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eri_mme_lattice_summation.F
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1 !--------------------------------------------------------------------------------------------------!
2 ! CP2K: A general program to perform molecular dynamics simulations !
3 ! Copyright 2000-2024 CP2K developers group <https://cp2k.org> !
4 ! !
5 ! SPDX-License-Identifier: GPL-2.0-or-later !
6 !--------------------------------------------------------------------------------------------------!
7 
8 ! **************************************************************************************************
9 !> \brief Ewald sums to represent integrals in direct and reciprocal lattice.
10 !> \par History
11 !> 2015 09 created
12 !> \author Patrick Seewald
13 ! **************************************************************************************************
14 
15 MODULE eri_mme_lattice_summation
16 
17  USE ao_util, ONLY: exp_radius
18  USE eri_mme_gaussian, ONLY: create_gaussian_overlap_dist_to_hermite, &
19  create_hermite_to_cartesian, &
20  eri_mme_coulomb, eri_mme_yukawa, &
21  eri_mme_longrange
22  USE kinds, ONLY: dp, &
23  int_8
24  USE mathconstants, ONLY: gaussi, &
25  pi, &
26  twopi
27  USE orbital_pointers, ONLY: coset, &
28  indco, &
29  ncoset
30 #include "../base/base_uses.f90"
31 
32  IMPLICIT NONE
33 
34  PRIVATE
35 
36  LOGICAL, PRIVATE, PARAMETER :: debug_this_module = .false.
37 
38  CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'eri_mme_lattice_summation'
39 
40  PUBLIC :: &
41  ellipsoid_bounds, &
42  eri_mme_2c_get_bounds, &
43  eri_mme_2c_get_rads, &
44  eri_mme_3c_get_bounds, &
45  eri_mme_3c_get_rads, &
46  get_l, &
47  pgf_sum_2c_gspace_1d, &
48  pgf_sum_2c_gspace_1d_deltal, &
49  pgf_sum_2c_gspace_3d, &
50  pgf_sum_2c_rspace_1d, &
51  pgf_sum_2c_rspace_3d, &
52  pgf_sum_3c_1d, &
53  pgf_sum_3c_3d
54 
55  INTEGER, PARAMETER, PRIVATE :: exp_w = 50, div_w = 10
56 
57 CONTAINS
58 
59 ! **************************************************************************************************
60 !> \brief Get summation radii for 2c integrals
61 !> \param la_max ...
62 !> \param lb_max ...
63 !> \param zeta ...
64 !> \param zetb ...
65 !> \param a_mm ...
66 !> \param G_min ...
67 !> \param R_min ...
68 !> \param sum_precision ...
69 !> \param G_rad ...
70 !> \param R_rad ...
71 ! **************************************************************************************************
72  SUBROUTINE eri_mme_2c_get_rads(la_max, lb_max, zeta, zetb, a_mm, G_min, R_min, sum_precision, G_rad, R_rad)
73  INTEGER, INTENT(IN) :: la_max, lb_max
74  REAL(kind=dp), INTENT(IN) :: zeta, zetb, a_mm, g_min, r_min, &
75  sum_precision
76  REAL(kind=dp), INTENT(OUT), OPTIONAL :: g_rad, r_rad
77 
78  INTEGER :: l_max
79  REAL(kind=dp) :: alpha_g, alpha_r, g_res, r_res
80 
81  l_max = la_max + lb_max
82  alpha_g = a_mm + 0.25_dp/zeta + 0.25_dp/zetb
83  alpha_r = 0.25_dp/alpha_g
84 
85  g_res = 0.5_dp*g_min
86  r_res = 0.5_dp*r_min
87 
88  IF (PRESENT(g_rad)) g_rad = exp_radius(l_max, alpha_g, sum_precision, 1.0_dp, epsabs=g_res)
89  IF (PRESENT(r_rad)) r_rad = exp_radius(l_max, alpha_r, sum_precision, 1.0_dp, epsabs=r_res)
90 
91  END SUBROUTINE
92 
93 ! **************************************************************************************************
94 !> \brief Get summation radii for 3c integrals
95 !> \param la_max ...
96 !> \param lb_max ...
97 !> \param lc_max ...
98 !> \param zeta ...
99 !> \param zetb ...
100 !> \param zetc ...
101 !> \param a_mm ...
102 !> \param G_min ...
103 !> \param R_min ...
104 !> \param sum_precision ...
105 !> \param G_rads_1 ...
106 !> \param R_rads_2 ...
107 !> \param R_rads_3 ...
108 ! **************************************************************************************************
109  SUBROUTINE eri_mme_3c_get_rads(la_max, lb_max, lc_max, zeta, zetb, zetc, a_mm, G_min, R_min, &
110  sum_precision, G_rads_1, R_rads_2, R_rads_3)
111  INTEGER, INTENT(IN) :: la_max, lb_max, lc_max
112  REAL(kind=dp), INTENT(IN) :: zeta, zetb, zetc, a_mm
113  REAL(kind=dp), INTENT(IN), OPTIONAL :: g_min, r_min
114  REAL(kind=dp), INTENT(IN) :: sum_precision
115  REAL(kind=dp), DIMENSION(3), INTENT(OUT), OPTIONAL :: g_rads_1, r_rads_2
116  REAL(kind=dp), DIMENSION(2), INTENT(OUT), OPTIONAL :: r_rads_3
117 
118  REAL(kind=dp) :: alpha, alpha_r, beta, g_res, gamma, r_res
119 
120  ! exponents in G space
121  alpha = 0.25_dp/zeta
122  beta = 0.25_dp/zetb
123  gamma = 0.25_dp/zetc + a_mm
124 
125  ! Summation radii and number of summands for all lattice summation methods
126  ! sum method 1
127  IF (PRESENT(g_rads_1)) THEN
128  g_res = 0.5_dp*g_min
129  g_rads_1(1) = exp_radius(la_max, alpha, sum_precision, 1.0_dp, g_res)
130  g_rads_1(2) = exp_radius(lb_max, beta, sum_precision, 1.0_dp, g_res)
131  g_rads_1(3) = exp_radius(lc_max, gamma, sum_precision, 1.0_dp, g_res)
132  END IF
133 
134  ! sum method 2
135  IF (PRESENT(r_rads_2)) THEN
136  r_res = 0.5_dp*r_min
137  r_rads_2(1) = exp_radius(lb_max + lc_max, 0.25_dp/(beta + gamma), sum_precision, 1.0_dp, epsabs=r_res)
138  r_rads_2(2) = exp_radius(lc_max + la_max, 0.25_dp/(alpha + gamma), sum_precision, 1.0_dp, epsabs=r_res)
139  r_rads_2(3) = exp_radius(lb_max + la_max, 0.25_dp/(alpha + beta), sum_precision, 1.0_dp, epsabs=r_res)
140  END IF
141 
142  ! sum method 3
143 
144  IF (PRESENT(r_rads_3)) THEN
145  r_res = 0.5_dp*r_min
146  alpha_r = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
147  r_rads_3(1) = exp_radius(la_max + lb_max, zeta*zetb/(zeta + zetb), sum_precision, 1.0_dp, r_res)
148  r_rads_3(2) = exp_radius(la_max + lb_max + lc_max, alpha_r, sum_precision, 1.0_dp, r_res)
149  END IF
150 
151  END SUBROUTINE
152 
153 ! **************************************************************************************************
154 !> \brief Get summation bounds for 2c integrals
155 !> \param hmat ...
156 !> \param h_inv ...
157 !> \param vol ...
158 !> \param is_ortho ...
159 !> \param G_min ...
160 !> \param R_min ...
161 !> \param la_max ...
162 !> \param lb_max ...
163 !> \param zeta ...
164 !> \param zetb ...
165 !> \param a_mm ...
166 !> \param sum_precision ...
167 !> \param n_sum_1d ...
168 !> \param n_sum_3d ...
169 !> \param G_bounds ...
170 !> \param G_rad ...
171 !> \param R_bounds ...
172 !> \param R_rad ...
173 ! **************************************************************************************************
174  SUBROUTINE eri_mme_2c_get_bounds(hmat, h_inv, vol, is_ortho, G_min, R_min, la_max, lb_max, &
175  zeta, zetb, a_mm, sum_precision, n_sum_1d, n_sum_3d, &
176  G_bounds, G_rad, R_bounds, R_rad)
177  REAL(kind=dp), DIMENSION(3, 3), INTENT(IN) :: hmat, h_inv
178  REAL(kind=dp), INTENT(IN) :: vol
179  LOGICAL, INTENT(IN) :: is_ortho
180  REAL(kind=dp), INTENT(IN) :: g_min, r_min
181  INTEGER, INTENT(IN) :: la_max, lb_max
182  REAL(kind=dp), INTENT(IN) :: zeta, zetb, a_mm, sum_precision
183  INTEGER(KIND=int_8), DIMENSION(2, 3), INTENT(OUT) :: n_sum_1d
184  INTEGER(KIND=int_8), DIMENSION(2), INTENT(OUT) :: n_sum_3d
185  REAL(kind=dp), DIMENSION(3), INTENT(OUT) :: g_bounds
186  REAL(kind=dp), INTENT(OUT) :: g_rad
187  REAL(kind=dp), DIMENSION(3), INTENT(OUT) :: r_bounds
188  REAL(kind=dp), INTENT(OUT) :: r_rad
189 
190  INTEGER :: i_xyz
191  REAL(kind=dp) :: ns_g, ns_r, vol_g
192 
193  CALL eri_mme_2c_get_rads(la_max, lb_max, zeta, zetb, a_mm, g_min, r_min, sum_precision, g_rad, r_rad)
194 
195  g_bounds = ellipsoid_bounds(g_rad, transpose(hmat)/(2.0_dp*pi))
196  r_bounds = ellipsoid_bounds(r_rad, h_inv)
197 
198  vol_g = twopi**3/vol
199 
200  IF (is_ortho) THEN
201  DO i_xyz = 1, 3
202  ns_g = 2.0_dp*g_bounds(i_xyz)
203  ns_r = 2.0_dp*r_bounds(i_xyz)
204  n_sum_1d(1, i_xyz) = nsum_2c_gspace_1d(ns_g, la_max, lb_max)
205  n_sum_1d(2, i_xyz) = nsum_2c_rspace_1d(ns_r, la_max, lb_max)
206  END DO
207  ELSE
208  ns_g = 4._dp/3._dp*pi*g_rad**3/vol_g
209  ns_r = 4._dp/3._dp*pi*r_rad**3/vol
210  n_sum_3d(1) = nsum_2c_gspace_3d(ns_g, la_max, lb_max)
211  n_sum_3d(2) = nsum_2c_rspace_3d(ns_r, la_max, lb_max)
212  END IF
213 
214  END SUBROUTINE
215 
216 ! **************************************************************************************************
217 !> \brief Get summation bounds for 3c integrals
218 !> \param hmat ...
219 !> \param h_inv ...
220 !> \param vol ...
221 !> \param is_ortho ...
222 !> \param G_min ...
223 !> \param R_min ...
224 !> \param la_max ...
225 !> \param lb_max ...
226 !> \param lc_max ...
227 !> \param zeta ...
228 !> \param zetb ...
229 !> \param zetc ...
230 !> \param a_mm ...
231 !> \param sum_precision ...
232 !> \param n_sum_1d ...
233 !> \param n_sum_3d ...
234 !> \param G_bounds_1 ...
235 !> \param G_rads_1 ...
236 !> \param R_bounds_2 ...
237 !> \param R_rads_2 ...
238 !> \param R_bounds_3 ...
239 !> \param R_rads_3 ...
240 ! **************************************************************************************************
241  SUBROUTINE eri_mme_3c_get_bounds(hmat, h_inv, vol, is_ortho, G_min, R_min, la_max, lb_max, lc_max, &
242  zeta, zetb, zetc, a_mm, sum_precision, n_sum_1d, n_sum_3d, &
243  G_bounds_1, G_rads_1, R_bounds_2, R_rads_2, R_bounds_3, R_rads_3)
244  REAL(kind=dp), DIMENSION(3, 3), INTENT(IN) :: hmat, h_inv
245  REAL(kind=dp), INTENT(IN) :: vol
246  LOGICAL, INTENT(IN) :: is_ortho
247  REAL(kind=dp), INTENT(IN) :: g_min, r_min
248  INTEGER, INTENT(IN) :: la_max, lb_max, lc_max
249  REAL(kind=dp), INTENT(IN) :: zeta, zetb, zetc, a_mm, sum_precision
250  INTEGER(KIND=int_8), DIMENSION(3, 3), INTENT(OUT) :: n_sum_1d
251  INTEGER(KIND=int_8), DIMENSION(3), INTENT(OUT) :: n_sum_3d
252  REAL(kind=dp), DIMENSION(3, 3) :: g_bounds_1
253  REAL(kind=dp), DIMENSION(3), INTENT(OUT) :: g_rads_1
254  REAL(kind=dp), DIMENSION(3, 3) :: r_bounds_2
255  REAL(kind=dp), DIMENSION(3), INTENT(OUT) :: r_rads_2
256  REAL(kind=dp), DIMENSION(2, 3) :: r_bounds_3
257  REAL(kind=dp), DIMENSION(2), INTENT(OUT) :: r_rads_3
258 
259  INTEGER :: i, i_xyz, order_1, order_2
260  REAL(kind=dp) :: ns1_g1, ns1_g2, ns2_g, ns2_r, ns3_r1, &
261  ns3_r2, vol_g
262  CALL eri_mme_3c_get_rads(la_max, lb_max, lc_max, zeta, zetb, zetc, a_mm, g_min, r_min, sum_precision, &
263  g_rads_1=g_rads_1, r_rads_2=r_rads_2, r_rads_3=r_rads_3)
264 
265  vol_g = twopi**3/vol
266 
267  order_1 = maxloc(g_rads_1, dim=1)
268  order_2 = minloc(g_rads_1, dim=1)
269 
270  DO i = 1, 3
271  g_bounds_1(i, :) = ellipsoid_bounds(g_rads_1(i), transpose(hmat)/(2.0_dp*pi))
272  END DO
273 
274  DO i = 1, 3
275  r_bounds_2(i, :) = ellipsoid_bounds(r_rads_2(i), h_inv)
276  END DO
277 
278  DO i = 1, 2
279  r_bounds_3(i, :) = ellipsoid_bounds(r_rads_3(i), h_inv)
280  END DO
281 
282  IF (is_ortho) THEN
283  DO i_xyz = 1, 3
284 
285  ns3_r1 = 2.0_dp*r_bounds_3(1, i_xyz)
286  ns3_r2 = 2.0_dp*r_bounds_3(2, i_xyz)
287 
288  n_sum_1d(3, i_xyz) = nsum_3c_rspace_1d(ns3_r1, ns3_r2)
289  END DO
290 
291  ELSE
292 
293  order_1 = maxloc(g_rads_1, dim=1)
294  order_2 = minloc(g_rads_1, dim=1)
295 
296  SELECT CASE (order_1)
297  CASE (1)
298  ns1_g1 = 4._dp/3._dp*pi*g_rads_1(2)**3/vol_g
299  ns1_g2 = 4._dp/3._dp*pi*g_rads_1(3)**3/vol_g
300  CASE (2)
301  ns1_g1 = 4._dp/3._dp*pi*g_rads_1(1)**3/vol_g
302  ns1_g2 = 4._dp/3._dp*pi*g_rads_1(3)**3/vol_g
303  CASE (3)
304  ns1_g1 = 4._dp/3._dp*pi*g_rads_1(1)**3/vol_g
305  ns1_g2 = 4._dp/3._dp*pi*g_rads_1(2)**3/vol_g
306  END SELECT
307 
308  n_sum_3d(1) = nsum_3c_gspace_3d(ns1_g1, ns1_g2, la_max, lb_max, lc_max)
309 
310  ns2_g = 4._dp/3._dp*pi*g_rads_1(order_2)**3/vol_g
311  ns2_r = 4._dp/3._dp*pi*r_rads_2(order_2)**3/vol
312 
313  ns3_r1 = 4._dp/3._dp*pi*r_rads_3(1)**3/vol
314  ns3_r2 = 4._dp/3._dp*pi*r_rads_3(2)**3/vol
315 
316  SELECT CASE (order_2)
317  CASE (1)
318  n_sum_3d(2) = nsum_product_3c_gspace_3d(ns2_g, ns2_r, la_max, lb_max, lc_max)
319  CASE (2)
320  n_sum_3d(2) = nsum_product_3c_gspace_3d(ns2_g, ns2_r, lb_max, la_max, lc_max)
321  CASE (3)
322  n_sum_3d(2) = nsum_product_3c_gspace_3d(ns2_g, ns2_r, lc_max, lb_max, la_max)
323  END SELECT
324 
325  n_sum_3d(3) = nsum_3c_rspace_3d(ns3_r1, ns3_r2, la_max, lb_max, lc_max)
326  END IF
327 
328  END SUBROUTINE
329 
330 ! **************************************************************************************************
331 !> \brief Roughly estimated number of floating point operations
332 !> \param ns_G ...
333 !> \param l ...
334 !> \param m ...
335 !> \return ...
336 ! **************************************************************************************************
337  PURE FUNCTION nsum_2c_gspace_1d(ns_G, l, m)
338  REAL(kind=dp), INTENT(IN) :: ns_g
339  INTEGER, INTENT(IN) :: l, m
340  INTEGER(KIND=int_8) :: nsum_2c_gspace_1d
341 
342  nsum_2c_gspace_1d = nint(ns_g*(2*exp_w + (l + m + 1)*5), kind=int_8)
343  END FUNCTION
344 
345 ! **************************************************************************************************
346 !> \brief Compute Ewald-like sum for 2-center ERIs in G space in 1 dimension
347 !> S_G(l, alpha) = (-i)^l*inv_lgth*sum_G( C(l, alpha, G) exp(iGR) ), with
348 !> C(l, alpha, r) = r^l exp(-alpha*r^2),
349 !> dG = inv_lgth*twopi and G = -G_bound*dG, (-G_bound + 1)*dG, ..., G_bound*dG
350 !> for all l < = l_max.
351 !> \param S_G ...
352 !> \param R ...
353 !> \param alpha ...
354 !> \param inv_lgth ...
355 !> \param G_c ...
356 !> \note S_G is real.
357 ! **************************************************************************************************
358  PURE SUBROUTINE pgf_sum_2c_gspace_1d(S_G, R, alpha, inv_lgth, G_c)
359  REAL(kind=dp), DIMENSION(0:), INTENT(OUT) :: s_g
360  REAL(kind=dp), INTENT(IN) :: r, alpha, inv_lgth, g_c
361 
362  COMPLEX(KIND=dp) :: exp_tot
363  COMPLEX(KIND=dp), ALLOCATABLE, DIMENSION(:) :: s_g_c
364  INTEGER :: gg, l, l_max
365  REAL(kind=dp) :: dg, g, g_pow_l
366 
367  dg = inv_lgth*twopi
368  l_max = ubound(s_g, 1)
369 
370  ALLOCATE (s_g_c(0:l_max))
371  s_g_c(:) = 0.0_dp
372  DO gg = -floor(g_c), floor(g_c)
373  g = gg*dg
374  exp_tot = exp(-alpha*g**2)*exp(gaussi*g*r) ! cost: 2 exp_w flops
375  g_pow_l = 1.0_dp
376  DO l = 0, l_max
377  s_g_c(l) = s_g_c(l) + g_pow_l*(-1.0_dp)**l*exp_tot ! cost: 4 flops
378  g_pow_l = g_pow_l*g ! cost: 1 flop
379  END DO
380  END DO
381 
382  s_g(:) = real(s_g_c(0:l_max)*i_pow((/(l, l=0, l_max)/)))*inv_lgth
383  END SUBROUTINE pgf_sum_2c_gspace_1d
384 
385 ! **************************************************************************************************
386 !> \brief Roughly estimated number of floating point operations
387 !> \param ns_G ...
388 !> \param l ...
389 !> \param m ...
390 !> \return ...
391 ! **************************************************************************************************
392  PURE FUNCTION nsum_2c_gspace_3d(ns_G, l, m)
393  REAL(kind=dp), INTENT(IN) :: ns_g
394  INTEGER, INTENT(IN) :: l, m
395  INTEGER(KIND=int_8) :: nsum_2c_gspace_3d
396 
397  nsum_2c_gspace_3d = nint(ns_g*(2*exp_w + ncoset(l + m)*7), kind=int_8)
398  END FUNCTION
399 
400 ! **************************************************************************************************
401 !> \brief As pgf_sum_2c_gspace_1d but 3d sum required for non-orthorhombic cells
402 !> \param S_G ...
403 !> \param l_max ...
404 !> \param R ...
405 !> \param alpha ...
406 !> \param h_inv ...
407 !> \param G_c ...
408 !> \param G_rad ...
409 !> \param vol ...
410 !> \param coulomb ...
411 !> \note MMME Method is not very efficient for non-orthorhombic cells
412 ! **************************************************************************************************
413  PURE SUBROUTINE pgf_sum_2c_gspace_3d(S_G, l_max, R, alpha, h_inv, G_c, G_rad, vol, potential, pot_par)
414  REAL(kind=dp), DIMENSION(:), INTENT(OUT) :: s_g
415  INTEGER, INTENT(IN) :: l_max
416  REAL(kind=dp), DIMENSION(3), INTENT(IN) :: r
417  REAL(kind=dp), INTENT(IN) :: alpha
418  REAL(kind=dp), DIMENSION(3, 3), INTENT(IN) :: h_inv
419  REAL(kind=dp), DIMENSION(3), INTENT(IN) :: g_c
420  REAL(kind=dp), INTENT(IN) :: g_rad, vol
421  INTEGER, INTENT(IN), OPTIONAL :: potential
422  REAL(kind=dp), INTENT(IN), OPTIONAL :: pot_par
423 
424  COMPLEX(KIND=dp) :: exp_tot
425  INTEGER, DIMENSION(3) :: l_xyz
426  INTEGER :: gx, gy, gz, k, l, lco, lx, ly, lz
427  COMPLEX(KIND=dp), DIMENSION(ncoset(l_max)) :: ig
428  REAL(kind=dp) :: g_rads_sq, g_sq
429  REAL(kind=dp), DIMENSION(3) :: g, g_x, g_y, g_z
430  REAL(kind=dp), DIMENSION(3, 0:l_max) :: g_pow_l
431  REAL(kind=dp), DIMENSION(3, 3) :: ht
432 
433  ht = twopi*transpose(h_inv)
434  ig(:) = 0.0_dp
435 
436  g_rads_sq = g_rad**2
437 
438  DO gx = -floor(g_c(1)), floor(g_c(1))
439  g_x = ht(:, 1)*gx
440  DO gy = -floor(g_c(2)), floor(g_c(2))
441  g_y = ht(:, 2)*gy
442  DO gz = -floor(g_c(3)), floor(g_c(3))
443  g_z = ht(:, 3)*gz
444 
445  g = g_x + g_y + g_z
446  g_sq = g(1)**2 + g(2)**2 + g(3)**2
447  IF (g_sq .GT. g_rads_sq) cycle
448 
449  IF (PRESENT(potential)) THEN
450  IF (gx .EQ. 0 .AND. gy .EQ. 0 .AND. gz .EQ. 0) cycle
451  END IF
452 
453  exp_tot = exp(-alpha*g_sq)*exp(gaussi*dot_product(g, r)) ! cost: 2 exp_w flops
454  IF (PRESENT(potential)) THEN
455  SELECT CASE (potential)
456  CASE (eri_mme_coulomb)
457  exp_tot = exp_tot/g_sq
458  CASE (eri_mme_yukawa)
459  exp_tot = exp_tot/(g_sq + pot_par**2)
460  !exp_tot = exp_tot/G_sq
461  CASE (eri_mme_longrange)
462  exp_tot = exp_tot/g_sq*exp(-g_sq/pot_par**2)
463  END SELECT
464  END IF
465  DO k = 1, 3
466  g_pow_l(k, 0) = 1.0_dp
467  DO l = 1, l_max
468  g_pow_l(k, l) = g_pow_l(k, l - 1)*g(k)
469  END DO
470  END DO
471  DO lco = 1, ncoset(l_max)
472  CALL get_l(lco, l, lx, ly, lz)
473  l_xyz = [lx, ly, lz]
474  ig(coset(lx, ly, lz)) = ig(coset(lx, ly, lz)) + & ! cost: 7 flops
475  g_pow_l(1, lx)*g_pow_l(2, ly)*g_pow_l(3, lz)* &
476  exp_tot*(-1.0_dp)**l*i_pow(l)
477  END DO
478  END DO
479  END DO
480  END DO
481  s_g(:) = real(ig(:), kind=dp)/vol
482  END SUBROUTINE pgf_sum_2c_gspace_3d
483 
484 ! **************************************************************************************************
485 !> \brief Roughly estimated number of floating point operations
486 !> \param ns_R ...
487 !> \param l ...
488 !> \param m ...
489 !> \return ...
490 ! **************************************************************************************************
491  PURE FUNCTION nsum_2c_rspace_1d(ns_R, l, m)
492  REAL(kind=dp), INTENT(IN) :: ns_r
493  INTEGER, INTENT(IN) :: l, m
494  INTEGER(KIND=int_8) :: nsum_2c_rspace_1d
495 
496  nsum_2c_rspace_1d = nint(ns_r*(exp_w + (l + m + 1)*3), kind=int_8)
497  END FUNCTION
498 
499 ! **************************************************************************************************
500 !> \brief Compute Ewald-like sum for 2-center ERIs in R space in 1 dimension
501 !> S_R(l, alpha) = SQRT(alpha/pi) sum_R'( H(l, alpha, R-R') ),
502 !> with H(l, alpha, R) = (-d/dR)^l exp(-alpha*R^2),
503 !> dR = lgth and R' = -R_min*dR, (-R_min + 1)*dR, ..., R_max*dR,
504 !> for all l < = l_max.
505 !> \param S_R ...
506 !> \param R ...
507 !> \param alpha ...
508 !> \param lgth ...
509 !> \param R_c ...
510 !> \note result is equivalent to pgf_sum_2c_gspace_1d with
511 !> S_R(l, alpha) = S_G(l, 1/(4*alpha))
512 ! **************************************************************************************************
513  PURE SUBROUTINE pgf_sum_2c_rspace_1d(S_R, R, alpha, lgth, R_c)
514  REAL(kind=dp), DIMENSION(0:), INTENT(OUT) :: s_r
515  REAL(kind=dp), INTENT(IN) :: r, alpha, lgth, r_c
516 
517  INTEGER :: l, l_max, rr
518  REAL(kind=dp) :: dr, exp_tot, r_pow_l, rp
519  REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :) :: h_to_c
520 
521  dr = lgth
522  l_max = ubound(s_r, 1)
523 
524  ! 1) compute sum over C(l, alpha, R - R') instead of H(l, alpha, R - R')
525  s_r(:) = 0.0_dp
526  rp = r - r_c*dr
527  DO rr = ceiling(-r_c - r/dr), floor(r_c - r/dr)
528  rp = r + rr*dr
529  exp_tot = exp(-alpha*rp**2) ! cost: exp_w flops
530  r_pow_l = 1.0_dp
531  DO l = 0, l_max
532  s_r(l) = s_r(l) + r_pow_l*exp_tot ! cost: 2 flops
533  r_pow_l = r_pow_l*rp ! cost: 1 flop
534  END DO
535  END DO
536 
537  ! 2) C --> H
538  CALL create_hermite_to_cartesian(alpha, l_max, h_to_c)
539  s_r = matmul(transpose(h_to_c(0:l_max, 0:l_max)), s_r)*sqrt(alpha/pi)
540  END SUBROUTINE pgf_sum_2c_rspace_1d
541 
542 ! **************************************************************************************************
543 !> \brief Roughly estimated number of floating point operations
544 !> \param ns_R ...
545 !> \param l ...
546 !> \param m ...
547 !> \return ...
548 ! **************************************************************************************************
549  PURE FUNCTION nsum_2c_rspace_3d(ns_R, l, m)
550  REAL(kind=dp), INTENT(IN) :: ns_r
551  INTEGER, INTENT(IN) :: l, m
552  INTEGER(KIND=int_8) :: nsum_2c_rspace_3d
553 
554  nsum_2c_rspace_3d = nint(ns_r*(exp_w + ncoset(l + m)*(4 + ncoset(l + m)*4)), kind=int_8)
555  END FUNCTION
556 
557 ! **************************************************************************************************
558 !> \brief As pgf_sum_2c_rspace_1d but 3d sum required for non-orthorhombic cells
559 !> \param S_R ...
560 !> \param l_max ...
561 !> \param R ...
562 !> \param alpha ...
563 !> \param hmat ...
564 !> \param h_inv ...
565 !> \param R_c ...
566 !> \param R_rad ...
567 !> \note MMME Method is not very efficient for non-orthorhombic cells
568 ! **************************************************************************************************
569  PURE SUBROUTINE pgf_sum_2c_rspace_3d(S_R, l_max, R, alpha, hmat, h_inv, R_c, R_rad)
570  REAL(kind=dp), DIMENSION(:), INTENT(OUT) :: s_r
571  INTEGER, INTENT(IN) :: l_max
572  REAL(kind=dp), DIMENSION(3), INTENT(IN) :: r
573  REAL(kind=dp), INTENT(IN) :: alpha
574  REAL(kind=dp), DIMENSION(3, 3), INTENT(IN) :: hmat, h_inv
575  REAL(kind=dp), DIMENSION(3), INTENT(IN) :: r_c
576  REAL(kind=dp), INTENT(IN) :: r_rad
577 
578  INTEGER :: k, l, lco, llx, lly, llz, lx, ly, lz, &
579  sx, sy, sz
580  REAL(kind=dp) :: exp_tot, r_rad_sq, r_sq
581  REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :) :: h_to_c
582  REAL(kind=dp), DIMENSION(3) :: r_l, r_r, rp, rx, ry, rz, s_shift
583  REAL(kind=dp), DIMENSION(3, 0:l_max) :: r_pow_l
584  REAL(kind=dp), DIMENSION(ncoset(l_max)) :: s_r_c
585 
586  s_r(:) = 0.0_dp
587  s_r_c(:) = 0.0_dp
588 
589  s_shift = matmul(h_inv, -r)
590  r_l = -r_c + s_shift
591  r_r = r_c + s_shift
592 
593  r_rad_sq = r_rad**2
594 
595  DO sx = ceiling(r_l(1)), floor(r_r(1))
596  rx = hmat(:, 1)*sx
597  DO sy = ceiling(r_l(2)), floor(r_r(2))
598  ry = hmat(:, 2)*sy
599  DO sz = ceiling(r_l(3)), floor(r_r(3))
600  rz = hmat(:, 3)*sz
601  rp = rx + ry + rz
602  r_sq = (rp(1) + r(1))**2 + (rp(2) + r(2))**2 + (rp(3) + r(3))**2
603  IF (r_sq .GT. r_rad_sq) cycle
604  exp_tot = exp(-alpha*r_sq) ! cost: exp_w flops
605  DO k = 1, 3
606  r_pow_l(k, 0) = 1.0_dp
607  DO l = 1, l_max
608  r_pow_l(k, l) = r_pow_l(k, l - 1)*(rp(k) + r(k))
609  END DO
610  END DO
611  DO lco = 1, ncoset(l_max)
612  CALL get_l(lco, l, lx, ly, lz)
613  s_r_c(coset(lx, ly, lz)) = s_r_c(coset(lx, ly, lz)) + r_pow_l(1, lx)*r_pow_l(2, ly)*r_pow_l(3, lz)*exp_tot ! cost: 4 flops
614  END DO
615  END DO
616  END DO
617  END DO
618 
619  CALL create_hermite_to_cartesian(alpha, l_max, h_to_c)
620 
621  DO lco = 1, ncoset(l_max)
622  CALL get_l(lco, l, lx, ly, lz)
623 
624  DO llx = 0, lx
625  DO lly = 0, ly
626  DO llz = 0, lz
627  s_r(coset(lx, ly, lz)) = s_r(coset(lx, ly, lz)) + & ! cost: 4 flops
628  h_to_c(llx, lx)*h_to_c(lly, ly)*h_to_c(llz, lz)* &
629  s_r_c(coset(llx, lly, llz))
630  END DO
631  END DO
632  END DO
633  END DO
634  s_r(:) = s_r(:)*(alpha/pi)**1.5_dp
635 
636  END SUBROUTINE pgf_sum_2c_rspace_3d
637 
638 ! **************************************************************************************************
639 !> \brief Compute 1d sum
640 !> S_G(l, alpha) = inv_lgth*sum_G( C(l, alpha, delta_l, G) ) with
641 !> C(l, alpha, delta_l, G) = prefactor*|G|^(l-delta_l) exp(-alpha*G^2)
642 !> if G not equal 0
643 !> C(l = 0, alpha, delta_l, 0) = 1, C(l>0, alpha, delta_l, 0) = 0
644 !> dG = inv_lgth*twopi and G = -G_bound*dG, (-G_bound + 1)*dG, ..., G_bound*dG
645 !> for all l < = l_max.
646 !> \param S_G ...
647 !> \param alpha ...
648 !> \param inv_lgth ...
649 !> \param G_min ...
650 !> \param G_c ...
651 !> \param delta_l ...
652 !> \param prefactor ...
653 !> \note needed for cutoff error estimate
654 ! **************************************************************************************************
655  PURE SUBROUTINE pgf_sum_2c_gspace_1d_deltal(S_G, alpha, inv_lgth, G_min, G_c, delta_l, prefactor)
656  REAL(kind=dp), DIMENSION(0:), INTENT(OUT) :: s_g
657  REAL(kind=dp), INTENT(IN) :: alpha, inv_lgth
658  INTEGER, INTENT(IN) :: g_min, g_c
659  REAL(kind=dp), INTENT(IN) :: delta_l, prefactor
660 
661  INTEGER :: k, k0, k1, l, l_max
662  REAL(kind=dp) :: dg, exp_tot, g, prefac
663 
664  prefac = prefactor*inv_lgth
665  dg = inv_lgth*twopi ! positive
666  l_max = ubound(s_g, 1)
667 
668  s_g(:) = 0.0_dp
669  IF (0 .LT. g_min) THEN
670  k0 = g_min; k1 = 0
671  ELSE IF (g_c .LT. 0) THEN
672  k0 = 0; k1 = g_c
673  ELSE ! Gmin <= 0 /\ 0 <= Gc
674  s_g(0) = prefac
675  k0 = 1; k1 = -1
676  END IF
677  ! positive range
678  IF (0 .LT. k0) THEN
679  DO k = k0, g_c
680  g = k*dg; exp_tot = exp(-alpha*g**2)*prefac
681  DO l = 0, l_max
682  s_g(l) = s_g(l) + g**(l - delta_l)*exp_tot
683  END DO
684  END DO
685  END IF
686  ! negative range
687  IF (k1 .LT. 0) THEN
688  DO k = g_min, k1
689  g = k*dg; exp_tot = exp(-alpha*g**2)*prefac
690  DO l = 0, l_max
691  s_g(l) = s_g(l) + abs(g)**(l - delta_l)*exp_tot
692  END DO
693  END DO
694  END IF
695  END SUBROUTINE pgf_sum_2c_gspace_1d_deltal
696 
697 ! **************************************************************************************************
698 !> \brief Compute Ewald-like sum for 3-center integrals in 1 dimension
699 !> S_G(l, m, n, alpha, beta, gamma) = i^(l+m+n)*(-1)^(l+m)*inv_lgth^2*
700 !> sum_G sum_G'( exp(i G R1)
701 !> C(l,alpha,G) C(m,beta,G'-G) C(n,gamma,G') exp(i G' R2) )
702 !> for all l < = l_max, m <= m_max, n <= n_max.
703 !> a_mm is the minimax exponent.
704 !> alpha = 1/(4 zeta), beta = 1/(4 zetb), gamma = 1/(4 zetc) + a_mm
705 !> R1 = RB-RA; R2 = RC-RB
706 !> Note on method / order arguments:
707 !> Three equivalent methods (Poisson summation) to compute this sum over
708 !> Cartesian Gaussians C or Hermite Gaussians H and
709 !> reciprocal lattice vectors G or direct lattice vectors R:
710 !> - method 1: sum_G sum_G' C(G) C(G,G') C(G')
711 !> - method 2: sum_G sum_R C(G) C(R)
712 !> - method 3: sum_R sum_R' H(R, R')
713 !> The order parameter selects the Gaussian functions over which the sum is performed
714 !> method 1: order = 1, 2, 3
715 !> method 2: order = 1, 2, 3
716 !> method 3: order = 1
717 !> If method and order are not present, the method / order that converges fastest is
718 !> automatically chosen.
719 !> \param S_G ...
720 !> \param RA ...
721 !> \param RB ...
722 !> \param RC ...
723 !> \param zeta ...
724 !> \param zetb ...
725 !> \param zetc ...
726 !> \param a_mm ...
727 !> \param lgth ...
728 !> \param G_bounds_1 ...
729 !> \param R_bounds_2 ...
730 !> \param R_bounds_3 ...
731 !> \param method ...
732 !> \param method_out ...
733 !> \param order ...
734 ! **************************************************************************************************
735  SUBROUTINE pgf_sum_3c_1d(S_G, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_bounds_3)
736  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_g
737  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
738  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_bounds_3
739 
740  INTEGER :: l_max, m_max, n_max
741  INTEGER :: nr1, nr2
742  INTEGER :: prop_exp
743 
744  l_max = ubound(s_g, 1)
745  m_max = ubound(s_g, 2)
746  n_max = ubound(s_g, 3)
747 
748  nr1 = 2*floor(r_bounds_3(1)) + 1
749  nr2 = 2*floor(r_bounds_3(2)) + 1
750 
751  IF (nr1*nr2 > 1 + nr1*2) THEN
752  prop_exp = 1
753  ELSE
754  prop_exp = 0
755  END IF
756 
757  IF (maxval([l_max, m_max, n_max]) .GT. 4) THEN
758  CALL pgf_sum_3c_rspace_1d_generic(s_g, ra, rb, rc, zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
759  ELSE
760  IF (l_max == 0) THEN
761  IF (m_max == 0) THEN
762  IF (n_max == 0) THEN
763  IF (prop_exp == 0) THEN
764  CALL pgf_sum_3c_rspace_1d_0_0_0_exp_0 (s_g, ra, rb, rc, &
765  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
766  RETURN
767  END IF
768  IF (prop_exp == 1) THEN
769  CALL pgf_sum_3c_rspace_1d_0_0_0_exp_1 (s_g, ra, rb, rc, &
770  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
771  RETURN
772  END IF
773  END IF
774  IF (n_max == 1) THEN
775  IF (prop_exp == 0) THEN
776  CALL pgf_sum_3c_rspace_1d_0_0_1_exp_0 (s_g, ra, rb, rc, &
777  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
778  RETURN
779  END IF
780  IF (prop_exp == 1) THEN
781  CALL pgf_sum_3c_rspace_1d_0_0_1_exp_1 (s_g, ra, rb, rc, &
782  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
783  RETURN
784  END IF
785  END IF
786  IF (n_max == 2) THEN
787  IF (prop_exp == 0) THEN
788  CALL pgf_sum_3c_rspace_1d_0_0_2_exp_0 (s_g, ra, rb, rc, &
789  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
790  RETURN
791  END IF
792  IF (prop_exp == 1) THEN
793  CALL pgf_sum_3c_rspace_1d_0_0_2_exp_1 (s_g, ra, rb, rc, &
794  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
795  RETURN
796  END IF
797  END IF
798  IF (n_max == 3) THEN
799  IF (prop_exp == 0) THEN
800  CALL pgf_sum_3c_rspace_1d_0_0_3_exp_0 (s_g, ra, rb, rc, &
801  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
802  RETURN
803  END IF
804  IF (prop_exp == 1) THEN
805  CALL pgf_sum_3c_rspace_1d_0_0_3_exp_1 (s_g, ra, rb, rc, &
806  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
807  RETURN
808  END IF
809  END IF
810  IF (n_max == 4) THEN
811  IF (prop_exp == 0) THEN
812  CALL pgf_sum_3c_rspace_1d_0_0_4_exp_0 (s_g, ra, rb, rc, &
813  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
814  RETURN
815  END IF
816  IF (prop_exp == 1) THEN
817  CALL pgf_sum_3c_rspace_1d_0_0_4_exp_1 (s_g, ra, rb, rc, &
818  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
819  RETURN
820  END IF
821  END IF
822  END IF
823  IF (m_max == 1) THEN
824  IF (n_max == 0) THEN
825  IF (prop_exp == 0) THEN
826  CALL pgf_sum_3c_rspace_1d_0_1_0_exp_0 (s_g, ra, rb, rc, &
827  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
828  RETURN
829  END IF
830  IF (prop_exp == 1) THEN
831  CALL pgf_sum_3c_rspace_1d_0_1_0_exp_1 (s_g, ra, rb, rc, &
832  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
833  RETURN
834  END IF
835  END IF
836  IF (n_max == 1) THEN
837  IF (prop_exp == 0) THEN
838  CALL pgf_sum_3c_rspace_1d_0_1_1_exp_0 (s_g, ra, rb, rc, &
839  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
840  RETURN
841  END IF
842  IF (prop_exp == 1) THEN
843  CALL pgf_sum_3c_rspace_1d_0_1_1_exp_1 (s_g, ra, rb, rc, &
844  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
845  RETURN
846  END IF
847  END IF
848  IF (n_max == 2) THEN
849  IF (prop_exp == 0) THEN
850  CALL pgf_sum_3c_rspace_1d_0_1_2_exp_0 (s_g, ra, rb, rc, &
851  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
852  RETURN
853  END IF
854  IF (prop_exp == 1) THEN
855  CALL pgf_sum_3c_rspace_1d_0_1_2_exp_1 (s_g, ra, rb, rc, &
856  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
857  RETURN
858  END IF
859  END IF
860  IF (n_max == 3) THEN
861  IF (prop_exp == 0) THEN
862  CALL pgf_sum_3c_rspace_1d_0_1_3_exp_0 (s_g, ra, rb, rc, &
863  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
864  RETURN
865  END IF
866  IF (prop_exp == 1) THEN
867  CALL pgf_sum_3c_rspace_1d_0_1_3_exp_1 (s_g, ra, rb, rc, &
868  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
869  RETURN
870  END IF
871  END IF
872  IF (n_max == 4) THEN
873  IF (prop_exp == 0) THEN
874  CALL pgf_sum_3c_rspace_1d_0_1_4_exp_0 (s_g, ra, rb, rc, &
875  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
876  RETURN
877  END IF
878  IF (prop_exp == 1) THEN
879  CALL pgf_sum_3c_rspace_1d_0_1_4_exp_1 (s_g, ra, rb, rc, &
880  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
881  RETURN
882  END IF
883  END IF
884  END IF
885  IF (m_max == 2) THEN
886  IF (n_max == 0) THEN
887  IF (prop_exp == 0) THEN
888  CALL pgf_sum_3c_rspace_1d_0_2_0_exp_0 (s_g, ra, rb, rc, &
889  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
890  RETURN
891  END IF
892  IF (prop_exp == 1) THEN
893  CALL pgf_sum_3c_rspace_1d_0_2_0_exp_1 (s_g, ra, rb, rc, &
894  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
895  RETURN
896  END IF
897  END IF
898  IF (n_max == 1) THEN
899  IF (prop_exp == 0) THEN
900  CALL pgf_sum_3c_rspace_1d_0_2_1_exp_0 (s_g, ra, rb, rc, &
901  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
902  RETURN
903  END IF
904  IF (prop_exp == 1) THEN
905  CALL pgf_sum_3c_rspace_1d_0_2_1_exp_1 (s_g, ra, rb, rc, &
906  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
907  RETURN
908  END IF
909  END IF
910  IF (n_max == 2) THEN
911  IF (prop_exp == 0) THEN
912  CALL pgf_sum_3c_rspace_1d_0_2_2_exp_0 (s_g, ra, rb, rc, &
913  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
914  RETURN
915  END IF
916  IF (prop_exp == 1) THEN
917  CALL pgf_sum_3c_rspace_1d_0_2_2_exp_1 (s_g, ra, rb, rc, &
918  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
919  RETURN
920  END IF
921  END IF
922  IF (n_max == 3) THEN
923  IF (prop_exp == 0) THEN
924  CALL pgf_sum_3c_rspace_1d_0_2_3_exp_0 (s_g, ra, rb, rc, &
925  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
926  RETURN
927  END IF
928  IF (prop_exp == 1) THEN
929  CALL pgf_sum_3c_rspace_1d_0_2_3_exp_1 (s_g, ra, rb, rc, &
930  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
931  RETURN
932  END IF
933  END IF
934  IF (n_max == 4) THEN
935  IF (prop_exp == 0) THEN
936  CALL pgf_sum_3c_rspace_1d_0_2_4_exp_0 (s_g, ra, rb, rc, &
937  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
938  RETURN
939  END IF
940  IF (prop_exp == 1) THEN
941  CALL pgf_sum_3c_rspace_1d_0_2_4_exp_1 (s_g, ra, rb, rc, &
942  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
943  RETURN
944  END IF
945  END IF
946  END IF
947  IF (m_max == 3) THEN
948  IF (n_max == 0) THEN
949  IF (prop_exp == 0) THEN
950  CALL pgf_sum_3c_rspace_1d_0_3_0_exp_0 (s_g, ra, rb, rc, &
951  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
952  RETURN
953  END IF
954  IF (prop_exp == 1) THEN
955  CALL pgf_sum_3c_rspace_1d_0_3_0_exp_1 (s_g, ra, rb, rc, &
956  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
957  RETURN
958  END IF
959  END IF
960  IF (n_max == 1) THEN
961  IF (prop_exp == 0) THEN
962  CALL pgf_sum_3c_rspace_1d_0_3_1_exp_0 (s_g, ra, rb, rc, &
963  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
964  RETURN
965  END IF
966  IF (prop_exp == 1) THEN
967  CALL pgf_sum_3c_rspace_1d_0_3_1_exp_1 (s_g, ra, rb, rc, &
968  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
969  RETURN
970  END IF
971  END IF
972  IF (n_max == 2) THEN
973  IF (prop_exp == 0) THEN
974  CALL pgf_sum_3c_rspace_1d_0_3_2_exp_0 (s_g, ra, rb, rc, &
975  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
976  RETURN
977  END IF
978  IF (prop_exp == 1) THEN
979  CALL pgf_sum_3c_rspace_1d_0_3_2_exp_1 (s_g, ra, rb, rc, &
980  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
981  RETURN
982  END IF
983  END IF
984  IF (n_max == 3) THEN
985  IF (prop_exp == 0) THEN
986  CALL pgf_sum_3c_rspace_1d_0_3_3_exp_0 (s_g, ra, rb, rc, &
987  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
988  RETURN
989  END IF
990  IF (prop_exp == 1) THEN
991  CALL pgf_sum_3c_rspace_1d_0_3_3_exp_1 (s_g, ra, rb, rc, &
992  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
993  RETURN
994  END IF
995  END IF
996  IF (n_max == 4) THEN
997  IF (prop_exp == 0) THEN
998  CALL pgf_sum_3c_rspace_1d_0_3_4_exp_0 (s_g, ra, rb, rc, &
999  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1000  RETURN
1001  END IF
1002  IF (prop_exp == 1) THEN
1003  CALL pgf_sum_3c_rspace_1d_0_3_4_exp_1 (s_g, ra, rb, rc, &
1004  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1005  RETURN
1006  END IF
1007  END IF
1008  END IF
1009  IF (m_max == 4) THEN
1010  IF (n_max == 0) THEN
1011  IF (prop_exp == 0) THEN
1012  CALL pgf_sum_3c_rspace_1d_0_4_0_exp_0 (s_g, ra, rb, rc, &
1013  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1014  RETURN
1015  END IF
1016  IF (prop_exp == 1) THEN
1017  CALL pgf_sum_3c_rspace_1d_0_4_0_exp_1 (s_g, ra, rb, rc, &
1018  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1019  RETURN
1020  END IF
1021  END IF
1022  IF (n_max == 1) THEN
1023  IF (prop_exp == 0) THEN
1024  CALL pgf_sum_3c_rspace_1d_0_4_1_exp_0 (s_g, ra, rb, rc, &
1025  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1026  RETURN
1027  END IF
1028  IF (prop_exp == 1) THEN
1029  CALL pgf_sum_3c_rspace_1d_0_4_1_exp_1 (s_g, ra, rb, rc, &
1030  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1031  RETURN
1032  END IF
1033  END IF
1034  IF (n_max == 2) THEN
1035  IF (prop_exp == 0) THEN
1036  CALL pgf_sum_3c_rspace_1d_0_4_2_exp_0 (s_g, ra, rb, rc, &
1037  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1038  RETURN
1039  END IF
1040  IF (prop_exp == 1) THEN
1041  CALL pgf_sum_3c_rspace_1d_0_4_2_exp_1 (s_g, ra, rb, rc, &
1042  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1043  RETURN
1044  END IF
1045  END IF
1046  IF (n_max == 3) THEN
1047  IF (prop_exp == 0) THEN
1048  CALL pgf_sum_3c_rspace_1d_0_4_3_exp_0 (s_g, ra, rb, rc, &
1049  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1050  RETURN
1051  END IF
1052  IF (prop_exp == 1) THEN
1053  CALL pgf_sum_3c_rspace_1d_0_4_3_exp_1 (s_g, ra, rb, rc, &
1054  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1055  RETURN
1056  END IF
1057  END IF
1058  IF (n_max == 4) THEN
1059  IF (prop_exp == 0) THEN
1060  CALL pgf_sum_3c_rspace_1d_0_4_4_exp_0 (s_g, ra, rb, rc, &
1061  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1062  RETURN
1063  END IF
1064  IF (prop_exp == 1) THEN
1065  CALL pgf_sum_3c_rspace_1d_0_4_4_exp_1 (s_g, ra, rb, rc, &
1066  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1067  RETURN
1068  END IF
1069  END IF
1070  END IF
1071  END IF
1072  IF (l_max == 1) THEN
1073  IF (m_max == 0) THEN
1074  IF (n_max == 0) THEN
1075  IF (prop_exp == 0) THEN
1076  CALL pgf_sum_3c_rspace_1d_1_0_0_exp_0 (s_g, ra, rb, rc, &
1077  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1078  RETURN
1079  END IF
1080  IF (prop_exp == 1) THEN
1081  CALL pgf_sum_3c_rspace_1d_1_0_0_exp_1 (s_g, ra, rb, rc, &
1082  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1083  RETURN
1084  END IF
1085  END IF
1086  IF (n_max == 1) THEN
1087  IF (prop_exp == 0) THEN
1088  CALL pgf_sum_3c_rspace_1d_1_0_1_exp_0 (s_g, ra, rb, rc, &
1089  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1090  RETURN
1091  END IF
1092  IF (prop_exp == 1) THEN
1093  CALL pgf_sum_3c_rspace_1d_1_0_1_exp_1 (s_g, ra, rb, rc, &
1094  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1095  RETURN
1096  END IF
1097  END IF
1098  IF (n_max == 2) THEN
1099  IF (prop_exp == 0) THEN
1100  CALL pgf_sum_3c_rspace_1d_1_0_2_exp_0 (s_g, ra, rb, rc, &
1101  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1102  RETURN
1103  END IF
1104  IF (prop_exp == 1) THEN
1105  CALL pgf_sum_3c_rspace_1d_1_0_2_exp_1 (s_g, ra, rb, rc, &
1106  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1107  RETURN
1108  END IF
1109  END IF
1110  IF (n_max == 3) THEN
1111  IF (prop_exp == 0) THEN
1112  CALL pgf_sum_3c_rspace_1d_1_0_3_exp_0 (s_g, ra, rb, rc, &
1113  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1114  RETURN
1115  END IF
1116  IF (prop_exp == 1) THEN
1117  CALL pgf_sum_3c_rspace_1d_1_0_3_exp_1 (s_g, ra, rb, rc, &
1118  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1119  RETURN
1120  END IF
1121  END IF
1122  IF (n_max == 4) THEN
1123  IF (prop_exp == 0) THEN
1124  CALL pgf_sum_3c_rspace_1d_1_0_4_exp_0 (s_g, ra, rb, rc, &
1125  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1126  RETURN
1127  END IF
1128  IF (prop_exp == 1) THEN
1129  CALL pgf_sum_3c_rspace_1d_1_0_4_exp_1 (s_g, ra, rb, rc, &
1130  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1131  RETURN
1132  END IF
1133  END IF
1134  END IF
1135  IF (m_max == 1) THEN
1136  IF (n_max == 0) THEN
1137  IF (prop_exp == 0) THEN
1138  CALL pgf_sum_3c_rspace_1d_1_1_0_exp_0 (s_g, ra, rb, rc, &
1139  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1140  RETURN
1141  END IF
1142  IF (prop_exp == 1) THEN
1143  CALL pgf_sum_3c_rspace_1d_1_1_0_exp_1 (s_g, ra, rb, rc, &
1144  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1145  RETURN
1146  END IF
1147  END IF
1148  IF (n_max == 1) THEN
1149  IF (prop_exp == 0) THEN
1150  CALL pgf_sum_3c_rspace_1d_1_1_1_exp_0 (s_g, ra, rb, rc, &
1151  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1152  RETURN
1153  END IF
1154  IF (prop_exp == 1) THEN
1155  CALL pgf_sum_3c_rspace_1d_1_1_1_exp_1 (s_g, ra, rb, rc, &
1156  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1157  RETURN
1158  END IF
1159  END IF
1160  IF (n_max == 2) THEN
1161  IF (prop_exp == 0) THEN
1162  CALL pgf_sum_3c_rspace_1d_1_1_2_exp_0 (s_g, ra, rb, rc, &
1163  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1164  RETURN
1165  END IF
1166  IF (prop_exp == 1) THEN
1167  CALL pgf_sum_3c_rspace_1d_1_1_2_exp_1 (s_g, ra, rb, rc, &
1168  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1169  RETURN
1170  END IF
1171  END IF
1172  IF (n_max == 3) THEN
1173  IF (prop_exp == 0) THEN
1174  CALL pgf_sum_3c_rspace_1d_1_1_3_exp_0 (s_g, ra, rb, rc, &
1175  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1176  RETURN
1177  END IF
1178  IF (prop_exp == 1) THEN
1179  CALL pgf_sum_3c_rspace_1d_1_1_3_exp_1 (s_g, ra, rb, rc, &
1180  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1181  RETURN
1182  END IF
1183  END IF
1184  IF (n_max == 4) THEN
1185  IF (prop_exp == 0) THEN
1186  CALL pgf_sum_3c_rspace_1d_1_1_4_exp_0 (s_g, ra, rb, rc, &
1187  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1188  RETURN
1189  END IF
1190  IF (prop_exp == 1) THEN
1191  CALL pgf_sum_3c_rspace_1d_1_1_4_exp_1 (s_g, ra, rb, rc, &
1192  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1193  RETURN
1194  END IF
1195  END IF
1196  END IF
1197  IF (m_max == 2) THEN
1198  IF (n_max == 0) THEN
1199  IF (prop_exp == 0) THEN
1200  CALL pgf_sum_3c_rspace_1d_1_2_0_exp_0 (s_g, ra, rb, rc, &
1201  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1202  RETURN
1203  END IF
1204  IF (prop_exp == 1) THEN
1205  CALL pgf_sum_3c_rspace_1d_1_2_0_exp_1 (s_g, ra, rb, rc, &
1206  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1207  RETURN
1208  END IF
1209  END IF
1210  IF (n_max == 1) THEN
1211  IF (prop_exp == 0) THEN
1212  CALL pgf_sum_3c_rspace_1d_1_2_1_exp_0 (s_g, ra, rb, rc, &
1213  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1214  RETURN
1215  END IF
1216  IF (prop_exp == 1) THEN
1217  CALL pgf_sum_3c_rspace_1d_1_2_1_exp_1 (s_g, ra, rb, rc, &
1218  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1219  RETURN
1220  END IF
1221  END IF
1222  IF (n_max == 2) THEN
1223  IF (prop_exp == 0) THEN
1224  CALL pgf_sum_3c_rspace_1d_1_2_2_exp_0 (s_g, ra, rb, rc, &
1225  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1226  RETURN
1227  END IF
1228  IF (prop_exp == 1) THEN
1229  CALL pgf_sum_3c_rspace_1d_1_2_2_exp_1 (s_g, ra, rb, rc, &
1230  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1231  RETURN
1232  END IF
1233  END IF
1234  IF (n_max == 3) THEN
1235  IF (prop_exp == 0) THEN
1236  CALL pgf_sum_3c_rspace_1d_1_2_3_exp_0 (s_g, ra, rb, rc, &
1237  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1238  RETURN
1239  END IF
1240  IF (prop_exp == 1) THEN
1241  CALL pgf_sum_3c_rspace_1d_1_2_3_exp_1 (s_g, ra, rb, rc, &
1242  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1243  RETURN
1244  END IF
1245  END IF
1246  IF (n_max == 4) THEN
1247  IF (prop_exp == 0) THEN
1248  CALL pgf_sum_3c_rspace_1d_1_2_4_exp_0 (s_g, ra, rb, rc, &
1249  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1250  RETURN
1251  END IF
1252  IF (prop_exp == 1) THEN
1253  CALL pgf_sum_3c_rspace_1d_1_2_4_exp_1 (s_g, ra, rb, rc, &
1254  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1255  RETURN
1256  END IF
1257  END IF
1258  END IF
1259  IF (m_max == 3) THEN
1260  IF (n_max == 0) THEN
1261  IF (prop_exp == 0) THEN
1262  CALL pgf_sum_3c_rspace_1d_1_3_0_exp_0 (s_g, ra, rb, rc, &
1263  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1264  RETURN
1265  END IF
1266  IF (prop_exp == 1) THEN
1267  CALL pgf_sum_3c_rspace_1d_1_3_0_exp_1 (s_g, ra, rb, rc, &
1268  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1269  RETURN
1270  END IF
1271  END IF
1272  IF (n_max == 1) THEN
1273  IF (prop_exp == 0) THEN
1274  CALL pgf_sum_3c_rspace_1d_1_3_1_exp_0 (s_g, ra, rb, rc, &
1275  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1276  RETURN
1277  END IF
1278  IF (prop_exp == 1) THEN
1279  CALL pgf_sum_3c_rspace_1d_1_3_1_exp_1 (s_g, ra, rb, rc, &
1280  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1281  RETURN
1282  END IF
1283  END IF
1284  IF (n_max == 2) THEN
1285  IF (prop_exp == 0) THEN
1286  CALL pgf_sum_3c_rspace_1d_1_3_2_exp_0 (s_g, ra, rb, rc, &
1287  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1288  RETURN
1289  END IF
1290  IF (prop_exp == 1) THEN
1291  CALL pgf_sum_3c_rspace_1d_1_3_2_exp_1 (s_g, ra, rb, rc, &
1292  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1293  RETURN
1294  END IF
1295  END IF
1296  IF (n_max == 3) THEN
1297  IF (prop_exp == 0) THEN
1298  CALL pgf_sum_3c_rspace_1d_1_3_3_exp_0 (s_g, ra, rb, rc, &
1299  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1300  RETURN
1301  END IF
1302  IF (prop_exp == 1) THEN
1303  CALL pgf_sum_3c_rspace_1d_1_3_3_exp_1 (s_g, ra, rb, rc, &
1304  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1305  RETURN
1306  END IF
1307  END IF
1308  IF (n_max == 4) THEN
1309  IF (prop_exp == 0) THEN
1310  CALL pgf_sum_3c_rspace_1d_1_3_4_exp_0 (s_g, ra, rb, rc, &
1311  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1312  RETURN
1313  END IF
1314  IF (prop_exp == 1) THEN
1315  CALL pgf_sum_3c_rspace_1d_1_3_4_exp_1 (s_g, ra, rb, rc, &
1316  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1317  RETURN
1318  END IF
1319  END IF
1320  END IF
1321  IF (m_max == 4) THEN
1322  IF (n_max == 0) THEN
1323  IF (prop_exp == 0) THEN
1324  CALL pgf_sum_3c_rspace_1d_1_4_0_exp_0 (s_g, ra, rb, rc, &
1325  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1326  RETURN
1327  END IF
1328  IF (prop_exp == 1) THEN
1329  CALL pgf_sum_3c_rspace_1d_1_4_0_exp_1 (s_g, ra, rb, rc, &
1330  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1331  RETURN
1332  END IF
1333  END IF
1334  IF (n_max == 1) THEN
1335  IF (prop_exp == 0) THEN
1336  CALL pgf_sum_3c_rspace_1d_1_4_1_exp_0 (s_g, ra, rb, rc, &
1337  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1338  RETURN
1339  END IF
1340  IF (prop_exp == 1) THEN
1341  CALL pgf_sum_3c_rspace_1d_1_4_1_exp_1 (s_g, ra, rb, rc, &
1342  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1343  RETURN
1344  END IF
1345  END IF
1346  IF (n_max == 2) THEN
1347  IF (prop_exp == 0) THEN
1348  CALL pgf_sum_3c_rspace_1d_1_4_2_exp_0 (s_g, ra, rb, rc, &
1349  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1350  RETURN
1351  END IF
1352  IF (prop_exp == 1) THEN
1353  CALL pgf_sum_3c_rspace_1d_1_4_2_exp_1 (s_g, ra, rb, rc, &
1354  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1355  RETURN
1356  END IF
1357  END IF
1358  IF (n_max == 3) THEN
1359  IF (prop_exp == 0) THEN
1360  CALL pgf_sum_3c_rspace_1d_1_4_3_exp_0 (s_g, ra, rb, rc, &
1361  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1362  RETURN
1363  END IF
1364  IF (prop_exp == 1) THEN
1365  CALL pgf_sum_3c_rspace_1d_1_4_3_exp_1 (s_g, ra, rb, rc, &
1366  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1367  RETURN
1368  END IF
1369  END IF
1370  IF (n_max == 4) THEN
1371  IF (prop_exp == 0) THEN
1372  CALL pgf_sum_3c_rspace_1d_1_4_4_exp_0 (s_g, ra, rb, rc, &
1373  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1374  RETURN
1375  END IF
1376  IF (prop_exp == 1) THEN
1377  CALL pgf_sum_3c_rspace_1d_1_4_4_exp_1 (s_g, ra, rb, rc, &
1378  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1379  RETURN
1380  END IF
1381  END IF
1382  END IF
1383  END IF
1384  IF (l_max == 2) THEN
1385  IF (m_max == 0) THEN
1386  IF (n_max == 0) THEN
1387  IF (prop_exp == 0) THEN
1388  CALL pgf_sum_3c_rspace_1d_2_0_0_exp_0 (s_g, ra, rb, rc, &
1389  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1390  RETURN
1391  END IF
1392  IF (prop_exp == 1) THEN
1393  CALL pgf_sum_3c_rspace_1d_2_0_0_exp_1 (s_g, ra, rb, rc, &
1394  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1395  RETURN
1396  END IF
1397  END IF
1398  IF (n_max == 1) THEN
1399  IF (prop_exp == 0) THEN
1400  CALL pgf_sum_3c_rspace_1d_2_0_1_exp_0 (s_g, ra, rb, rc, &
1401  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1402  RETURN
1403  END IF
1404  IF (prop_exp == 1) THEN
1405  CALL pgf_sum_3c_rspace_1d_2_0_1_exp_1 (s_g, ra, rb, rc, &
1406  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1407  RETURN
1408  END IF
1409  END IF
1410  IF (n_max == 2) THEN
1411  IF (prop_exp == 0) THEN
1412  CALL pgf_sum_3c_rspace_1d_2_0_2_exp_0 (s_g, ra, rb, rc, &
1413  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1414  RETURN
1415  END IF
1416  IF (prop_exp == 1) THEN
1417  CALL pgf_sum_3c_rspace_1d_2_0_2_exp_1 (s_g, ra, rb, rc, &
1418  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1419  RETURN
1420  END IF
1421  END IF
1422  IF (n_max == 3) THEN
1423  IF (prop_exp == 0) THEN
1424  CALL pgf_sum_3c_rspace_1d_2_0_3_exp_0 (s_g, ra, rb, rc, &
1425  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1426  RETURN
1427  END IF
1428  IF (prop_exp == 1) THEN
1429  CALL pgf_sum_3c_rspace_1d_2_0_3_exp_1 (s_g, ra, rb, rc, &
1430  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1431  RETURN
1432  END IF
1433  END IF
1434  IF (n_max == 4) THEN
1435  IF (prop_exp == 0) THEN
1436  CALL pgf_sum_3c_rspace_1d_2_0_4_exp_0 (s_g, ra, rb, rc, &
1437  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1438  RETURN
1439  END IF
1440  IF (prop_exp == 1) THEN
1441  CALL pgf_sum_3c_rspace_1d_2_0_4_exp_1 (s_g, ra, rb, rc, &
1442  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1443  RETURN
1444  END IF
1445  END IF
1446  END IF
1447  IF (m_max == 1) THEN
1448  IF (n_max == 0) THEN
1449  IF (prop_exp == 0) THEN
1450  CALL pgf_sum_3c_rspace_1d_2_1_0_exp_0 (s_g, ra, rb, rc, &
1451  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1452  RETURN
1453  END IF
1454  IF (prop_exp == 1) THEN
1455  CALL pgf_sum_3c_rspace_1d_2_1_0_exp_1 (s_g, ra, rb, rc, &
1456  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1457  RETURN
1458  END IF
1459  END IF
1460  IF (n_max == 1) THEN
1461  IF (prop_exp == 0) THEN
1462  CALL pgf_sum_3c_rspace_1d_2_1_1_exp_0 (s_g, ra, rb, rc, &
1463  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1464  RETURN
1465  END IF
1466  IF (prop_exp == 1) THEN
1467  CALL pgf_sum_3c_rspace_1d_2_1_1_exp_1 (s_g, ra, rb, rc, &
1468  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1469  RETURN
1470  END IF
1471  END IF
1472  IF (n_max == 2) THEN
1473  IF (prop_exp == 0) THEN
1474  CALL pgf_sum_3c_rspace_1d_2_1_2_exp_0 (s_g, ra, rb, rc, &
1475  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1476  RETURN
1477  END IF
1478  IF (prop_exp == 1) THEN
1479  CALL pgf_sum_3c_rspace_1d_2_1_2_exp_1 (s_g, ra, rb, rc, &
1480  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1481  RETURN
1482  END IF
1483  END IF
1484  IF (n_max == 3) THEN
1485  IF (prop_exp == 0) THEN
1486  CALL pgf_sum_3c_rspace_1d_2_1_3_exp_0 (s_g, ra, rb, rc, &
1487  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1488  RETURN
1489  END IF
1490  IF (prop_exp == 1) THEN
1491  CALL pgf_sum_3c_rspace_1d_2_1_3_exp_1 (s_g, ra, rb, rc, &
1492  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1493  RETURN
1494  END IF
1495  END IF
1496  IF (n_max == 4) THEN
1497  IF (prop_exp == 0) THEN
1498  CALL pgf_sum_3c_rspace_1d_2_1_4_exp_0 (s_g, ra, rb, rc, &
1499  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1500  RETURN
1501  END IF
1502  IF (prop_exp == 1) THEN
1503  CALL pgf_sum_3c_rspace_1d_2_1_4_exp_1 (s_g, ra, rb, rc, &
1504  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1505  RETURN
1506  END IF
1507  END IF
1508  END IF
1509  IF (m_max == 2) THEN
1510  IF (n_max == 0) THEN
1511  IF (prop_exp == 0) THEN
1512  CALL pgf_sum_3c_rspace_1d_2_2_0_exp_0 (s_g, ra, rb, rc, &
1513  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1514  RETURN
1515  END IF
1516  IF (prop_exp == 1) THEN
1517  CALL pgf_sum_3c_rspace_1d_2_2_0_exp_1 (s_g, ra, rb, rc, &
1518  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1519  RETURN
1520  END IF
1521  END IF
1522  IF (n_max == 1) THEN
1523  IF (prop_exp == 0) THEN
1524  CALL pgf_sum_3c_rspace_1d_2_2_1_exp_0 (s_g, ra, rb, rc, &
1525  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1526  RETURN
1527  END IF
1528  IF (prop_exp == 1) THEN
1529  CALL pgf_sum_3c_rspace_1d_2_2_1_exp_1 (s_g, ra, rb, rc, &
1530  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1531  RETURN
1532  END IF
1533  END IF
1534  IF (n_max == 2) THEN
1535  IF (prop_exp == 0) THEN
1536  CALL pgf_sum_3c_rspace_1d_2_2_2_exp_0 (s_g, ra, rb, rc, &
1537  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1538  RETURN
1539  END IF
1540  IF (prop_exp == 1) THEN
1541  CALL pgf_sum_3c_rspace_1d_2_2_2_exp_1 (s_g, ra, rb, rc, &
1542  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1543  RETURN
1544  END IF
1545  END IF
1546  IF (n_max == 3) THEN
1547  IF (prop_exp == 0) THEN
1548  CALL pgf_sum_3c_rspace_1d_2_2_3_exp_0 (s_g, ra, rb, rc, &
1549  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1550  RETURN
1551  END IF
1552  IF (prop_exp == 1) THEN
1553  CALL pgf_sum_3c_rspace_1d_2_2_3_exp_1 (s_g, ra, rb, rc, &
1554  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1555  RETURN
1556  END IF
1557  END IF
1558  IF (n_max == 4) THEN
1559  IF (prop_exp == 0) THEN
1560  CALL pgf_sum_3c_rspace_1d_2_2_4_exp_0 (s_g, ra, rb, rc, &
1561  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1562  RETURN
1563  END IF
1564  IF (prop_exp == 1) THEN
1565  CALL pgf_sum_3c_rspace_1d_2_2_4_exp_1 (s_g, ra, rb, rc, &
1566  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1567  RETURN
1568  END IF
1569  END IF
1570  END IF
1571  IF (m_max == 3) THEN
1572  IF (n_max == 0) THEN
1573  IF (prop_exp == 0) THEN
1574  CALL pgf_sum_3c_rspace_1d_2_3_0_exp_0 (s_g, ra, rb, rc, &
1575  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1576  RETURN
1577  END IF
1578  IF (prop_exp == 1) THEN
1579  CALL pgf_sum_3c_rspace_1d_2_3_0_exp_1 (s_g, ra, rb, rc, &
1580  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1581  RETURN
1582  END IF
1583  END IF
1584  IF (n_max == 1) THEN
1585  IF (prop_exp == 0) THEN
1586  CALL pgf_sum_3c_rspace_1d_2_3_1_exp_0 (s_g, ra, rb, rc, &
1587  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1588  RETURN
1589  END IF
1590  IF (prop_exp == 1) THEN
1591  CALL pgf_sum_3c_rspace_1d_2_3_1_exp_1 (s_g, ra, rb, rc, &
1592  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1593  RETURN
1594  END IF
1595  END IF
1596  IF (n_max == 2) THEN
1597  IF (prop_exp == 0) THEN
1598  CALL pgf_sum_3c_rspace_1d_2_3_2_exp_0 (s_g, ra, rb, rc, &
1599  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1600  RETURN
1601  END IF
1602  IF (prop_exp == 1) THEN
1603  CALL pgf_sum_3c_rspace_1d_2_3_2_exp_1 (s_g, ra, rb, rc, &
1604  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1605  RETURN
1606  END IF
1607  END IF
1608  IF (n_max == 3) THEN
1609  IF (prop_exp == 0) THEN
1610  CALL pgf_sum_3c_rspace_1d_2_3_3_exp_0 (s_g, ra, rb, rc, &
1611  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1612  RETURN
1613  END IF
1614  IF (prop_exp == 1) THEN
1615  CALL pgf_sum_3c_rspace_1d_2_3_3_exp_1 (s_g, ra, rb, rc, &
1616  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1617  RETURN
1618  END IF
1619  END IF
1620  IF (n_max == 4) THEN
1621  IF (prop_exp == 0) THEN
1622  CALL pgf_sum_3c_rspace_1d_2_3_4_exp_0 (s_g, ra, rb, rc, &
1623  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1624  RETURN
1625  END IF
1626  IF (prop_exp == 1) THEN
1627  CALL pgf_sum_3c_rspace_1d_2_3_4_exp_1 (s_g, ra, rb, rc, &
1628  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1629  RETURN
1630  END IF
1631  END IF
1632  END IF
1633  IF (m_max == 4) THEN
1634  IF (n_max == 0) THEN
1635  IF (prop_exp == 0) THEN
1636  CALL pgf_sum_3c_rspace_1d_2_4_0_exp_0 (s_g, ra, rb, rc, &
1637  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1638  RETURN
1639  END IF
1640  IF (prop_exp == 1) THEN
1641  CALL pgf_sum_3c_rspace_1d_2_4_0_exp_1 (s_g, ra, rb, rc, &
1642  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1643  RETURN
1644  END IF
1645  END IF
1646  IF (n_max == 1) THEN
1647  IF (prop_exp == 0) THEN
1648  CALL pgf_sum_3c_rspace_1d_2_4_1_exp_0 (s_g, ra, rb, rc, &
1649  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1650  RETURN
1651  END IF
1652  IF (prop_exp == 1) THEN
1653  CALL pgf_sum_3c_rspace_1d_2_4_1_exp_1 (s_g, ra, rb, rc, &
1654  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1655  RETURN
1656  END IF
1657  END IF
1658  IF (n_max == 2) THEN
1659  IF (prop_exp == 0) THEN
1660  CALL pgf_sum_3c_rspace_1d_2_4_2_exp_0 (s_g, ra, rb, rc, &
1661  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1662  RETURN
1663  END IF
1664  IF (prop_exp == 1) THEN
1665  CALL pgf_sum_3c_rspace_1d_2_4_2_exp_1 (s_g, ra, rb, rc, &
1666  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1667  RETURN
1668  END IF
1669  END IF
1670  IF (n_max == 3) THEN
1671  IF (prop_exp == 0) THEN
1672  CALL pgf_sum_3c_rspace_1d_2_4_3_exp_0 (s_g, ra, rb, rc, &
1673  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1674  RETURN
1675  END IF
1676  IF (prop_exp == 1) THEN
1677  CALL pgf_sum_3c_rspace_1d_2_4_3_exp_1 (s_g, ra, rb, rc, &
1678  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1679  RETURN
1680  END IF
1681  END IF
1682  IF (n_max == 4) THEN
1683  IF (prop_exp == 0) THEN
1684  CALL pgf_sum_3c_rspace_1d_2_4_4_exp_0 (s_g, ra, rb, rc, &
1685  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1686  RETURN
1687  END IF
1688  IF (prop_exp == 1) THEN
1689  CALL pgf_sum_3c_rspace_1d_2_4_4_exp_1 (s_g, ra, rb, rc, &
1690  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1691  RETURN
1692  END IF
1693  END IF
1694  END IF
1695  END IF
1696  IF (l_max == 3) THEN
1697  IF (m_max == 0) THEN
1698  IF (n_max == 0) THEN
1699  IF (prop_exp == 0) THEN
1700  CALL pgf_sum_3c_rspace_1d_3_0_0_exp_0 (s_g, ra, rb, rc, &
1701  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1702  RETURN
1703  END IF
1704  IF (prop_exp == 1) THEN
1705  CALL pgf_sum_3c_rspace_1d_3_0_0_exp_1 (s_g, ra, rb, rc, &
1706  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1707  RETURN
1708  END IF
1709  END IF
1710  IF (n_max == 1) THEN
1711  IF (prop_exp == 0) THEN
1712  CALL pgf_sum_3c_rspace_1d_3_0_1_exp_0 (s_g, ra, rb, rc, &
1713  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1714  RETURN
1715  END IF
1716  IF (prop_exp == 1) THEN
1717  CALL pgf_sum_3c_rspace_1d_3_0_1_exp_1 (s_g, ra, rb, rc, &
1718  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1719  RETURN
1720  END IF
1721  END IF
1722  IF (n_max == 2) THEN
1723  IF (prop_exp == 0) THEN
1724  CALL pgf_sum_3c_rspace_1d_3_0_2_exp_0 (s_g, ra, rb, rc, &
1725  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1726  RETURN
1727  END IF
1728  IF (prop_exp == 1) THEN
1729  CALL pgf_sum_3c_rspace_1d_3_0_2_exp_1 (s_g, ra, rb, rc, &
1730  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1731  RETURN
1732  END IF
1733  END IF
1734  IF (n_max == 3) THEN
1735  IF (prop_exp == 0) THEN
1736  CALL pgf_sum_3c_rspace_1d_3_0_3_exp_0 (s_g, ra, rb, rc, &
1737  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1738  RETURN
1739  END IF
1740  IF (prop_exp == 1) THEN
1741  CALL pgf_sum_3c_rspace_1d_3_0_3_exp_1 (s_g, ra, rb, rc, &
1742  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1743  RETURN
1744  END IF
1745  END IF
1746  IF (n_max == 4) THEN
1747  IF (prop_exp == 0) THEN
1748  CALL pgf_sum_3c_rspace_1d_3_0_4_exp_0 (s_g, ra, rb, rc, &
1749  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1750  RETURN
1751  END IF
1752  IF (prop_exp == 1) THEN
1753  CALL pgf_sum_3c_rspace_1d_3_0_4_exp_1 (s_g, ra, rb, rc, &
1754  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1755  RETURN
1756  END IF
1757  END IF
1758  END IF
1759  IF (m_max == 1) THEN
1760  IF (n_max == 0) THEN
1761  IF (prop_exp == 0) THEN
1762  CALL pgf_sum_3c_rspace_1d_3_1_0_exp_0 (s_g, ra, rb, rc, &
1763  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1764  RETURN
1765  END IF
1766  IF (prop_exp == 1) THEN
1767  CALL pgf_sum_3c_rspace_1d_3_1_0_exp_1 (s_g, ra, rb, rc, &
1768  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1769  RETURN
1770  END IF
1771  END IF
1772  IF (n_max == 1) THEN
1773  IF (prop_exp == 0) THEN
1774  CALL pgf_sum_3c_rspace_1d_3_1_1_exp_0 (s_g, ra, rb, rc, &
1775  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1776  RETURN
1777  END IF
1778  IF (prop_exp == 1) THEN
1779  CALL pgf_sum_3c_rspace_1d_3_1_1_exp_1 (s_g, ra, rb, rc, &
1780  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1781  RETURN
1782  END IF
1783  END IF
1784  IF (n_max == 2) THEN
1785  IF (prop_exp == 0) THEN
1786  CALL pgf_sum_3c_rspace_1d_3_1_2_exp_0 (s_g, ra, rb, rc, &
1787  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1788  RETURN
1789  END IF
1790  IF (prop_exp == 1) THEN
1791  CALL pgf_sum_3c_rspace_1d_3_1_2_exp_1 (s_g, ra, rb, rc, &
1792  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1793  RETURN
1794  END IF
1795  END IF
1796  IF (n_max == 3) THEN
1797  IF (prop_exp == 0) THEN
1798  CALL pgf_sum_3c_rspace_1d_3_1_3_exp_0 (s_g, ra, rb, rc, &
1799  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1800  RETURN
1801  END IF
1802  IF (prop_exp == 1) THEN
1803  CALL pgf_sum_3c_rspace_1d_3_1_3_exp_1 (s_g, ra, rb, rc, &
1804  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1805  RETURN
1806  END IF
1807  END IF
1808  IF (n_max == 4) THEN
1809  IF (prop_exp == 0) THEN
1810  CALL pgf_sum_3c_rspace_1d_3_1_4_exp_0 (s_g, ra, rb, rc, &
1811  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1812  RETURN
1813  END IF
1814  IF (prop_exp == 1) THEN
1815  CALL pgf_sum_3c_rspace_1d_3_1_4_exp_1 (s_g, ra, rb, rc, &
1816  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1817  RETURN
1818  END IF
1819  END IF
1820  END IF
1821  IF (m_max == 2) THEN
1822  IF (n_max == 0) THEN
1823  IF (prop_exp == 0) THEN
1824  CALL pgf_sum_3c_rspace_1d_3_2_0_exp_0 (s_g, ra, rb, rc, &
1825  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1826  RETURN
1827  END IF
1828  IF (prop_exp == 1) THEN
1829  CALL pgf_sum_3c_rspace_1d_3_2_0_exp_1 (s_g, ra, rb, rc, &
1830  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1831  RETURN
1832  END IF
1833  END IF
1834  IF (n_max == 1) THEN
1835  IF (prop_exp == 0) THEN
1836  CALL pgf_sum_3c_rspace_1d_3_2_1_exp_0 (s_g, ra, rb, rc, &
1837  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1838  RETURN
1839  END IF
1840  IF (prop_exp == 1) THEN
1841  CALL pgf_sum_3c_rspace_1d_3_2_1_exp_1 (s_g, ra, rb, rc, &
1842  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1843  RETURN
1844  END IF
1845  END IF
1846  IF (n_max == 2) THEN
1847  IF (prop_exp == 0) THEN
1848  CALL pgf_sum_3c_rspace_1d_3_2_2_exp_0 (s_g, ra, rb, rc, &
1849  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1850  RETURN
1851  END IF
1852  IF (prop_exp == 1) THEN
1853  CALL pgf_sum_3c_rspace_1d_3_2_2_exp_1 (s_g, ra, rb, rc, &
1854  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1855  RETURN
1856  END IF
1857  END IF
1858  IF (n_max == 3) THEN
1859  IF (prop_exp == 0) THEN
1860  CALL pgf_sum_3c_rspace_1d_3_2_3_exp_0 (s_g, ra, rb, rc, &
1861  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1862  RETURN
1863  END IF
1864  IF (prop_exp == 1) THEN
1865  CALL pgf_sum_3c_rspace_1d_3_2_3_exp_1 (s_g, ra, rb, rc, &
1866  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1867  RETURN
1868  END IF
1869  END IF
1870  IF (n_max == 4) THEN
1871  IF (prop_exp == 0) THEN
1872  CALL pgf_sum_3c_rspace_1d_3_2_4_exp_0 (s_g, ra, rb, rc, &
1873  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1874  RETURN
1875  END IF
1876  IF (prop_exp == 1) THEN
1877  CALL pgf_sum_3c_rspace_1d_3_2_4_exp_1 (s_g, ra, rb, rc, &
1878  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1879  RETURN
1880  END IF
1881  END IF
1882  END IF
1883  IF (m_max == 3) THEN
1884  IF (n_max == 0) THEN
1885  IF (prop_exp == 0) THEN
1886  CALL pgf_sum_3c_rspace_1d_3_3_0_exp_0 (s_g, ra, rb, rc, &
1887  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1888  RETURN
1889  END IF
1890  IF (prop_exp == 1) THEN
1891  CALL pgf_sum_3c_rspace_1d_3_3_0_exp_1 (s_g, ra, rb, rc, &
1892  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1893  RETURN
1894  END IF
1895  END IF
1896  IF (n_max == 1) THEN
1897  IF (prop_exp == 0) THEN
1898  CALL pgf_sum_3c_rspace_1d_3_3_1_exp_0 (s_g, ra, rb, rc, &
1899  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1900  RETURN
1901  END IF
1902  IF (prop_exp == 1) THEN
1903  CALL pgf_sum_3c_rspace_1d_3_3_1_exp_1 (s_g, ra, rb, rc, &
1904  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1905  RETURN
1906  END IF
1907  END IF
1908  IF (n_max == 2) THEN
1909  IF (prop_exp == 0) THEN
1910  CALL pgf_sum_3c_rspace_1d_3_3_2_exp_0 (s_g, ra, rb, rc, &
1911  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1912  RETURN
1913  END IF
1914  IF (prop_exp == 1) THEN
1915  CALL pgf_sum_3c_rspace_1d_3_3_2_exp_1 (s_g, ra, rb, rc, &
1916  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1917  RETURN
1918  END IF
1919  END IF
1920  IF (n_max == 3) THEN
1921  IF (prop_exp == 0) THEN
1922  CALL pgf_sum_3c_rspace_1d_3_3_3_exp_0 (s_g, ra, rb, rc, &
1923  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1924  RETURN
1925  END IF
1926  IF (prop_exp == 1) THEN
1927  CALL pgf_sum_3c_rspace_1d_3_3_3_exp_1 (s_g, ra, rb, rc, &
1928  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1929  RETURN
1930  END IF
1931  END IF
1932  IF (n_max == 4) THEN
1933  IF (prop_exp == 0) THEN
1934  CALL pgf_sum_3c_rspace_1d_3_3_4_exp_0 (s_g, ra, rb, rc, &
1935  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1936  RETURN
1937  END IF
1938  IF (prop_exp == 1) THEN
1939  CALL pgf_sum_3c_rspace_1d_3_3_4_exp_1 (s_g, ra, rb, rc, &
1940  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1941  RETURN
1942  END IF
1943  END IF
1944  END IF
1945  IF (m_max == 4) THEN
1946  IF (n_max == 0) THEN
1947  IF (prop_exp == 0) THEN
1948  CALL pgf_sum_3c_rspace_1d_3_4_0_exp_0 (s_g, ra, rb, rc, &
1949  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1950  RETURN
1951  END IF
1952  IF (prop_exp == 1) THEN
1953  CALL pgf_sum_3c_rspace_1d_3_4_0_exp_1 (s_g, ra, rb, rc, &
1954  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1955  RETURN
1956  END IF
1957  END IF
1958  IF (n_max == 1) THEN
1959  IF (prop_exp == 0) THEN
1960  CALL pgf_sum_3c_rspace_1d_3_4_1_exp_0 (s_g, ra, rb, rc, &
1961  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1962  RETURN
1963  END IF
1964  IF (prop_exp == 1) THEN
1965  CALL pgf_sum_3c_rspace_1d_3_4_1_exp_1 (s_g, ra, rb, rc, &
1966  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1967  RETURN
1968  END IF
1969  END IF
1970  IF (n_max == 2) THEN
1971  IF (prop_exp == 0) THEN
1972  CALL pgf_sum_3c_rspace_1d_3_4_2_exp_0 (s_g, ra, rb, rc, &
1973  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1974  RETURN
1975  END IF
1976  IF (prop_exp == 1) THEN
1977  CALL pgf_sum_3c_rspace_1d_3_4_2_exp_1 (s_g, ra, rb, rc, &
1978  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1979  RETURN
1980  END IF
1981  END IF
1982  IF (n_max == 3) THEN
1983  IF (prop_exp == 0) THEN
1984  CALL pgf_sum_3c_rspace_1d_3_4_3_exp_0 (s_g, ra, rb, rc, &
1985  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1986  RETURN
1987  END IF
1988  IF (prop_exp == 1) THEN
1989  CALL pgf_sum_3c_rspace_1d_3_4_3_exp_1 (s_g, ra, rb, rc, &
1990  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1991  RETURN
1992  END IF
1993  END IF
1994  IF (n_max == 4) THEN
1995  IF (prop_exp == 0) THEN
1996  CALL pgf_sum_3c_rspace_1d_3_4_4_exp_0 (s_g, ra, rb, rc, &
1997  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
1998  RETURN
1999  END IF
2000  IF (prop_exp == 1) THEN
2001  CALL pgf_sum_3c_rspace_1d_3_4_4_exp_1 (s_g, ra, rb, rc, &
2002  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2003  RETURN
2004  END IF
2005  END IF
2006  END IF
2007  END IF
2008  IF (l_max == 4) THEN
2009  IF (m_max == 0) THEN
2010  IF (n_max == 0) THEN
2011  IF (prop_exp == 0) THEN
2012  CALL pgf_sum_3c_rspace_1d_4_0_0_exp_0 (s_g, ra, rb, rc, &
2013  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2014  RETURN
2015  END IF
2016  IF (prop_exp == 1) THEN
2017  CALL pgf_sum_3c_rspace_1d_4_0_0_exp_1 (s_g, ra, rb, rc, &
2018  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2019  RETURN
2020  END IF
2021  END IF
2022  IF (n_max == 1) THEN
2023  IF (prop_exp == 0) THEN
2024  CALL pgf_sum_3c_rspace_1d_4_0_1_exp_0 (s_g, ra, rb, rc, &
2025  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2026  RETURN
2027  END IF
2028  IF (prop_exp == 1) THEN
2029  CALL pgf_sum_3c_rspace_1d_4_0_1_exp_1 (s_g, ra, rb, rc, &
2030  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2031  RETURN
2032  END IF
2033  END IF
2034  IF (n_max == 2) THEN
2035  IF (prop_exp == 0) THEN
2036  CALL pgf_sum_3c_rspace_1d_4_0_2_exp_0 (s_g, ra, rb, rc, &
2037  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2038  RETURN
2039  END IF
2040  IF (prop_exp == 1) THEN
2041  CALL pgf_sum_3c_rspace_1d_4_0_2_exp_1 (s_g, ra, rb, rc, &
2042  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2043  RETURN
2044  END IF
2045  END IF
2046  IF (n_max == 3) THEN
2047  IF (prop_exp == 0) THEN
2048  CALL pgf_sum_3c_rspace_1d_4_0_3_exp_0 (s_g, ra, rb, rc, &
2049  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2050  RETURN
2051  END IF
2052  IF (prop_exp == 1) THEN
2053  CALL pgf_sum_3c_rspace_1d_4_0_3_exp_1 (s_g, ra, rb, rc, &
2054  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2055  RETURN
2056  END IF
2057  END IF
2058  IF (n_max == 4) THEN
2059  IF (prop_exp == 0) THEN
2060  CALL pgf_sum_3c_rspace_1d_4_0_4_exp_0 (s_g, ra, rb, rc, &
2061  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2062  RETURN
2063  END IF
2064  IF (prop_exp == 1) THEN
2065  CALL pgf_sum_3c_rspace_1d_4_0_4_exp_1 (s_g, ra, rb, rc, &
2066  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2067  RETURN
2068  END IF
2069  END IF
2070  END IF
2071  IF (m_max == 1) THEN
2072  IF (n_max == 0) THEN
2073  IF (prop_exp == 0) THEN
2074  CALL pgf_sum_3c_rspace_1d_4_1_0_exp_0 (s_g, ra, rb, rc, &
2075  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2076  RETURN
2077  END IF
2078  IF (prop_exp == 1) THEN
2079  CALL pgf_sum_3c_rspace_1d_4_1_0_exp_1 (s_g, ra, rb, rc, &
2080  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2081  RETURN
2082  END IF
2083  END IF
2084  IF (n_max == 1) THEN
2085  IF (prop_exp == 0) THEN
2086  CALL pgf_sum_3c_rspace_1d_4_1_1_exp_0 (s_g, ra, rb, rc, &
2087  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2088  RETURN
2089  END IF
2090  IF (prop_exp == 1) THEN
2091  CALL pgf_sum_3c_rspace_1d_4_1_1_exp_1 (s_g, ra, rb, rc, &
2092  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2093  RETURN
2094  END IF
2095  END IF
2096  IF (n_max == 2) THEN
2097  IF (prop_exp == 0) THEN
2098  CALL pgf_sum_3c_rspace_1d_4_1_2_exp_0 (s_g, ra, rb, rc, &
2099  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2100  RETURN
2101  END IF
2102  IF (prop_exp == 1) THEN
2103  CALL pgf_sum_3c_rspace_1d_4_1_2_exp_1 (s_g, ra, rb, rc, &
2104  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2105  RETURN
2106  END IF
2107  END IF
2108  IF (n_max == 3) THEN
2109  IF (prop_exp == 0) THEN
2110  CALL pgf_sum_3c_rspace_1d_4_1_3_exp_0 (s_g, ra, rb, rc, &
2111  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2112  RETURN
2113  END IF
2114  IF (prop_exp == 1) THEN
2115  CALL pgf_sum_3c_rspace_1d_4_1_3_exp_1 (s_g, ra, rb, rc, &
2116  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2117  RETURN
2118  END IF
2119  END IF
2120  IF (n_max == 4) THEN
2121  IF (prop_exp == 0) THEN
2122  CALL pgf_sum_3c_rspace_1d_4_1_4_exp_0 (s_g, ra, rb, rc, &
2123  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2124  RETURN
2125  END IF
2126  IF (prop_exp == 1) THEN
2127  CALL pgf_sum_3c_rspace_1d_4_1_4_exp_1 (s_g, ra, rb, rc, &
2128  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2129  RETURN
2130  END IF
2131  END IF
2132  END IF
2133  IF (m_max == 2) THEN
2134  IF (n_max == 0) THEN
2135  IF (prop_exp == 0) THEN
2136  CALL pgf_sum_3c_rspace_1d_4_2_0_exp_0 (s_g, ra, rb, rc, &
2137  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2138  RETURN
2139  END IF
2140  IF (prop_exp == 1) THEN
2141  CALL pgf_sum_3c_rspace_1d_4_2_0_exp_1 (s_g, ra, rb, rc, &
2142  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2143  RETURN
2144  END IF
2145  END IF
2146  IF (n_max == 1) THEN
2147  IF (prop_exp == 0) THEN
2148  CALL pgf_sum_3c_rspace_1d_4_2_1_exp_0 (s_g, ra, rb, rc, &
2149  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2150  RETURN
2151  END IF
2152  IF (prop_exp == 1) THEN
2153  CALL pgf_sum_3c_rspace_1d_4_2_1_exp_1 (s_g, ra, rb, rc, &
2154  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2155  RETURN
2156  END IF
2157  END IF
2158  IF (n_max == 2) THEN
2159  IF (prop_exp == 0) THEN
2160  CALL pgf_sum_3c_rspace_1d_4_2_2_exp_0 (s_g, ra, rb, rc, &
2161  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2162  RETURN
2163  END IF
2164  IF (prop_exp == 1) THEN
2165  CALL pgf_sum_3c_rspace_1d_4_2_2_exp_1 (s_g, ra, rb, rc, &
2166  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2167  RETURN
2168  END IF
2169  END IF
2170  IF (n_max == 3) THEN
2171  IF (prop_exp == 0) THEN
2172  CALL pgf_sum_3c_rspace_1d_4_2_3_exp_0 (s_g, ra, rb, rc, &
2173  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2174  RETURN
2175  END IF
2176  IF (prop_exp == 1) THEN
2177  CALL pgf_sum_3c_rspace_1d_4_2_3_exp_1 (s_g, ra, rb, rc, &
2178  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2179  RETURN
2180  END IF
2181  END IF
2182  IF (n_max == 4) THEN
2183  IF (prop_exp == 0) THEN
2184  CALL pgf_sum_3c_rspace_1d_4_2_4_exp_0 (s_g, ra, rb, rc, &
2185  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2186  RETURN
2187  END IF
2188  IF (prop_exp == 1) THEN
2189  CALL pgf_sum_3c_rspace_1d_4_2_4_exp_1 (s_g, ra, rb, rc, &
2190  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2191  RETURN
2192  END IF
2193  END IF
2194  END IF
2195  IF (m_max == 3) THEN
2196  IF (n_max == 0) THEN
2197  IF (prop_exp == 0) THEN
2198  CALL pgf_sum_3c_rspace_1d_4_3_0_exp_0 (s_g, ra, rb, rc, &
2199  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2200  RETURN
2201  END IF
2202  IF (prop_exp == 1) THEN
2203  CALL pgf_sum_3c_rspace_1d_4_3_0_exp_1 (s_g, ra, rb, rc, &
2204  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2205  RETURN
2206  END IF
2207  END IF
2208  IF (n_max == 1) THEN
2209  IF (prop_exp == 0) THEN
2210  CALL pgf_sum_3c_rspace_1d_4_3_1_exp_0 (s_g, ra, rb, rc, &
2211  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2212  RETURN
2213  END IF
2214  IF (prop_exp == 1) THEN
2215  CALL pgf_sum_3c_rspace_1d_4_3_1_exp_1 (s_g, ra, rb, rc, &
2216  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2217  RETURN
2218  END IF
2219  END IF
2220  IF (n_max == 2) THEN
2221  IF (prop_exp == 0) THEN
2222  CALL pgf_sum_3c_rspace_1d_4_3_2_exp_0 (s_g, ra, rb, rc, &
2223  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2224  RETURN
2225  END IF
2226  IF (prop_exp == 1) THEN
2227  CALL pgf_sum_3c_rspace_1d_4_3_2_exp_1 (s_g, ra, rb, rc, &
2228  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2229  RETURN
2230  END IF
2231  END IF
2232  IF (n_max == 3) THEN
2233  IF (prop_exp == 0) THEN
2234  CALL pgf_sum_3c_rspace_1d_4_3_3_exp_0 (s_g, ra, rb, rc, &
2235  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2236  RETURN
2237  END IF
2238  IF (prop_exp == 1) THEN
2239  CALL pgf_sum_3c_rspace_1d_4_3_3_exp_1 (s_g, ra, rb, rc, &
2240  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2241  RETURN
2242  END IF
2243  END IF
2244  IF (n_max == 4) THEN
2245  IF (prop_exp == 0) THEN
2246  CALL pgf_sum_3c_rspace_1d_4_3_4_exp_0 (s_g, ra, rb, rc, &
2247  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2248  RETURN
2249  END IF
2250  IF (prop_exp == 1) THEN
2251  CALL pgf_sum_3c_rspace_1d_4_3_4_exp_1 (s_g, ra, rb, rc, &
2252  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2253  RETURN
2254  END IF
2255  END IF
2256  END IF
2257  IF (m_max == 4) THEN
2258  IF (n_max == 0) THEN
2259  IF (prop_exp == 0) THEN
2260  CALL pgf_sum_3c_rspace_1d_4_4_0_exp_0 (s_g, ra, rb, rc, &
2261  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2262  RETURN
2263  END IF
2264  IF (prop_exp == 1) THEN
2265  CALL pgf_sum_3c_rspace_1d_4_4_0_exp_1 (s_g, ra, rb, rc, &
2266  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2267  RETURN
2268  END IF
2269  END IF
2270  IF (n_max == 1) THEN
2271  IF (prop_exp == 0) THEN
2272  CALL pgf_sum_3c_rspace_1d_4_4_1_exp_0 (s_g, ra, rb, rc, &
2273  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2274  RETURN
2275  END IF
2276  IF (prop_exp == 1) THEN
2277  CALL pgf_sum_3c_rspace_1d_4_4_1_exp_1 (s_g, ra, rb, rc, &
2278  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2279  RETURN
2280  END IF
2281  END IF
2282  IF (n_max == 2) THEN
2283  IF (prop_exp == 0) THEN
2284  CALL pgf_sum_3c_rspace_1d_4_4_2_exp_0 (s_g, ra, rb, rc, &
2285  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2286  RETURN
2287  END IF
2288  IF (prop_exp == 1) THEN
2289  CALL pgf_sum_3c_rspace_1d_4_4_2_exp_1 (s_g, ra, rb, rc, &
2290  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2291  RETURN
2292  END IF
2293  END IF
2294  IF (n_max == 3) THEN
2295  IF (prop_exp == 0) THEN
2296  CALL pgf_sum_3c_rspace_1d_4_4_3_exp_0 (s_g, ra, rb, rc, &
2297  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2298  RETURN
2299  END IF
2300  IF (prop_exp == 1) THEN
2301  CALL pgf_sum_3c_rspace_1d_4_4_3_exp_1 (s_g, ra, rb, rc, &
2302  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2303  RETURN
2304  END IF
2305  END IF
2306  IF (n_max == 4) THEN
2307  IF (prop_exp == 0) THEN
2308  CALL pgf_sum_3c_rspace_1d_4_4_4_exp_0 (s_g, ra, rb, rc, &
2309  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2310  RETURN
2311  END IF
2312  IF (prop_exp == 1) THEN
2313  CALL pgf_sum_3c_rspace_1d_4_4_4_exp_1 (s_g, ra, rb, rc, &
2314  zeta, zetb, zetc, a_mm, lgth, r_bounds_3)
2315  RETURN
2316  END IF
2317  END IF
2318  END IF
2319  END IF
2320  END IF
2321 
2322  END SUBROUTINE pgf_sum_3c_1d
2323 
2324 ! **************************************************************************************************
2325 !> \brief Roughly estimated number of floating point operations
2326 !> \param ns_G1 ...
2327 !> \param ns_G2 ...
2328 !> \param l ...
2329 !> \param m ...
2330 !> \param n ...
2331 !> \return ...
2332 ! **************************************************************************************************
2333  PURE FUNCTION nsum_3c_gspace_1d()
2334  INTEGER(KIND=int_8) :: nsum_3c_gspace_1d
2335 
2336  nsum_3c_gspace_1d = 15
2337  END FUNCTION
2338 
2339 ! **************************************************************************************************
2340 !> \brief Roughly estimated number of floating point operations
2341 !> \param ns_G ...
2342 !> \param ns_R ...
2343 !> \param l ...
2344 !> \param m ...
2345 !> \param n ...
2346 !> \return ...
2347 ! **************************************************************************************************
2348  PURE FUNCTION nsum_product_3c_gspace_1d(ns_G, ns_R)
2349  REAL(kind=dp), INTENT(IN) :: ns_g, ns_r
2350  INTEGER(KIND=int_8) :: nsum_product_3c_gspace_1d
2351 
2352  nsum_product_3c_gspace_1d = min(19, nint(ns_g*(3 + ns_r*2)))
2353  END FUNCTION
2354 
2355 ! **************************************************************************************************
2356 !> \brief Roughly estimated number of floating point operations
2357 !> \param ns_R1 ...
2358 !> \param ns_R2 ...
2359 !> \param l ...
2360 !> \param m ...
2361 !> \param n ...
2362 !> \return ...
2363 ! **************************************************************************************************
2364  PURE FUNCTION nsum_3c_rspace_1d(ns_R1, ns_R2)
2365  REAL(kind=dp), INTENT(IN) :: ns_r1, ns_r2
2366  INTEGER(KIND=int_8) :: nsum_3c_rspace_1d
2367 
2368  nsum_3c_rspace_1d = nint(min((4 + ns_r1*2), ns_r1*(ns_r2 + 1)), kind=int_8)
2369  END FUNCTION
2370 
2371 ! **************************************************************************************************
2372 !> \brief Helper routine: compute SQRT(alpha/pi) (-1)^n sum_(R, R') sum_{t=0}^{l+m} E(t,l,m) H(RC - P(R) - R', t + n, alpha)
2373 !> with alpha = 1.0_dp/((a + b + c)/((a + b)*c) + 4.0_dp*a_mm),
2374 !> P(R) = (a*(RA + R) + b*RB)/(a + b)
2375 !> \param S_R ...
2376 !> \param RA ...
2377 !> \param RB ...
2378 !> \param RC ...
2379 !> \param zeta ...
2380 !> \param zetb ...
2381 !> \param zetc ...
2382 !> \param a_mm ...
2383 !> \param lgth ...
2384 !> \param R_c ...
2385 ! **************************************************************************************************
2386  PURE SUBROUTINE pgf_sum_3c_rspace_1d_generic(S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
2387  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
2388  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
2389  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
2390 
2391  INTEGER :: ll, mm, l, k, l_max, m, m_max, n, n_max, rr1, rr2, t, l_tot_max
2392  REAL(kind=dp) :: alpha, dr, exp_tot, r, r1, r2, r_offset, &
2393  r_pow_t, r_tmp, rr1_delta, rr2_delta, c1, c2, c3
2394  REAL(kind=dp), ALLOCATABLE, DIMENSION(:) :: s_r_t
2395  REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :) :: h_to_c
2396  REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :, :) :: e
2397 
2398  dr = lgth
2399  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
2400  l_max = ubound(s_r, 1)
2401  m_max = ubound(s_r, 2)
2402  n_max = ubound(s_r, 3)
2403  l_tot_max = l_max + m_max + n_max
2404 
2405  ALLOCATE (s_r_t(0:l_max + m_max + n_max))
2406  ALLOCATE (e(-1:l_max + m_max + 1, -1:l_max, -1:m_max))
2407 
2408  s_r(:, :, :) = 0.0_dp
2409 
2410  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
2411 
2412  ! inline CALL create_hermite_to_cartesian(alpha, l_tot_max, h_to_c)
2413  ALLOCATE (h_to_c(-1:l_tot_max + 1, 0:l_tot_max))
2414  h_to_c(:, :) = 0.0_dp
2415  h_to_c(0, 0) = 1.0_dp
2416  DO l = 0, l_tot_max - 1
2417  DO k = 0, l + 1
2418  h_to_c(k, l + 1) = -(k + 1)*h_to_c(k + 1, l) + 2.0_dp*alpha*h_to_c(k - 1, l)
2419  END DO
2420  END DO
2421 
2422  rr1_delta = (ra - rb)/dr
2423  DO rr1 = ceiling(-r_c(1) + rr1_delta), floor(r_c(1) + rr1_delta)
2424  s_r_t(:) = 0.0_dp
2425  r1 = rr1*dr
2426  r_tmp = r_offset + r1*zeta/(zeta + zetb)
2427  rr2_delta = -r_tmp/dr
2428  DO rr2 = ceiling(-r_c(2) + rr2_delta), floor(r_c(2) + rr2_delta)
2429  r2 = rr2*dr
2430  r = r_tmp + r2
2431  exp_tot = exp(-alpha*r**2) ! cost: exp_w flops
2432  r_pow_t = 1.0_dp
2433  DO t = 0, l_max + m_max + n_max
2434  s_r_t(t) = s_r_t(t) + r_pow_t*exp_tot ! cost: 2 flops
2435  r_pow_t = r_pow_t*r ! cost: 1 flop
2436  END DO
2437  END DO
2438 
2439  ! C --> H
2440  s_r_t(:) = matmul(transpose(h_to_c(0:l_max + m_max + n_max, 0:l_max + m_max + n_max)), s_r_t)*sqrt(alpha/pi)
2441 
2442  ! H --> HH
2443  !inline CALL create_gaussian_overlap_dist_to_hermite(l_max, m_max, zeta, zetb, RA-R1, RB, 2, E)
2444 
2445  e(:, :, :) = 0.0_dp
2446  e(0, 0, 0) = exp(-zeta*zetb/(zeta + zetb)*(ra - r1 - rb)**2)
2447 
2448  c1 = 1.0_dp/(zeta + zetb)
2449  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
2450  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
2451 
2452  DO mm = 0, m_max - 1
2453  DO ll = 0, l_max - 1
2454  DO t = 0, ll + mm + 1
2455  e(t, ll + 1, mm) = zeta*(c1*e(t - 1, ll, mm) + &
2456  c2*e(t, ll, mm) + &
2457  2*(t + 1)*e(t + 1, ll, mm) - &
2458  2*ll*e(t, ll - 1, mm))
2459  e(t, ll, mm + 1) = zetb*(c1*e(t - 1, ll, mm) + &
2460  c3*e(t, ll, mm) + &
2461  2*(t + 1)*e(t + 1, ll, mm) - &
2462  2*mm*e(t, ll, mm - 1))
2463  END DO
2464  END DO
2465  END DO
2466 
2467  DO ll = 0, l_max - 1
2468  DO t = 0, ll + m_max + 1
2469  e(t, ll + 1, m_max) = zeta*(c1*e(t - 1, ll, m_max) + &
2470  c2*e(t, ll, m_max) + &
2471  2*(t + 1)*e(t + 1, ll, m_max) - &
2472  2*ll*e(t, ll - 1, m_max))
2473  END DO
2474  END DO
2475 
2476  DO mm = 0, m_max - 1
2477  DO t = 0, l_max + mm + 1
2478  e(t, l_max, mm + 1) = zetb*(c1*e(t - 1, l_max, mm) + &
2479  c3*e(t, l_max, mm) + &
2480  2*(t + 1)*e(t + 1, l_max, mm) - &
2481  2*mm*e(t, l_max, mm - 1))
2482  END DO
2483  END DO
2484 
2485  DO n = 0, n_max
2486  DO m = 0, m_max
2487  DO l = 0, l_max
2488  DO t = 0, l + m
2489  s_r(l, m, n) = s_r(l, m, n) + e(t, l, m)*(-1)**n*s_r_t(t + n) ! cost: 5 flops
2490  END DO
2491  END DO
2492  END DO
2493  END DO
2494  END DO
2495 
2496  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
2497  END SUBROUTINE
2498 
2499 ! **************************************************************************************************
2500 !> \brief Helper routine: compute SQRT(alpha/pi) (-1)^n sum_(R, R') sum_{t=0}^{l+m} E(t,l,m) H(RC - P(R) - R', t + n, alpha)
2501 !> with alpha = 1.0_dp/((a + b + c)/((a + b)*c) + 4.0_dp*a_mm),
2502 !> P(R) = (a*(RA + R) + b*RB)/(a + b)
2503 !> \param S_R ...
2504 !> \param RA ...
2505 !> \param RB ...
2506 !> \param RC ...
2507 !> \param zeta ...
2508 !> \param zetb ...
2509 !> \param zetc ...
2510 !> \param a_mm ...
2511 !> \param lgth ...
2512 !> \param R_c ...
2513 ! **************************************************************************************************
2514  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_0_0_exp_0 ( &
2515  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
2516  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
2517  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
2518  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
2519  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
2520  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
2521  r_pow_t, r_tmp, rr1_delta, rr2_delta
2522 
2523  REAL(kind=dp) :: s_r_t_0
2524  REAL(kind=dp) :: s_r_t2_0
2525  REAL(kind=dp) :: h_to_c_0_0
2526  REAL(kind=dp) :: e_0_0_0
2527 
2528 
2529  dr = lgth
2530  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
2531 
2532  s_r(:, :, :) = 0.0_dp
2533 
2534  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
2535 
2536  h_to_c_0_0 = sqrt(alpha/pi)
2537 
2538 
2539 
2540  rr1_delta = (ra - rb)/dr
2541 
2542  rr1_l = ceiling(-r_c(1) + rr1_delta)
2543  rr1_r = floor(r_c(1) + rr1_delta)
2544 
2545  r1 = rr1_l*dr
2546 
2547  alpha_e = zeta*zetb/(zeta + zetb)
2548 
2549  DO rr1 = rr1_l, rr1_r
2550  s_r_t_0 = 0.0_dp
2551  s_r_t2_0 = 0.0_dp
2552  r_tmp = r_offset + r1*zeta/(zeta + zetb)
2553  rr2_delta = -r_tmp/dr
2554 
2555  rr2_l = ceiling(-r_c(2) + rr2_delta)
2556  rr2_r = floor(r_c(2) + rr2_delta)
2557 
2558  r = r_tmp + (rr2_l)*dr
2559 
2560 
2561  DO rr2 = rr2_l, rr2_r
2562  r_pow_t = 1.0_dp
2563  exp2_rsq = exp(-alpha*r*r)
2564  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
2565 
2566  r = r + dr
2567  END DO
2568 
2569  ! C --> H
2570  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
2571 
2572  ! H --> HH
2573  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
2574 
2575 
2576 
2577  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
2578  r1 = r1 + dr
2579  END DO
2580 
2581  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
2582  END SUBROUTINE
2583  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_0_1_exp_0 ( &
2584  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
2585  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
2586  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
2587  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
2588  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
2589  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
2590  r_pow_t, r_tmp, rr1_delta, rr2_delta
2591 
2592  REAL(kind=dp) :: c1, c2, c3
2593  REAL(kind=dp) :: s_r_t_0, s_r_t_1
2594  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1
2595  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1
2596  REAL(kind=dp) :: e_0_0_0
2597 
2598 
2599  dr = lgth
2600  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
2601 
2602  s_r(:, :, :) = 0.0_dp
2603 
2604  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
2605 
2606  h_to_c_0_0 = sqrt(alpha/pi)
2607 
2608  h_to_c_0_1 = 0.0_dp
2609  h_to_c_1_1 = +2*alpha*h_to_c_0_0
2610 
2611 
2612  rr1_delta = (ra - rb)/dr
2613 
2614  rr1_l = ceiling(-r_c(1) + rr1_delta)
2615  rr1_r = floor(r_c(1) + rr1_delta)
2616 
2617  r1 = rr1_l*dr
2618 
2619  alpha_e = zeta*zetb/(zeta + zetb)
2620 
2621  DO rr1 = rr1_l, rr1_r
2622  s_r_t_0 = 0.0_dp
2623  s_r_t2_0 = 0.0_dp
2624  s_r_t_1 = 0.0_dp
2625  s_r_t2_1 = 0.0_dp
2626  r_tmp = r_offset + r1*zeta/(zeta + zetb)
2627  rr2_delta = -r_tmp/dr
2628 
2629  rr2_l = ceiling(-r_c(2) + rr2_delta)
2630  rr2_r = floor(r_c(2) + rr2_delta)
2631 
2632  r = r_tmp + (rr2_l)*dr
2633 
2634 
2635  DO rr2 = rr2_l, rr2_r
2636  r_pow_t = 1.0_dp
2637  exp2_rsq = exp(-alpha*r*r)
2638  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
2639  r_pow_t = r_pow_t*r
2640  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
2641 
2642  r = r + dr
2643  END DO
2644 
2645  ! C --> H
2646  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
2647  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
2648  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
2649 
2650  ! H --> HH
2651  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
2652 
2653  c1 = 1.0_dp/(zeta + zetb)
2654  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
2655  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
2656 
2657 
2658  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
2659  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
2660  r1 = r1 + dr
2661  END DO
2662 
2663  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
2664  END SUBROUTINE
2665  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_0_2_exp_0 ( &
2666  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
2667  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
2668  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
2669  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
2670  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
2671  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
2672  r_pow_t, r_tmp, rr1_delta, rr2_delta
2673 
2674  REAL(kind=dp) :: c1, c2, c3
2675  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2
2676  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2
2677  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2
2678  REAL(kind=dp) :: e_0_0_0
2679 
2680 
2681  dr = lgth
2682  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
2683 
2684  s_r(:, :, :) = 0.0_dp
2685 
2686  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
2687 
2688  h_to_c_0_0 = sqrt(alpha/pi)
2689 
2690  h_to_c_0_1 = 0.0_dp
2691  h_to_c_1_1 = +2*alpha*h_to_c_0_0
2692  h_to_c_0_2 = -1*h_to_c_1_1
2693  h_to_c_1_2 = +2*alpha*h_to_c_0_1
2694  h_to_c_2_2 = +2*alpha*h_to_c_1_1
2695 
2696 
2697  rr1_delta = (ra - rb)/dr
2698 
2699  rr1_l = ceiling(-r_c(1) + rr1_delta)
2700  rr1_r = floor(r_c(1) + rr1_delta)
2701 
2702  r1 = rr1_l*dr
2703 
2704  alpha_e = zeta*zetb/(zeta + zetb)
2705 
2706  DO rr1 = rr1_l, rr1_r
2707  s_r_t_0 = 0.0_dp
2708  s_r_t2_0 = 0.0_dp
2709  s_r_t_1 = 0.0_dp
2710  s_r_t2_1 = 0.0_dp
2711  s_r_t_2 = 0.0_dp
2712  s_r_t2_2 = 0.0_dp
2713  r_tmp = r_offset + r1*zeta/(zeta + zetb)
2714  rr2_delta = -r_tmp/dr
2715 
2716  rr2_l = ceiling(-r_c(2) + rr2_delta)
2717  rr2_r = floor(r_c(2) + rr2_delta)
2718 
2719  r = r_tmp + (rr2_l)*dr
2720 
2721 
2722  DO rr2 = rr2_l, rr2_r
2723  r_pow_t = 1.0_dp
2724  exp2_rsq = exp(-alpha*r*r)
2725  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
2726  r_pow_t = r_pow_t*r
2727  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
2728  r_pow_t = r_pow_t*r
2729  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
2730 
2731  r = r + dr
2732  END DO
2733 
2734  ! C --> H
2735  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
2736  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
2737  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
2738  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
2739  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
2740  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
2741 
2742  ! H --> HH
2743  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
2744 
2745  c1 = 1.0_dp/(zeta + zetb)
2746  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
2747  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
2748 
2749 
2750  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
2751  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
2752  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
2753  r1 = r1 + dr
2754  END DO
2755 
2756  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
2757  END SUBROUTINE
2758  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_0_3_exp_0 ( &
2759  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
2760  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
2761  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
2762  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
2763  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
2764  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
2765  r_pow_t, r_tmp, rr1_delta, rr2_delta
2766 
2767  REAL(kind=dp) :: c1, c2, c3
2768  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
2769  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
2770  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
2771  & h_to_c_3_3
2772  REAL(kind=dp) :: e_0_0_0
2773 
2774 
2775  dr = lgth
2776  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
2777 
2778  s_r(:, :, :) = 0.0_dp
2779 
2780  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
2781 
2782  h_to_c_0_0 = sqrt(alpha/pi)
2783 
2784  h_to_c_0_1 = 0.0_dp
2785  h_to_c_1_1 = +2*alpha*h_to_c_0_0
2786  h_to_c_0_2 = -1*h_to_c_1_1
2787  h_to_c_1_2 = +2*alpha*h_to_c_0_1
2788  h_to_c_2_2 = +2*alpha*h_to_c_1_1
2789  h_to_c_0_3 = -1*h_to_c_1_2
2790  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
2791  h_to_c_2_3 = +2*alpha*h_to_c_1_2
2792  h_to_c_3_3 = +2*alpha*h_to_c_2_2
2793 
2794 
2795  rr1_delta = (ra - rb)/dr
2796 
2797  rr1_l = ceiling(-r_c(1) + rr1_delta)
2798  rr1_r = floor(r_c(1) + rr1_delta)
2799 
2800  r1 = rr1_l*dr
2801 
2802  alpha_e = zeta*zetb/(zeta + zetb)
2803 
2804  DO rr1 = rr1_l, rr1_r
2805  s_r_t_0 = 0.0_dp
2806  s_r_t2_0 = 0.0_dp
2807  s_r_t_1 = 0.0_dp
2808  s_r_t2_1 = 0.0_dp
2809  s_r_t_2 = 0.0_dp
2810  s_r_t2_2 = 0.0_dp
2811  s_r_t_3 = 0.0_dp
2812  s_r_t2_3 = 0.0_dp
2813  r_tmp = r_offset + r1*zeta/(zeta + zetb)
2814  rr2_delta = -r_tmp/dr
2815 
2816  rr2_l = ceiling(-r_c(2) + rr2_delta)
2817  rr2_r = floor(r_c(2) + rr2_delta)
2818 
2819  r = r_tmp + (rr2_l)*dr
2820 
2821 
2822  DO rr2 = rr2_l, rr2_r
2823  r_pow_t = 1.0_dp
2824  exp2_rsq = exp(-alpha*r*r)
2825  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
2826  r_pow_t = r_pow_t*r
2827  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
2828  r_pow_t = r_pow_t*r
2829  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
2830  r_pow_t = r_pow_t*r
2831  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
2832 
2833  r = r + dr
2834  END DO
2835 
2836  ! C --> H
2837  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
2838  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
2839  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
2840  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
2841  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
2842  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
2843  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
2844  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
2845  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
2846  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
2847 
2848  ! H --> HH
2849  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
2850 
2851  c1 = 1.0_dp/(zeta + zetb)
2852  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
2853  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
2854 
2855 
2856  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
2857  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
2858  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
2859  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
2860  r1 = r1 + dr
2861  END DO
2862 
2863  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
2864  END SUBROUTINE
2865  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_0_4_exp_0 ( &
2866  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
2867  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
2868  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
2869  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
2870  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
2871  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
2872  r_pow_t, r_tmp, rr1_delta, rr2_delta
2873 
2874  REAL(kind=dp) :: c1, c2, c3
2875  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
2876  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
2877  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
2878  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
2879  REAL(kind=dp) :: e_0_0_0
2880 
2881 
2882  dr = lgth
2883  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
2884 
2885  s_r(:, :, :) = 0.0_dp
2886 
2887  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
2888 
2889  h_to_c_0_0 = sqrt(alpha/pi)
2890 
2891  h_to_c_0_1 = 0.0_dp
2892  h_to_c_1_1 = +2*alpha*h_to_c_0_0
2893  h_to_c_0_2 = -1*h_to_c_1_1
2894  h_to_c_1_2 = +2*alpha*h_to_c_0_1
2895  h_to_c_2_2 = +2*alpha*h_to_c_1_1
2896  h_to_c_0_3 = -1*h_to_c_1_2
2897  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
2898  h_to_c_2_3 = +2*alpha*h_to_c_1_2
2899  h_to_c_3_3 = +2*alpha*h_to_c_2_2
2900  h_to_c_0_4 = -1*h_to_c_1_3
2901  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
2902  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
2903  h_to_c_3_4 = +2*alpha*h_to_c_2_3
2904  h_to_c_4_4 = +2*alpha*h_to_c_3_3
2905 
2906 
2907  rr1_delta = (ra - rb)/dr
2908 
2909  rr1_l = ceiling(-r_c(1) + rr1_delta)
2910  rr1_r = floor(r_c(1) + rr1_delta)
2911 
2912  r1 = rr1_l*dr
2913 
2914  alpha_e = zeta*zetb/(zeta + zetb)
2915 
2916  DO rr1 = rr1_l, rr1_r
2917  s_r_t_0 = 0.0_dp
2918  s_r_t2_0 = 0.0_dp
2919  s_r_t_1 = 0.0_dp
2920  s_r_t2_1 = 0.0_dp
2921  s_r_t_2 = 0.0_dp
2922  s_r_t2_2 = 0.0_dp
2923  s_r_t_3 = 0.0_dp
2924  s_r_t2_3 = 0.0_dp
2925  s_r_t_4 = 0.0_dp
2926  s_r_t2_4 = 0.0_dp
2927  r_tmp = r_offset + r1*zeta/(zeta + zetb)
2928  rr2_delta = -r_tmp/dr
2929 
2930  rr2_l = ceiling(-r_c(2) + rr2_delta)
2931  rr2_r = floor(r_c(2) + rr2_delta)
2932 
2933  r = r_tmp + (rr2_l)*dr
2934 
2935 
2936  DO rr2 = rr2_l, rr2_r
2937  r_pow_t = 1.0_dp
2938  exp2_rsq = exp(-alpha*r*r)
2939  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
2940  r_pow_t = r_pow_t*r
2941  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
2942  r_pow_t = r_pow_t*r
2943  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
2944  r_pow_t = r_pow_t*r
2945  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
2946  r_pow_t = r_pow_t*r
2947  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
2948 
2949  r = r + dr
2950  END DO
2951 
2952  ! C --> H
2953  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
2954  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
2955  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
2956  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
2957  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
2958  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
2959  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
2960  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
2961  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
2962  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
2963  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
2964  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
2965  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
2966  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
2967  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
2968 
2969  ! H --> HH
2970  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
2971 
2972  c1 = 1.0_dp/(zeta + zetb)
2973  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
2974  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
2975 
2976 
2977  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
2978  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
2979  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
2980  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
2981  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
2982  r1 = r1 + dr
2983  END DO
2984 
2985  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
2986  END SUBROUTINE
2987  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_1_0_exp_0 ( &
2988  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
2989  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
2990  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
2991  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
2992  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
2993  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
2994  r_pow_t, r_tmp, rr1_delta, rr2_delta
2995 
2996  REAL(kind=dp) :: c1, c2, c3
2997  REAL(kind=dp) :: s_r_t_0, s_r_t_1
2998  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1
2999  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1
3000  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1
3001 
3002 
3003  dr = lgth
3004  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
3005 
3006  s_r(:, :, :) = 0.0_dp
3007 
3008  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
3009 
3010  h_to_c_0_0 = sqrt(alpha/pi)
3011 
3012  h_to_c_0_1 = 0.0_dp
3013  h_to_c_1_1 = +2*alpha*h_to_c_0_0
3014 
3015 
3016  rr1_delta = (ra - rb)/dr
3017 
3018  rr1_l = ceiling(-r_c(1) + rr1_delta)
3019  rr1_r = floor(r_c(1) + rr1_delta)
3020 
3021  r1 = rr1_l*dr
3022 
3023  alpha_e = zeta*zetb/(zeta + zetb)
3024 
3025  DO rr1 = rr1_l, rr1_r
3026  s_r_t_0 = 0.0_dp
3027  s_r_t2_0 = 0.0_dp
3028  s_r_t_1 = 0.0_dp
3029  s_r_t2_1 = 0.0_dp
3030  r_tmp = r_offset + r1*zeta/(zeta + zetb)
3031  rr2_delta = -r_tmp/dr
3032 
3033  rr2_l = ceiling(-r_c(2) + rr2_delta)
3034  rr2_r = floor(r_c(2) + rr2_delta)
3035 
3036  r = r_tmp + (rr2_l)*dr
3037 
3038 
3039  DO rr2 = rr2_l, rr2_r
3040  r_pow_t = 1.0_dp
3041  exp2_rsq = exp(-alpha*r*r)
3042  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
3043  r_pow_t = r_pow_t*r
3044  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
3045 
3046  r = r + dr
3047  END DO
3048 
3049  ! C --> H
3050  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
3051  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
3052  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
3053 
3054  ! H --> HH
3055  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
3056 
3057  c1 = 1.0_dp/(zeta + zetb)
3058  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
3059  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
3060 
3061  e_0_0_1 = zetb*( &
3062  +c3*e_0_0_0&
3063 
3064  )
3065  e_1_0_1 = zetb*( c1*e_0_0_0 &
3066 
3067 
3068  )
3069 
3070  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
3071  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
3072  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
3073  r1 = r1 + dr
3074  END DO
3075 
3076  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
3077  END SUBROUTINE
3078  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_1_1_exp_0 ( &
3079  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
3080  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
3081  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
3082  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
3083  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
3084  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
3085  r_pow_t, r_tmp, rr1_delta, rr2_delta
3086 
3087  REAL(kind=dp) :: c1, c2, c3
3088  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2
3089  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2
3090  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2
3091  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1
3092 
3093 
3094  dr = lgth
3095  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
3096 
3097  s_r(:, :, :) = 0.0_dp
3098 
3099  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
3100 
3101  h_to_c_0_0 = sqrt(alpha/pi)
3102 
3103  h_to_c_0_1 = 0.0_dp
3104  h_to_c_1_1 = +2*alpha*h_to_c_0_0
3105  h_to_c_0_2 = -1*h_to_c_1_1
3106  h_to_c_1_2 = +2*alpha*h_to_c_0_1
3107  h_to_c_2_2 = +2*alpha*h_to_c_1_1
3108 
3109 
3110  rr1_delta = (ra - rb)/dr
3111 
3112  rr1_l = ceiling(-r_c(1) + rr1_delta)
3113  rr1_r = floor(r_c(1) + rr1_delta)
3114 
3115  r1 = rr1_l*dr
3116 
3117  alpha_e = zeta*zetb/(zeta + zetb)
3118 
3119  DO rr1 = rr1_l, rr1_r
3120  s_r_t_0 = 0.0_dp
3121  s_r_t2_0 = 0.0_dp
3122  s_r_t_1 = 0.0_dp
3123  s_r_t2_1 = 0.0_dp
3124  s_r_t_2 = 0.0_dp
3125  s_r_t2_2 = 0.0_dp
3126  r_tmp = r_offset + r1*zeta/(zeta + zetb)
3127  rr2_delta = -r_tmp/dr
3128 
3129  rr2_l = ceiling(-r_c(2) + rr2_delta)
3130  rr2_r = floor(r_c(2) + rr2_delta)
3131 
3132  r = r_tmp + (rr2_l)*dr
3133 
3134 
3135  DO rr2 = rr2_l, rr2_r
3136  r_pow_t = 1.0_dp
3137  exp2_rsq = exp(-alpha*r*r)
3138  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
3139  r_pow_t = r_pow_t*r
3140  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
3141  r_pow_t = r_pow_t*r
3142  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
3143 
3144  r = r + dr
3145  END DO
3146 
3147  ! C --> H
3148  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
3149  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
3150  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
3151  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
3152  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
3153  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
3154 
3155  ! H --> HH
3156  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
3157 
3158  c1 = 1.0_dp/(zeta + zetb)
3159  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
3160  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
3161 
3162  e_0_0_1 = zetb*( &
3163  +c3*e_0_0_0&
3164 
3165  )
3166  e_1_0_1 = zetb*( c1*e_0_0_0 &
3167 
3168 
3169  )
3170 
3171  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
3172  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
3173  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
3174  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
3175  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
3176  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
3177  r1 = r1 + dr
3178  END DO
3179 
3180  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
3181  END SUBROUTINE
3182  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_1_2_exp_0 ( &
3183  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
3184  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
3185  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
3186  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
3187  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
3188  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
3189  r_pow_t, r_tmp, rr1_delta, rr2_delta
3190 
3191  REAL(kind=dp) :: c1, c2, c3
3192  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
3193  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
3194  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
3195  & h_to_c_3_3
3196  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1
3197 
3198 
3199  dr = lgth
3200  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
3201 
3202  s_r(:, :, :) = 0.0_dp
3203 
3204  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
3205 
3206  h_to_c_0_0 = sqrt(alpha/pi)
3207 
3208  h_to_c_0_1 = 0.0_dp
3209  h_to_c_1_1 = +2*alpha*h_to_c_0_0
3210  h_to_c_0_2 = -1*h_to_c_1_1
3211  h_to_c_1_2 = +2*alpha*h_to_c_0_1
3212  h_to_c_2_2 = +2*alpha*h_to_c_1_1
3213  h_to_c_0_3 = -1*h_to_c_1_2
3214  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
3215  h_to_c_2_3 = +2*alpha*h_to_c_1_2
3216  h_to_c_3_3 = +2*alpha*h_to_c_2_2
3217 
3218 
3219  rr1_delta = (ra - rb)/dr
3220 
3221  rr1_l = ceiling(-r_c(1) + rr1_delta)
3222  rr1_r = floor(r_c(1) + rr1_delta)
3223 
3224  r1 = rr1_l*dr
3225 
3226  alpha_e = zeta*zetb/(zeta + zetb)
3227 
3228  DO rr1 = rr1_l, rr1_r
3229  s_r_t_0 = 0.0_dp
3230  s_r_t2_0 = 0.0_dp
3231  s_r_t_1 = 0.0_dp
3232  s_r_t2_1 = 0.0_dp
3233  s_r_t_2 = 0.0_dp
3234  s_r_t2_2 = 0.0_dp
3235  s_r_t_3 = 0.0_dp
3236  s_r_t2_3 = 0.0_dp
3237  r_tmp = r_offset + r1*zeta/(zeta + zetb)
3238  rr2_delta = -r_tmp/dr
3239 
3240  rr2_l = ceiling(-r_c(2) + rr2_delta)
3241  rr2_r = floor(r_c(2) + rr2_delta)
3242 
3243  r = r_tmp + (rr2_l)*dr
3244 
3245 
3246  DO rr2 = rr2_l, rr2_r
3247  r_pow_t = 1.0_dp
3248  exp2_rsq = exp(-alpha*r*r)
3249  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
3250  r_pow_t = r_pow_t*r
3251  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
3252  r_pow_t = r_pow_t*r
3253  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
3254  r_pow_t = r_pow_t*r
3255  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
3256 
3257  r = r + dr
3258  END DO
3259 
3260  ! C --> H
3261  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
3262  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
3263  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
3264  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
3265  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
3266  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
3267  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
3268  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
3269  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
3270  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
3271 
3272  ! H --> HH
3273  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
3274 
3275  c1 = 1.0_dp/(zeta + zetb)
3276  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
3277  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
3278 
3279  e_0_0_1 = zetb*( &
3280  +c3*e_0_0_0&
3281 
3282  )
3283  e_1_0_1 = zetb*( c1*e_0_0_0 &
3284 
3285 
3286  )
3287 
3288  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
3289  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
3290  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
3291  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
3292  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
3293  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
3294  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
3295  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
3296  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
3297  r1 = r1 + dr
3298  END DO
3299 
3300  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
3301  END SUBROUTINE
3302  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_1_3_exp_0 ( &
3303  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
3304  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
3305  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
3306  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
3307  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
3308  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
3309  r_pow_t, r_tmp, rr1_delta, rr2_delta
3310 
3311  REAL(kind=dp) :: c1, c2, c3
3312  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
3313  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
3314  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
3315  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
3316  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1
3317 
3318 
3319  dr = lgth
3320  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
3321 
3322  s_r(:, :, :) = 0.0_dp
3323 
3324  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
3325 
3326  h_to_c_0_0 = sqrt(alpha/pi)
3327 
3328  h_to_c_0_1 = 0.0_dp
3329  h_to_c_1_1 = +2*alpha*h_to_c_0_0
3330  h_to_c_0_2 = -1*h_to_c_1_1
3331  h_to_c_1_2 = +2*alpha*h_to_c_0_1
3332  h_to_c_2_2 = +2*alpha*h_to_c_1_1
3333  h_to_c_0_3 = -1*h_to_c_1_2
3334  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
3335  h_to_c_2_3 = +2*alpha*h_to_c_1_2
3336  h_to_c_3_3 = +2*alpha*h_to_c_2_2
3337  h_to_c_0_4 = -1*h_to_c_1_3
3338  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
3339  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
3340  h_to_c_3_4 = +2*alpha*h_to_c_2_3
3341  h_to_c_4_4 = +2*alpha*h_to_c_3_3
3342 
3343 
3344  rr1_delta = (ra - rb)/dr
3345 
3346  rr1_l = ceiling(-r_c(1) + rr1_delta)
3347  rr1_r = floor(r_c(1) + rr1_delta)
3348 
3349  r1 = rr1_l*dr
3350 
3351  alpha_e = zeta*zetb/(zeta + zetb)
3352 
3353  DO rr1 = rr1_l, rr1_r
3354  s_r_t_0 = 0.0_dp
3355  s_r_t2_0 = 0.0_dp
3356  s_r_t_1 = 0.0_dp
3357  s_r_t2_1 = 0.0_dp
3358  s_r_t_2 = 0.0_dp
3359  s_r_t2_2 = 0.0_dp
3360  s_r_t_3 = 0.0_dp
3361  s_r_t2_3 = 0.0_dp
3362  s_r_t_4 = 0.0_dp
3363  s_r_t2_4 = 0.0_dp
3364  r_tmp = r_offset + r1*zeta/(zeta + zetb)
3365  rr2_delta = -r_tmp/dr
3366 
3367  rr2_l = ceiling(-r_c(2) + rr2_delta)
3368  rr2_r = floor(r_c(2) + rr2_delta)
3369 
3370  r = r_tmp + (rr2_l)*dr
3371 
3372 
3373  DO rr2 = rr2_l, rr2_r
3374  r_pow_t = 1.0_dp
3375  exp2_rsq = exp(-alpha*r*r)
3376  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
3377  r_pow_t = r_pow_t*r
3378  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
3379  r_pow_t = r_pow_t*r
3380  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
3381  r_pow_t = r_pow_t*r
3382  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
3383  r_pow_t = r_pow_t*r
3384  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
3385 
3386  r = r + dr
3387  END DO
3388 
3389  ! C --> H
3390  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
3391  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
3392  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
3393  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
3394  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
3395  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
3396  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
3397  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
3398  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
3399  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
3400  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
3401  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
3402  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
3403  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
3404  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
3405 
3406  ! H --> HH
3407  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
3408 
3409  c1 = 1.0_dp/(zeta + zetb)
3410  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
3411  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
3412 
3413  e_0_0_1 = zetb*( &
3414  +c3*e_0_0_0&
3415 
3416  )
3417  e_1_0_1 = zetb*( c1*e_0_0_0 &
3418 
3419 
3420  )
3421 
3422  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
3423  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
3424  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
3425  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
3426  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
3427  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
3428  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
3429  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
3430  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
3431  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
3432  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
3433  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
3434  r1 = r1 + dr
3435  END DO
3436 
3437  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
3438  END SUBROUTINE
3439  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_1_4_exp_0 ( &
3440  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
3441  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
3442  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
3443  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
3444  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
3445  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
3446  r_pow_t, r_tmp, rr1_delta, rr2_delta
3447 
3448  REAL(kind=dp) :: c1, c2, c3
3449  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
3450  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
3451  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
3452  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
3453  & h_to_c_4_5, h_to_c_5_5
3454  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1
3455 
3456 
3457  dr = lgth
3458  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
3459 
3460  s_r(:, :, :) = 0.0_dp
3461 
3462  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
3463 
3464  h_to_c_0_0 = sqrt(alpha/pi)
3465 
3466  h_to_c_0_1 = 0.0_dp
3467  h_to_c_1_1 = +2*alpha*h_to_c_0_0
3468  h_to_c_0_2 = -1*h_to_c_1_1
3469  h_to_c_1_2 = +2*alpha*h_to_c_0_1
3470  h_to_c_2_2 = +2*alpha*h_to_c_1_1
3471  h_to_c_0_3 = -1*h_to_c_1_2
3472  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
3473  h_to_c_2_3 = +2*alpha*h_to_c_1_2
3474  h_to_c_3_3 = +2*alpha*h_to_c_2_2
3475  h_to_c_0_4 = -1*h_to_c_1_3
3476  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
3477  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
3478  h_to_c_3_4 = +2*alpha*h_to_c_2_3
3479  h_to_c_4_4 = +2*alpha*h_to_c_3_3
3480  h_to_c_0_5 = -1*h_to_c_1_4
3481  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
3482  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
3483  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
3484  h_to_c_4_5 = +2*alpha*h_to_c_3_4
3485  h_to_c_5_5 = +2*alpha*h_to_c_4_4
3486 
3487 
3488  rr1_delta = (ra - rb)/dr
3489 
3490  rr1_l = ceiling(-r_c(1) + rr1_delta)
3491  rr1_r = floor(r_c(1) + rr1_delta)
3492 
3493  r1 = rr1_l*dr
3494 
3495  alpha_e = zeta*zetb/(zeta + zetb)
3496 
3497  DO rr1 = rr1_l, rr1_r
3498  s_r_t_0 = 0.0_dp
3499  s_r_t2_0 = 0.0_dp
3500  s_r_t_1 = 0.0_dp
3501  s_r_t2_1 = 0.0_dp
3502  s_r_t_2 = 0.0_dp
3503  s_r_t2_2 = 0.0_dp
3504  s_r_t_3 = 0.0_dp
3505  s_r_t2_3 = 0.0_dp
3506  s_r_t_4 = 0.0_dp
3507  s_r_t2_4 = 0.0_dp
3508  s_r_t_5 = 0.0_dp
3509  s_r_t2_5 = 0.0_dp
3510  r_tmp = r_offset + r1*zeta/(zeta + zetb)
3511  rr2_delta = -r_tmp/dr
3512 
3513  rr2_l = ceiling(-r_c(2) + rr2_delta)
3514  rr2_r = floor(r_c(2) + rr2_delta)
3515 
3516  r = r_tmp + (rr2_l)*dr
3517 
3518 
3519  DO rr2 = rr2_l, rr2_r
3520  r_pow_t = 1.0_dp
3521  exp2_rsq = exp(-alpha*r*r)
3522  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
3523  r_pow_t = r_pow_t*r
3524  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
3525  r_pow_t = r_pow_t*r
3526  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
3527  r_pow_t = r_pow_t*r
3528  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
3529  r_pow_t = r_pow_t*r
3530  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
3531  r_pow_t = r_pow_t*r
3532  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
3533 
3534  r = r + dr
3535  END DO
3536 
3537  ! C --> H
3538  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
3539  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
3540  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
3541  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
3542  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
3543  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
3544  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
3545  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
3546  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
3547  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
3548  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
3549  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
3550  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
3551  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
3552  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
3553  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
3554  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
3555  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
3556  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
3557  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
3558  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
3559 
3560  ! H --> HH
3561  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
3562 
3563  c1 = 1.0_dp/(zeta + zetb)
3564  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
3565  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
3566 
3567  e_0_0_1 = zetb*( &
3568  +c3*e_0_0_0&
3569 
3570  )
3571  e_1_0_1 = zetb*( c1*e_0_0_0 &
3572 
3573 
3574  )
3575 
3576  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
3577  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
3578  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
3579  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
3580  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
3581  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
3582  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
3583  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
3584  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
3585  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
3586  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
3587  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
3588  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
3589  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
3590  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
3591  r1 = r1 + dr
3592  END DO
3593 
3594  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
3595  END SUBROUTINE
3596  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_2_0_exp_0 ( &
3597  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
3598  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
3599  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
3600  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
3601  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
3602  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
3603  r_pow_t, r_tmp, rr1_delta, rr2_delta
3604 
3605  REAL(kind=dp) :: c1, c2, c3
3606  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2
3607  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2
3608  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2
3609  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2
3610 
3611 
3612  dr = lgth
3613  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
3614 
3615  s_r(:, :, :) = 0.0_dp
3616 
3617  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
3618 
3619  h_to_c_0_0 = sqrt(alpha/pi)
3620 
3621  h_to_c_0_1 = 0.0_dp
3622  h_to_c_1_1 = +2*alpha*h_to_c_0_0
3623  h_to_c_0_2 = -1*h_to_c_1_1
3624  h_to_c_1_2 = +2*alpha*h_to_c_0_1
3625  h_to_c_2_2 = +2*alpha*h_to_c_1_1
3626 
3627 
3628  rr1_delta = (ra - rb)/dr
3629 
3630  rr1_l = ceiling(-r_c(1) + rr1_delta)
3631  rr1_r = floor(r_c(1) + rr1_delta)
3632 
3633  r1 = rr1_l*dr
3634 
3635  alpha_e = zeta*zetb/(zeta + zetb)
3636 
3637  DO rr1 = rr1_l, rr1_r
3638  s_r_t_0 = 0.0_dp
3639  s_r_t2_0 = 0.0_dp
3640  s_r_t_1 = 0.0_dp
3641  s_r_t2_1 = 0.0_dp
3642  s_r_t_2 = 0.0_dp
3643  s_r_t2_2 = 0.0_dp
3644  r_tmp = r_offset + r1*zeta/(zeta + zetb)
3645  rr2_delta = -r_tmp/dr
3646 
3647  rr2_l = ceiling(-r_c(2) + rr2_delta)
3648  rr2_r = floor(r_c(2) + rr2_delta)
3649 
3650  r = r_tmp + (rr2_l)*dr
3651 
3652 
3653  DO rr2 = rr2_l, rr2_r
3654  r_pow_t = 1.0_dp
3655  exp2_rsq = exp(-alpha*r*r)
3656  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
3657  r_pow_t = r_pow_t*r
3658  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
3659  r_pow_t = r_pow_t*r
3660  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
3661 
3662  r = r + dr
3663  END DO
3664 
3665  ! C --> H
3666  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
3667  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
3668  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
3669  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
3670  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
3671  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
3672 
3673  ! H --> HH
3674  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
3675 
3676  c1 = 1.0_dp/(zeta + zetb)
3677  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
3678  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
3679 
3680  e_0_0_1 = zetb*( &
3681  +c3*e_0_0_0&
3682 
3683  )
3684  e_1_0_1 = zetb*( c1*e_0_0_0 &
3685 
3686 
3687  )
3688  e_0_0_2 = zetb*( &
3689  +c3*e_0_0_1&
3690  +2*e_1_0_1 &
3691  -2*e_0_0_0)
3692  e_1_0_2 = zetb*( c1*e_0_0_1 &
3693  +c3*e_1_0_1&
3694 
3695  )
3696  e_2_0_2 = zetb*( c1*e_1_0_1 &
3697 
3698 
3699  )
3700 
3701  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
3702  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
3703  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
3704  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
3705  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
3706  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
3707  r1 = r1 + dr
3708  END DO
3709 
3710  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
3711  END SUBROUTINE
3712  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_2_1_exp_0 ( &
3713  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
3714  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
3715  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
3716  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
3717  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
3718  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
3719  r_pow_t, r_tmp, rr1_delta, rr2_delta
3720 
3721  REAL(kind=dp) :: c1, c2, c3
3722  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
3723  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
3724  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
3725  & h_to_c_3_3
3726  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2
3727 
3728 
3729  dr = lgth
3730  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
3731 
3732  s_r(:, :, :) = 0.0_dp
3733 
3734  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
3735 
3736  h_to_c_0_0 = sqrt(alpha/pi)
3737 
3738  h_to_c_0_1 = 0.0_dp
3739  h_to_c_1_1 = +2*alpha*h_to_c_0_0
3740  h_to_c_0_2 = -1*h_to_c_1_1
3741  h_to_c_1_2 = +2*alpha*h_to_c_0_1
3742  h_to_c_2_2 = +2*alpha*h_to_c_1_1
3743  h_to_c_0_3 = -1*h_to_c_1_2
3744  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
3745  h_to_c_2_3 = +2*alpha*h_to_c_1_2
3746  h_to_c_3_3 = +2*alpha*h_to_c_2_2
3747 
3748 
3749  rr1_delta = (ra - rb)/dr
3750 
3751  rr1_l = ceiling(-r_c(1) + rr1_delta)
3752  rr1_r = floor(r_c(1) + rr1_delta)
3753 
3754  r1 = rr1_l*dr
3755 
3756  alpha_e = zeta*zetb/(zeta + zetb)
3757 
3758  DO rr1 = rr1_l, rr1_r
3759  s_r_t_0 = 0.0_dp
3760  s_r_t2_0 = 0.0_dp
3761  s_r_t_1 = 0.0_dp
3762  s_r_t2_1 = 0.0_dp
3763  s_r_t_2 = 0.0_dp
3764  s_r_t2_2 = 0.0_dp
3765  s_r_t_3 = 0.0_dp
3766  s_r_t2_3 = 0.0_dp
3767  r_tmp = r_offset + r1*zeta/(zeta + zetb)
3768  rr2_delta = -r_tmp/dr
3769 
3770  rr2_l = ceiling(-r_c(2) + rr2_delta)
3771  rr2_r = floor(r_c(2) + rr2_delta)
3772 
3773  r = r_tmp + (rr2_l)*dr
3774 
3775 
3776  DO rr2 = rr2_l, rr2_r
3777  r_pow_t = 1.0_dp
3778  exp2_rsq = exp(-alpha*r*r)
3779  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
3780  r_pow_t = r_pow_t*r
3781  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
3782  r_pow_t = r_pow_t*r
3783  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
3784  r_pow_t = r_pow_t*r
3785  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
3786 
3787  r = r + dr
3788  END DO
3789 
3790  ! C --> H
3791  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
3792  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
3793  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
3794  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
3795  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
3796  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
3797  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
3798  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
3799  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
3800  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
3801 
3802  ! H --> HH
3803  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
3804 
3805  c1 = 1.0_dp/(zeta + zetb)
3806  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
3807  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
3808 
3809  e_0_0_1 = zetb*( &
3810  +c3*e_0_0_0&
3811 
3812  )
3813  e_1_0_1 = zetb*( c1*e_0_0_0 &
3814 
3815 
3816  )
3817  e_0_0_2 = zetb*( &
3818  +c3*e_0_0_1&
3819  +2*e_1_0_1 &
3820  -2*e_0_0_0)
3821  e_1_0_2 = zetb*( c1*e_0_0_1 &
3822  +c3*e_1_0_1&
3823 
3824  )
3825  e_2_0_2 = zetb*( c1*e_1_0_1 &
3826 
3827 
3828  )
3829 
3830  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
3831  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
3832  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
3833  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
3834  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
3835  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
3836  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
3837  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
3838  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
3839  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
3840  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
3841  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
3842  r1 = r1 + dr
3843  END DO
3844 
3845  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
3846  END SUBROUTINE
3847  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_2_2_exp_0 ( &
3848  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
3849  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
3850  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
3851  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
3852  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
3853  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
3854  r_pow_t, r_tmp, rr1_delta, rr2_delta
3855 
3856  REAL(kind=dp) :: c1, c2, c3
3857  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
3858  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
3859  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
3860  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
3861  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2
3862 
3863 
3864  dr = lgth
3865  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
3866 
3867  s_r(:, :, :) = 0.0_dp
3868 
3869  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
3870 
3871  h_to_c_0_0 = sqrt(alpha/pi)
3872 
3873  h_to_c_0_1 = 0.0_dp
3874  h_to_c_1_1 = +2*alpha*h_to_c_0_0
3875  h_to_c_0_2 = -1*h_to_c_1_1
3876  h_to_c_1_2 = +2*alpha*h_to_c_0_1
3877  h_to_c_2_2 = +2*alpha*h_to_c_1_1
3878  h_to_c_0_3 = -1*h_to_c_1_2
3879  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
3880  h_to_c_2_3 = +2*alpha*h_to_c_1_2
3881  h_to_c_3_3 = +2*alpha*h_to_c_2_2
3882  h_to_c_0_4 = -1*h_to_c_1_3
3883  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
3884  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
3885  h_to_c_3_4 = +2*alpha*h_to_c_2_3
3886  h_to_c_4_4 = +2*alpha*h_to_c_3_3
3887 
3888 
3889  rr1_delta = (ra - rb)/dr
3890 
3891  rr1_l = ceiling(-r_c(1) + rr1_delta)
3892  rr1_r = floor(r_c(1) + rr1_delta)
3893 
3894  r1 = rr1_l*dr
3895 
3896  alpha_e = zeta*zetb/(zeta + zetb)
3897 
3898  DO rr1 = rr1_l, rr1_r
3899  s_r_t_0 = 0.0_dp
3900  s_r_t2_0 = 0.0_dp
3901  s_r_t_1 = 0.0_dp
3902  s_r_t2_1 = 0.0_dp
3903  s_r_t_2 = 0.0_dp
3904  s_r_t2_2 = 0.0_dp
3905  s_r_t_3 = 0.0_dp
3906  s_r_t2_3 = 0.0_dp
3907  s_r_t_4 = 0.0_dp
3908  s_r_t2_4 = 0.0_dp
3909  r_tmp = r_offset + r1*zeta/(zeta + zetb)
3910  rr2_delta = -r_tmp/dr
3911 
3912  rr2_l = ceiling(-r_c(2) + rr2_delta)
3913  rr2_r = floor(r_c(2) + rr2_delta)
3914 
3915  r = r_tmp + (rr2_l)*dr
3916 
3917 
3918  DO rr2 = rr2_l, rr2_r
3919  r_pow_t = 1.0_dp
3920  exp2_rsq = exp(-alpha*r*r)
3921  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
3922  r_pow_t = r_pow_t*r
3923  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
3924  r_pow_t = r_pow_t*r
3925  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
3926  r_pow_t = r_pow_t*r
3927  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
3928  r_pow_t = r_pow_t*r
3929  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
3930 
3931  r = r + dr
3932  END DO
3933 
3934  ! C --> H
3935  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
3936  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
3937  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
3938  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
3939  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
3940  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
3941  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
3942  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
3943  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
3944  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
3945  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
3946  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
3947  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
3948  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
3949  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
3950 
3951  ! H --> HH
3952  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
3953 
3954  c1 = 1.0_dp/(zeta + zetb)
3955  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
3956  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
3957 
3958  e_0_0_1 = zetb*( &
3959  +c3*e_0_0_0&
3960 
3961  )
3962  e_1_0_1 = zetb*( c1*e_0_0_0 &
3963 
3964 
3965  )
3966  e_0_0_2 = zetb*( &
3967  +c3*e_0_0_1&
3968  +2*e_1_0_1 &
3969  -2*e_0_0_0)
3970  e_1_0_2 = zetb*( c1*e_0_0_1 &
3971  +c3*e_1_0_1&
3972 
3973  )
3974  e_2_0_2 = zetb*( c1*e_1_0_1 &
3975 
3976 
3977  )
3978 
3979  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
3980  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
3981  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
3982  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
3983  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
3984  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
3985  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
3986  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
3987  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
3988  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
3989  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
3990  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
3991  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
3992  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
3993  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
3994  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
3995  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
3996  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
3997  r1 = r1 + dr
3998  END DO
3999 
4000  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
4001  END SUBROUTINE
4002  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_2_3_exp_0 ( &
4003  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
4004  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
4005  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
4006  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
4007  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
4008  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
4009  r_pow_t, r_tmp, rr1_delta, rr2_delta
4010 
4011  REAL(kind=dp) :: c1, c2, c3
4012  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
4013  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
4014  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
4015  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
4016  & h_to_c_4_5, h_to_c_5_5
4017  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2
4018 
4019 
4020  dr = lgth
4021  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
4022 
4023  s_r(:, :, :) = 0.0_dp
4024 
4025  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
4026 
4027  h_to_c_0_0 = sqrt(alpha/pi)
4028 
4029  h_to_c_0_1 = 0.0_dp
4030  h_to_c_1_1 = +2*alpha*h_to_c_0_0
4031  h_to_c_0_2 = -1*h_to_c_1_1
4032  h_to_c_1_2 = +2*alpha*h_to_c_0_1
4033  h_to_c_2_2 = +2*alpha*h_to_c_1_1
4034  h_to_c_0_3 = -1*h_to_c_1_2
4035  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
4036  h_to_c_2_3 = +2*alpha*h_to_c_1_2
4037  h_to_c_3_3 = +2*alpha*h_to_c_2_2
4038  h_to_c_0_4 = -1*h_to_c_1_3
4039  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
4040  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
4041  h_to_c_3_4 = +2*alpha*h_to_c_2_3
4042  h_to_c_4_4 = +2*alpha*h_to_c_3_3
4043  h_to_c_0_5 = -1*h_to_c_1_4
4044  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
4045  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
4046  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
4047  h_to_c_4_5 = +2*alpha*h_to_c_3_4
4048  h_to_c_5_5 = +2*alpha*h_to_c_4_4
4049 
4050 
4051  rr1_delta = (ra - rb)/dr
4052 
4053  rr1_l = ceiling(-r_c(1) + rr1_delta)
4054  rr1_r = floor(r_c(1) + rr1_delta)
4055 
4056  r1 = rr1_l*dr
4057 
4058  alpha_e = zeta*zetb/(zeta + zetb)
4059 
4060  DO rr1 = rr1_l, rr1_r
4061  s_r_t_0 = 0.0_dp
4062  s_r_t2_0 = 0.0_dp
4063  s_r_t_1 = 0.0_dp
4064  s_r_t2_1 = 0.0_dp
4065  s_r_t_2 = 0.0_dp
4066  s_r_t2_2 = 0.0_dp
4067  s_r_t_3 = 0.0_dp
4068  s_r_t2_3 = 0.0_dp
4069  s_r_t_4 = 0.0_dp
4070  s_r_t2_4 = 0.0_dp
4071  s_r_t_5 = 0.0_dp
4072  s_r_t2_5 = 0.0_dp
4073  r_tmp = r_offset + r1*zeta/(zeta + zetb)
4074  rr2_delta = -r_tmp/dr
4075 
4076  rr2_l = ceiling(-r_c(2) + rr2_delta)
4077  rr2_r = floor(r_c(2) + rr2_delta)
4078 
4079  r = r_tmp + (rr2_l)*dr
4080 
4081 
4082  DO rr2 = rr2_l, rr2_r
4083  r_pow_t = 1.0_dp
4084  exp2_rsq = exp(-alpha*r*r)
4085  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
4086  r_pow_t = r_pow_t*r
4087  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
4088  r_pow_t = r_pow_t*r
4089  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
4090  r_pow_t = r_pow_t*r
4091  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
4092  r_pow_t = r_pow_t*r
4093  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
4094  r_pow_t = r_pow_t*r
4095  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
4096 
4097  r = r + dr
4098  END DO
4099 
4100  ! C --> H
4101  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
4102  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
4103  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
4104  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
4105  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
4106  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
4107  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
4108  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
4109  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
4110  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
4111  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
4112  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
4113  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
4114  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
4115  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
4116  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
4117  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
4118  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
4119  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
4120  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
4121  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
4122 
4123  ! H --> HH
4124  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
4125 
4126  c1 = 1.0_dp/(zeta + zetb)
4127  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
4128  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
4129 
4130  e_0_0_1 = zetb*( &
4131  +c3*e_0_0_0&
4132 
4133  )
4134  e_1_0_1 = zetb*( c1*e_0_0_0 &
4135 
4136 
4137  )
4138  e_0_0_2 = zetb*( &
4139  +c3*e_0_0_1&
4140  +2*e_1_0_1 &
4141  -2*e_0_0_0)
4142  e_1_0_2 = zetb*( c1*e_0_0_1 &
4143  +c3*e_1_0_1&
4144 
4145  )
4146  e_2_0_2 = zetb*( c1*e_1_0_1 &
4147 
4148 
4149  )
4150 
4151  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
4152  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
4153  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
4154  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
4155  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
4156  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
4157  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
4158  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
4159  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
4160  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
4161  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
4162  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
4163  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
4164  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
4165  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
4166  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
4167  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
4168  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
4169  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
4170  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
4171  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
4172  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
4173  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
4174  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
4175  r1 = r1 + dr
4176  END DO
4177 
4178  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
4179  END SUBROUTINE
4180  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_2_4_exp_0 ( &
4181  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
4182  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
4183  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
4184  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
4185  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
4186  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
4187  r_pow_t, r_tmp, rr1_delta, rr2_delta
4188 
4189  REAL(kind=dp) :: c1, c2, c3
4190  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
4191  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
4192  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
4193  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
4194  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
4195  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2
4196 
4197 
4198  dr = lgth
4199  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
4200 
4201  s_r(:, :, :) = 0.0_dp
4202 
4203  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
4204 
4205  h_to_c_0_0 = sqrt(alpha/pi)
4206 
4207  h_to_c_0_1 = 0.0_dp
4208  h_to_c_1_1 = +2*alpha*h_to_c_0_0
4209  h_to_c_0_2 = -1*h_to_c_1_1
4210  h_to_c_1_2 = +2*alpha*h_to_c_0_1
4211  h_to_c_2_2 = +2*alpha*h_to_c_1_1
4212  h_to_c_0_3 = -1*h_to_c_1_2
4213  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
4214  h_to_c_2_3 = +2*alpha*h_to_c_1_2
4215  h_to_c_3_3 = +2*alpha*h_to_c_2_2
4216  h_to_c_0_4 = -1*h_to_c_1_3
4217  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
4218  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
4219  h_to_c_3_4 = +2*alpha*h_to_c_2_3
4220  h_to_c_4_4 = +2*alpha*h_to_c_3_3
4221  h_to_c_0_5 = -1*h_to_c_1_4
4222  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
4223  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
4224  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
4225  h_to_c_4_5 = +2*alpha*h_to_c_3_4
4226  h_to_c_5_5 = +2*alpha*h_to_c_4_4
4227  h_to_c_0_6 = -1*h_to_c_1_5
4228  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
4229  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
4230  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
4231  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
4232  h_to_c_5_6 = +2*alpha*h_to_c_4_5
4233  h_to_c_6_6 = +2*alpha*h_to_c_5_5
4234 
4235 
4236  rr1_delta = (ra - rb)/dr
4237 
4238  rr1_l = ceiling(-r_c(1) + rr1_delta)
4239  rr1_r = floor(r_c(1) + rr1_delta)
4240 
4241  r1 = rr1_l*dr
4242 
4243  alpha_e = zeta*zetb/(zeta + zetb)
4244 
4245  DO rr1 = rr1_l, rr1_r
4246  s_r_t_0 = 0.0_dp
4247  s_r_t2_0 = 0.0_dp
4248  s_r_t_1 = 0.0_dp
4249  s_r_t2_1 = 0.0_dp
4250  s_r_t_2 = 0.0_dp
4251  s_r_t2_2 = 0.0_dp
4252  s_r_t_3 = 0.0_dp
4253  s_r_t2_3 = 0.0_dp
4254  s_r_t_4 = 0.0_dp
4255  s_r_t2_4 = 0.0_dp
4256  s_r_t_5 = 0.0_dp
4257  s_r_t2_5 = 0.0_dp
4258  s_r_t_6 = 0.0_dp
4259  s_r_t2_6 = 0.0_dp
4260  r_tmp = r_offset + r1*zeta/(zeta + zetb)
4261  rr2_delta = -r_tmp/dr
4262 
4263  rr2_l = ceiling(-r_c(2) + rr2_delta)
4264  rr2_r = floor(r_c(2) + rr2_delta)
4265 
4266  r = r_tmp + (rr2_l)*dr
4267 
4268 
4269  DO rr2 = rr2_l, rr2_r
4270  r_pow_t = 1.0_dp
4271  exp2_rsq = exp(-alpha*r*r)
4272  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
4273  r_pow_t = r_pow_t*r
4274  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
4275  r_pow_t = r_pow_t*r
4276  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
4277  r_pow_t = r_pow_t*r
4278  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
4279  r_pow_t = r_pow_t*r
4280  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
4281  r_pow_t = r_pow_t*r
4282  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
4283  r_pow_t = r_pow_t*r
4284  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
4285 
4286  r = r + dr
4287  END DO
4288 
4289  ! C --> H
4290  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
4291  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
4292  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
4293  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
4294  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
4295  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
4296  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
4297  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
4298  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
4299  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
4300  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
4301  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
4302  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
4303  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
4304  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
4305  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
4306  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
4307  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
4308  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
4309  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
4310  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
4311  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
4312  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
4313  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
4314  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
4315  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
4316  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
4317  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
4318 
4319  ! H --> HH
4320  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
4321 
4322  c1 = 1.0_dp/(zeta + zetb)
4323  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
4324  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
4325 
4326  e_0_0_1 = zetb*( &
4327  +c3*e_0_0_0&
4328 
4329  )
4330  e_1_0_1 = zetb*( c1*e_0_0_0 &
4331 
4332 
4333  )
4334  e_0_0_2 = zetb*( &
4335  +c3*e_0_0_1&
4336  +2*e_1_0_1 &
4337  -2*e_0_0_0)
4338  e_1_0_2 = zetb*( c1*e_0_0_1 &
4339  +c3*e_1_0_1&
4340 
4341  )
4342  e_2_0_2 = zetb*( c1*e_1_0_1 &
4343 
4344 
4345  )
4346 
4347  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
4348  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
4349  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
4350  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
4351  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
4352  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
4353  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
4354  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
4355  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
4356  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
4357  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
4358  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
4359  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
4360  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
4361  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
4362  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
4363  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
4364  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
4365  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
4366  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
4367  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
4368  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
4369  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
4370  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
4371  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
4372  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
4373  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
4374  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
4375  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
4376  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
4377  r1 = r1 + dr
4378  END DO
4379 
4380  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
4381  END SUBROUTINE
4382  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_3_0_exp_0 ( &
4383  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
4384  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
4385  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
4386  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
4387  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
4388  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
4389  r_pow_t, r_tmp, rr1_delta, rr2_delta
4390 
4391  REAL(kind=dp) :: c1, c2, c3
4392  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
4393  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
4394  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
4395  & h_to_c_3_3
4396  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3
4397 
4398 
4399  dr = lgth
4400  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
4401 
4402  s_r(:, :, :) = 0.0_dp
4403 
4404  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
4405 
4406  h_to_c_0_0 = sqrt(alpha/pi)
4407 
4408  h_to_c_0_1 = 0.0_dp
4409  h_to_c_1_1 = +2*alpha*h_to_c_0_0
4410  h_to_c_0_2 = -1*h_to_c_1_1
4411  h_to_c_1_2 = +2*alpha*h_to_c_0_1
4412  h_to_c_2_2 = +2*alpha*h_to_c_1_1
4413  h_to_c_0_3 = -1*h_to_c_1_2
4414  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
4415  h_to_c_2_3 = +2*alpha*h_to_c_1_2
4416  h_to_c_3_3 = +2*alpha*h_to_c_2_2
4417 
4418 
4419  rr1_delta = (ra - rb)/dr
4420 
4421  rr1_l = ceiling(-r_c(1) + rr1_delta)
4422  rr1_r = floor(r_c(1) + rr1_delta)
4423 
4424  r1 = rr1_l*dr
4425 
4426  alpha_e = zeta*zetb/(zeta + zetb)
4427 
4428  DO rr1 = rr1_l, rr1_r
4429  s_r_t_0 = 0.0_dp
4430  s_r_t2_0 = 0.0_dp
4431  s_r_t_1 = 0.0_dp
4432  s_r_t2_1 = 0.0_dp
4433  s_r_t_2 = 0.0_dp
4434  s_r_t2_2 = 0.0_dp
4435  s_r_t_3 = 0.0_dp
4436  s_r_t2_3 = 0.0_dp
4437  r_tmp = r_offset + r1*zeta/(zeta + zetb)
4438  rr2_delta = -r_tmp/dr
4439 
4440  rr2_l = ceiling(-r_c(2) + rr2_delta)
4441  rr2_r = floor(r_c(2) + rr2_delta)
4442 
4443  r = r_tmp + (rr2_l)*dr
4444 
4445 
4446  DO rr2 = rr2_l, rr2_r
4447  r_pow_t = 1.0_dp
4448  exp2_rsq = exp(-alpha*r*r)
4449  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
4450  r_pow_t = r_pow_t*r
4451  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
4452  r_pow_t = r_pow_t*r
4453  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
4454  r_pow_t = r_pow_t*r
4455  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
4456 
4457  r = r + dr
4458  END DO
4459 
4460  ! C --> H
4461  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
4462  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
4463  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
4464  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
4465  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
4466  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
4467  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
4468  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
4469  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
4470  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
4471 
4472  ! H --> HH
4473  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
4474 
4475  c1 = 1.0_dp/(zeta + zetb)
4476  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
4477  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
4478 
4479  e_0_0_1 = zetb*( &
4480  +c3*e_0_0_0&
4481 
4482  )
4483  e_1_0_1 = zetb*( c1*e_0_0_0 &
4484 
4485 
4486  )
4487  e_0_0_2 = zetb*( &
4488  +c3*e_0_0_1&
4489  +2*e_1_0_1 &
4490  -2*e_0_0_0)
4491  e_1_0_2 = zetb*( c1*e_0_0_1 &
4492  +c3*e_1_0_1&
4493 
4494  )
4495  e_2_0_2 = zetb*( c1*e_1_0_1 &
4496 
4497 
4498  )
4499  e_0_0_3 = zetb*( &
4500  +c3*e_0_0_2&
4501  +2*e_1_0_2 &
4502  -4*e_0_0_1)
4503  e_1_0_3 = zetb*( c1*e_0_0_2 &
4504  +c3*e_1_0_2&
4505  +4*e_2_0_2 &
4506  -4*e_1_0_1)
4507  e_2_0_3 = zetb*( c1*e_1_0_2 &
4508  +c3*e_2_0_2&
4509 
4510  )
4511  e_3_0_3 = zetb*( c1*e_2_0_2 &
4512 
4513 
4514  )
4515 
4516  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
4517  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
4518  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
4519  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
4520  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
4521  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
4522  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
4523  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
4524  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
4525  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
4526  r1 = r1 + dr
4527  END DO
4528 
4529  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
4530  END SUBROUTINE
4531  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_3_1_exp_0 ( &
4532  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
4533  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
4534  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
4535  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
4536  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
4537  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
4538  r_pow_t, r_tmp, rr1_delta, rr2_delta
4539 
4540  REAL(kind=dp) :: c1, c2, c3
4541  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
4542  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
4543  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
4544  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
4545  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3
4546 
4547 
4548  dr = lgth
4549  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
4550 
4551  s_r(:, :, :) = 0.0_dp
4552 
4553  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
4554 
4555  h_to_c_0_0 = sqrt(alpha/pi)
4556 
4557  h_to_c_0_1 = 0.0_dp
4558  h_to_c_1_1 = +2*alpha*h_to_c_0_0
4559  h_to_c_0_2 = -1*h_to_c_1_1
4560  h_to_c_1_2 = +2*alpha*h_to_c_0_1
4561  h_to_c_2_2 = +2*alpha*h_to_c_1_1
4562  h_to_c_0_3 = -1*h_to_c_1_2
4563  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
4564  h_to_c_2_3 = +2*alpha*h_to_c_1_2
4565  h_to_c_3_3 = +2*alpha*h_to_c_2_2
4566  h_to_c_0_4 = -1*h_to_c_1_3
4567  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
4568  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
4569  h_to_c_3_4 = +2*alpha*h_to_c_2_3
4570  h_to_c_4_4 = +2*alpha*h_to_c_3_3
4571 
4572 
4573  rr1_delta = (ra - rb)/dr
4574 
4575  rr1_l = ceiling(-r_c(1) + rr1_delta)
4576  rr1_r = floor(r_c(1) + rr1_delta)
4577 
4578  r1 = rr1_l*dr
4579 
4580  alpha_e = zeta*zetb/(zeta + zetb)
4581 
4582  DO rr1 = rr1_l, rr1_r
4583  s_r_t_0 = 0.0_dp
4584  s_r_t2_0 = 0.0_dp
4585  s_r_t_1 = 0.0_dp
4586  s_r_t2_1 = 0.0_dp
4587  s_r_t_2 = 0.0_dp
4588  s_r_t2_2 = 0.0_dp
4589  s_r_t_3 = 0.0_dp
4590  s_r_t2_3 = 0.0_dp
4591  s_r_t_4 = 0.0_dp
4592  s_r_t2_4 = 0.0_dp
4593  r_tmp = r_offset + r1*zeta/(zeta + zetb)
4594  rr2_delta = -r_tmp/dr
4595 
4596  rr2_l = ceiling(-r_c(2) + rr2_delta)
4597  rr2_r = floor(r_c(2) + rr2_delta)
4598 
4599  r = r_tmp + (rr2_l)*dr
4600 
4601 
4602  DO rr2 = rr2_l, rr2_r
4603  r_pow_t = 1.0_dp
4604  exp2_rsq = exp(-alpha*r*r)
4605  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
4606  r_pow_t = r_pow_t*r
4607  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
4608  r_pow_t = r_pow_t*r
4609  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
4610  r_pow_t = r_pow_t*r
4611  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
4612  r_pow_t = r_pow_t*r
4613  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
4614 
4615  r = r + dr
4616  END DO
4617 
4618  ! C --> H
4619  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
4620  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
4621  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
4622  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
4623  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
4624  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
4625  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
4626  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
4627  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
4628  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
4629  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
4630  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
4631  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
4632  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
4633  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
4634 
4635  ! H --> HH
4636  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
4637 
4638  c1 = 1.0_dp/(zeta + zetb)
4639  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
4640  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
4641 
4642  e_0_0_1 = zetb*( &
4643  +c3*e_0_0_0&
4644 
4645  )
4646  e_1_0_1 = zetb*( c1*e_0_0_0 &
4647 
4648 
4649  )
4650  e_0_0_2 = zetb*( &
4651  +c3*e_0_0_1&
4652  +2*e_1_0_1 &
4653  -2*e_0_0_0)
4654  e_1_0_2 = zetb*( c1*e_0_0_1 &
4655  +c3*e_1_0_1&
4656 
4657  )
4658  e_2_0_2 = zetb*( c1*e_1_0_1 &
4659 
4660 
4661  )
4662  e_0_0_3 = zetb*( &
4663  +c3*e_0_0_2&
4664  +2*e_1_0_2 &
4665  -4*e_0_0_1)
4666  e_1_0_3 = zetb*( c1*e_0_0_2 &
4667  +c3*e_1_0_2&
4668  +4*e_2_0_2 &
4669  -4*e_1_0_1)
4670  e_2_0_3 = zetb*( c1*e_1_0_2 &
4671  +c3*e_2_0_2&
4672 
4673  )
4674  e_3_0_3 = zetb*( c1*e_2_0_2 &
4675 
4676 
4677  )
4678 
4679  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
4680  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
4681  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
4682  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
4683  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
4684  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
4685  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
4686  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
4687  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
4688  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
4689  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
4690  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
4691  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
4692  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
4693  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
4694  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
4695  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
4696  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
4697  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
4698  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
4699  r1 = r1 + dr
4700  END DO
4701 
4702  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
4703  END SUBROUTINE
4704  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_3_2_exp_0 ( &
4705  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
4706  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
4707  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
4708  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
4709  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
4710  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
4711  r_pow_t, r_tmp, rr1_delta, rr2_delta
4712 
4713  REAL(kind=dp) :: c1, c2, c3
4714  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
4715  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
4716  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
4717  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
4718  & h_to_c_4_5, h_to_c_5_5
4719  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3
4720 
4721 
4722  dr = lgth
4723  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
4724 
4725  s_r(:, :, :) = 0.0_dp
4726 
4727  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
4728 
4729  h_to_c_0_0 = sqrt(alpha/pi)
4730 
4731  h_to_c_0_1 = 0.0_dp
4732  h_to_c_1_1 = +2*alpha*h_to_c_0_0
4733  h_to_c_0_2 = -1*h_to_c_1_1
4734  h_to_c_1_2 = +2*alpha*h_to_c_0_1
4735  h_to_c_2_2 = +2*alpha*h_to_c_1_1
4736  h_to_c_0_3 = -1*h_to_c_1_2
4737  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
4738  h_to_c_2_3 = +2*alpha*h_to_c_1_2
4739  h_to_c_3_3 = +2*alpha*h_to_c_2_2
4740  h_to_c_0_4 = -1*h_to_c_1_3
4741  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
4742  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
4743  h_to_c_3_4 = +2*alpha*h_to_c_2_3
4744  h_to_c_4_4 = +2*alpha*h_to_c_3_3
4745  h_to_c_0_5 = -1*h_to_c_1_4
4746  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
4747  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
4748  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
4749  h_to_c_4_5 = +2*alpha*h_to_c_3_4
4750  h_to_c_5_5 = +2*alpha*h_to_c_4_4
4751 
4752 
4753  rr1_delta = (ra - rb)/dr
4754 
4755  rr1_l = ceiling(-r_c(1) + rr1_delta)
4756  rr1_r = floor(r_c(1) + rr1_delta)
4757 
4758  r1 = rr1_l*dr
4759 
4760  alpha_e = zeta*zetb/(zeta + zetb)
4761 
4762  DO rr1 = rr1_l, rr1_r
4763  s_r_t_0 = 0.0_dp
4764  s_r_t2_0 = 0.0_dp
4765  s_r_t_1 = 0.0_dp
4766  s_r_t2_1 = 0.0_dp
4767  s_r_t_2 = 0.0_dp
4768  s_r_t2_2 = 0.0_dp
4769  s_r_t_3 = 0.0_dp
4770  s_r_t2_3 = 0.0_dp
4771  s_r_t_4 = 0.0_dp
4772  s_r_t2_4 = 0.0_dp
4773  s_r_t_5 = 0.0_dp
4774  s_r_t2_5 = 0.0_dp
4775  r_tmp = r_offset + r1*zeta/(zeta + zetb)
4776  rr2_delta = -r_tmp/dr
4777 
4778  rr2_l = ceiling(-r_c(2) + rr2_delta)
4779  rr2_r = floor(r_c(2) + rr2_delta)
4780 
4781  r = r_tmp + (rr2_l)*dr
4782 
4783 
4784  DO rr2 = rr2_l, rr2_r
4785  r_pow_t = 1.0_dp
4786  exp2_rsq = exp(-alpha*r*r)
4787  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
4788  r_pow_t = r_pow_t*r
4789  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
4790  r_pow_t = r_pow_t*r
4791  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
4792  r_pow_t = r_pow_t*r
4793  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
4794  r_pow_t = r_pow_t*r
4795  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
4796  r_pow_t = r_pow_t*r
4797  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
4798 
4799  r = r + dr
4800  END DO
4801 
4802  ! C --> H
4803  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
4804  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
4805  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
4806  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
4807  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
4808  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
4809  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
4810  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
4811  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
4812  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
4813  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
4814  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
4815  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
4816  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
4817  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
4818  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
4819  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
4820  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
4821  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
4822  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
4823  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
4824 
4825  ! H --> HH
4826  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
4827 
4828  c1 = 1.0_dp/(zeta + zetb)
4829  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
4830  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
4831 
4832  e_0_0_1 = zetb*( &
4833  +c3*e_0_0_0&
4834 
4835  )
4836  e_1_0_1 = zetb*( c1*e_0_0_0 &
4837 
4838 
4839  )
4840  e_0_0_2 = zetb*( &
4841  +c3*e_0_0_1&
4842  +2*e_1_0_1 &
4843  -2*e_0_0_0)
4844  e_1_0_2 = zetb*( c1*e_0_0_1 &
4845  +c3*e_1_0_1&
4846 
4847  )
4848  e_2_0_2 = zetb*( c1*e_1_0_1 &
4849 
4850 
4851  )
4852  e_0_0_3 = zetb*( &
4853  +c3*e_0_0_2&
4854  +2*e_1_0_2 &
4855  -4*e_0_0_1)
4856  e_1_0_3 = zetb*( c1*e_0_0_2 &
4857  +c3*e_1_0_2&
4858  +4*e_2_0_2 &
4859  -4*e_1_0_1)
4860  e_2_0_3 = zetb*( c1*e_1_0_2 &
4861  +c3*e_2_0_2&
4862 
4863  )
4864  e_3_0_3 = zetb*( c1*e_2_0_2 &
4865 
4866 
4867  )
4868 
4869  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
4870  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
4871  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
4872  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
4873  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
4874  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
4875  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
4876  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
4877  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
4878  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
4879  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
4880  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
4881  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
4882  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
4883  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
4884  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
4885  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
4886  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
4887  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
4888  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
4889  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
4890  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
4891  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
4892  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
4893  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
4894  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
4895  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
4896  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
4897  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
4898  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
4899  r1 = r1 + dr
4900  END DO
4901 
4902  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
4903  END SUBROUTINE
4904  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_3_3_exp_0 ( &
4905  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
4906  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
4907  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
4908  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
4909  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
4910  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
4911  r_pow_t, r_tmp, rr1_delta, rr2_delta
4912 
4913  REAL(kind=dp) :: c1, c2, c3
4914  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
4915  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
4916  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
4917  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
4918  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
4919  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3
4920 
4921 
4922  dr = lgth
4923  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
4924 
4925  s_r(:, :, :) = 0.0_dp
4926 
4927  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
4928 
4929  h_to_c_0_0 = sqrt(alpha/pi)
4930 
4931  h_to_c_0_1 = 0.0_dp
4932  h_to_c_1_1 = +2*alpha*h_to_c_0_0
4933  h_to_c_0_2 = -1*h_to_c_1_1
4934  h_to_c_1_2 = +2*alpha*h_to_c_0_1
4935  h_to_c_2_2 = +2*alpha*h_to_c_1_1
4936  h_to_c_0_3 = -1*h_to_c_1_2
4937  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
4938  h_to_c_2_3 = +2*alpha*h_to_c_1_2
4939  h_to_c_3_3 = +2*alpha*h_to_c_2_2
4940  h_to_c_0_4 = -1*h_to_c_1_3
4941  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
4942  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
4943  h_to_c_3_4 = +2*alpha*h_to_c_2_3
4944  h_to_c_4_4 = +2*alpha*h_to_c_3_3
4945  h_to_c_0_5 = -1*h_to_c_1_4
4946  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
4947  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
4948  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
4949  h_to_c_4_5 = +2*alpha*h_to_c_3_4
4950  h_to_c_5_5 = +2*alpha*h_to_c_4_4
4951  h_to_c_0_6 = -1*h_to_c_1_5
4952  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
4953  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
4954  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
4955  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
4956  h_to_c_5_6 = +2*alpha*h_to_c_4_5
4957  h_to_c_6_6 = +2*alpha*h_to_c_5_5
4958 
4959 
4960  rr1_delta = (ra - rb)/dr
4961 
4962  rr1_l = ceiling(-r_c(1) + rr1_delta)
4963  rr1_r = floor(r_c(1) + rr1_delta)
4964 
4965  r1 = rr1_l*dr
4966 
4967  alpha_e = zeta*zetb/(zeta + zetb)
4968 
4969  DO rr1 = rr1_l, rr1_r
4970  s_r_t_0 = 0.0_dp
4971  s_r_t2_0 = 0.0_dp
4972  s_r_t_1 = 0.0_dp
4973  s_r_t2_1 = 0.0_dp
4974  s_r_t_2 = 0.0_dp
4975  s_r_t2_2 = 0.0_dp
4976  s_r_t_3 = 0.0_dp
4977  s_r_t2_3 = 0.0_dp
4978  s_r_t_4 = 0.0_dp
4979  s_r_t2_4 = 0.0_dp
4980  s_r_t_5 = 0.0_dp
4981  s_r_t2_5 = 0.0_dp
4982  s_r_t_6 = 0.0_dp
4983  s_r_t2_6 = 0.0_dp
4984  r_tmp = r_offset + r1*zeta/(zeta + zetb)
4985  rr2_delta = -r_tmp/dr
4986 
4987  rr2_l = ceiling(-r_c(2) + rr2_delta)
4988  rr2_r = floor(r_c(2) + rr2_delta)
4989 
4990  r = r_tmp + (rr2_l)*dr
4991 
4992 
4993  DO rr2 = rr2_l, rr2_r
4994  r_pow_t = 1.0_dp
4995  exp2_rsq = exp(-alpha*r*r)
4996  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
4997  r_pow_t = r_pow_t*r
4998  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
4999  r_pow_t = r_pow_t*r
5000  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
5001  r_pow_t = r_pow_t*r
5002  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
5003  r_pow_t = r_pow_t*r
5004  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
5005  r_pow_t = r_pow_t*r
5006  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
5007  r_pow_t = r_pow_t*r
5008  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
5009 
5010  r = r + dr
5011  END DO
5012 
5013  ! C --> H
5014  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
5015  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
5016  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
5017  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
5018  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
5019  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
5020  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
5021  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
5022  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
5023  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
5024  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
5025  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
5026  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
5027  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
5028  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
5029  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
5030  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
5031  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
5032  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
5033  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
5034  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
5035  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
5036  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
5037  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
5038  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
5039  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
5040  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
5041  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
5042 
5043  ! H --> HH
5044  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
5045 
5046  c1 = 1.0_dp/(zeta + zetb)
5047  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
5048  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
5049 
5050  e_0_0_1 = zetb*( &
5051  +c3*e_0_0_0&
5052 
5053  )
5054  e_1_0_1 = zetb*( c1*e_0_0_0 &
5055 
5056 
5057  )
5058  e_0_0_2 = zetb*( &
5059  +c3*e_0_0_1&
5060  +2*e_1_0_1 &
5061  -2*e_0_0_0)
5062  e_1_0_2 = zetb*( c1*e_0_0_1 &
5063  +c3*e_1_0_1&
5064 
5065  )
5066  e_2_0_2 = zetb*( c1*e_1_0_1 &
5067 
5068 
5069  )
5070  e_0_0_3 = zetb*( &
5071  +c3*e_0_0_2&
5072  +2*e_1_0_2 &
5073  -4*e_0_0_1)
5074  e_1_0_3 = zetb*( c1*e_0_0_2 &
5075  +c3*e_1_0_2&
5076  +4*e_2_0_2 &
5077  -4*e_1_0_1)
5078  e_2_0_3 = zetb*( c1*e_1_0_2 &
5079  +c3*e_2_0_2&
5080 
5081  )
5082  e_3_0_3 = zetb*( c1*e_2_0_2 &
5083 
5084 
5085  )
5086 
5087  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
5088  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
5089  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
5090  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
5091  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
5092  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
5093  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
5094  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
5095  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
5096  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
5097  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
5098  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
5099  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
5100  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
5101  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
5102  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
5103  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
5104  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
5105  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
5106  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
5107  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
5108  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
5109  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
5110  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
5111  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
5112  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
5113  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
5114  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
5115  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
5116  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
5117  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
5118  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
5119  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
5120  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
5121  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
5122  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
5123  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
5124  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
5125  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
5126  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
5127  r1 = r1 + dr
5128  END DO
5129 
5130  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
5131  END SUBROUTINE
5132  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_3_4_exp_0 ( &
5133  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
5134  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
5135  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
5136  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
5137  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
5138  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
5139  r_pow_t, r_tmp, rr1_delta, rr2_delta
5140 
5141  REAL(kind=dp) :: c1, c2, c3
5142  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
5143  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
5144  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
5145  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
5146  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
5147  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
5148  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3
5149 
5150 
5151  dr = lgth
5152  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
5153 
5154  s_r(:, :, :) = 0.0_dp
5155 
5156  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
5157 
5158  h_to_c_0_0 = sqrt(alpha/pi)
5159 
5160  h_to_c_0_1 = 0.0_dp
5161  h_to_c_1_1 = +2*alpha*h_to_c_0_0
5162  h_to_c_0_2 = -1*h_to_c_1_1
5163  h_to_c_1_2 = +2*alpha*h_to_c_0_1
5164  h_to_c_2_2 = +2*alpha*h_to_c_1_1
5165  h_to_c_0_3 = -1*h_to_c_1_2
5166  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
5167  h_to_c_2_3 = +2*alpha*h_to_c_1_2
5168  h_to_c_3_3 = +2*alpha*h_to_c_2_2
5169  h_to_c_0_4 = -1*h_to_c_1_3
5170  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
5171  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
5172  h_to_c_3_4 = +2*alpha*h_to_c_2_3
5173  h_to_c_4_4 = +2*alpha*h_to_c_3_3
5174  h_to_c_0_5 = -1*h_to_c_1_4
5175  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
5176  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
5177  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
5178  h_to_c_4_5 = +2*alpha*h_to_c_3_4
5179  h_to_c_5_5 = +2*alpha*h_to_c_4_4
5180  h_to_c_0_6 = -1*h_to_c_1_5
5181  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
5182  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
5183  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
5184  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
5185  h_to_c_5_6 = +2*alpha*h_to_c_4_5
5186  h_to_c_6_6 = +2*alpha*h_to_c_5_5
5187  h_to_c_0_7 = -1*h_to_c_1_6
5188  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
5189  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
5190  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
5191  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
5192  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
5193  h_to_c_6_7 = +2*alpha*h_to_c_5_6
5194  h_to_c_7_7 = +2*alpha*h_to_c_6_6
5195 
5196 
5197  rr1_delta = (ra - rb)/dr
5198 
5199  rr1_l = ceiling(-r_c(1) + rr1_delta)
5200  rr1_r = floor(r_c(1) + rr1_delta)
5201 
5202  r1 = rr1_l*dr
5203 
5204  alpha_e = zeta*zetb/(zeta + zetb)
5205 
5206  DO rr1 = rr1_l, rr1_r
5207  s_r_t_0 = 0.0_dp
5208  s_r_t2_0 = 0.0_dp
5209  s_r_t_1 = 0.0_dp
5210  s_r_t2_1 = 0.0_dp
5211  s_r_t_2 = 0.0_dp
5212  s_r_t2_2 = 0.0_dp
5213  s_r_t_3 = 0.0_dp
5214  s_r_t2_3 = 0.0_dp
5215  s_r_t_4 = 0.0_dp
5216  s_r_t2_4 = 0.0_dp
5217  s_r_t_5 = 0.0_dp
5218  s_r_t2_5 = 0.0_dp
5219  s_r_t_6 = 0.0_dp
5220  s_r_t2_6 = 0.0_dp
5221  s_r_t_7 = 0.0_dp
5222  s_r_t2_7 = 0.0_dp
5223  r_tmp = r_offset + r1*zeta/(zeta + zetb)
5224  rr2_delta = -r_tmp/dr
5225 
5226  rr2_l = ceiling(-r_c(2) + rr2_delta)
5227  rr2_r = floor(r_c(2) + rr2_delta)
5228 
5229  r = r_tmp + (rr2_l)*dr
5230 
5231 
5232  DO rr2 = rr2_l, rr2_r
5233  r_pow_t = 1.0_dp
5234  exp2_rsq = exp(-alpha*r*r)
5235  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
5236  r_pow_t = r_pow_t*r
5237  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
5238  r_pow_t = r_pow_t*r
5239  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
5240  r_pow_t = r_pow_t*r
5241  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
5242  r_pow_t = r_pow_t*r
5243  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
5244  r_pow_t = r_pow_t*r
5245  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
5246  r_pow_t = r_pow_t*r
5247  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
5248  r_pow_t = r_pow_t*r
5249  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
5250 
5251  r = r + dr
5252  END DO
5253 
5254  ! C --> H
5255  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
5256  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
5257  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
5258  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
5259  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
5260  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
5261  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
5262  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
5263  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
5264  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
5265  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
5266  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
5267  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
5268  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
5269  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
5270  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
5271  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
5272  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
5273  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
5274  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
5275  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
5276  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
5277  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
5278  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
5279  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
5280  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
5281  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
5282  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
5283  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
5284  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
5285  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
5286  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
5287  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
5288  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
5289  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
5290  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
5291 
5292  ! H --> HH
5293  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
5294 
5295  c1 = 1.0_dp/(zeta + zetb)
5296  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
5297  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
5298 
5299  e_0_0_1 = zetb*( &
5300  +c3*e_0_0_0&
5301 
5302  )
5303  e_1_0_1 = zetb*( c1*e_0_0_0 &
5304 
5305 
5306  )
5307  e_0_0_2 = zetb*( &
5308  +c3*e_0_0_1&
5309  +2*e_1_0_1 &
5310  -2*e_0_0_0)
5311  e_1_0_2 = zetb*( c1*e_0_0_1 &
5312  +c3*e_1_0_1&
5313 
5314  )
5315  e_2_0_2 = zetb*( c1*e_1_0_1 &
5316 
5317 
5318  )
5319  e_0_0_3 = zetb*( &
5320  +c3*e_0_0_2&
5321  +2*e_1_0_2 &
5322  -4*e_0_0_1)
5323  e_1_0_3 = zetb*( c1*e_0_0_2 &
5324  +c3*e_1_0_2&
5325  +4*e_2_0_2 &
5326  -4*e_1_0_1)
5327  e_2_0_3 = zetb*( c1*e_1_0_2 &
5328  +c3*e_2_0_2&
5329 
5330  )
5331  e_3_0_3 = zetb*( c1*e_2_0_2 &
5332 
5333 
5334  )
5335 
5336  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
5337  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
5338  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
5339  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
5340  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
5341  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
5342  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
5343  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
5344  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
5345  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
5346  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
5347  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
5348  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
5349  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
5350  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
5351  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
5352  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
5353  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
5354  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
5355  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
5356  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
5357  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
5358  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
5359  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
5360  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
5361  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
5362  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
5363  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
5364  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
5365  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
5366  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
5367  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
5368  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
5369  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
5370  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
5371  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
5372  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
5373  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
5374  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
5375  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
5376  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
5377  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
5378  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
5379  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
5380  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
5381  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
5382  s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
5383  s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
5384  s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
5385  s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
5386  r1 = r1 + dr
5387  END DO
5388 
5389  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
5390  END SUBROUTINE
5391  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_4_0_exp_0 ( &
5392  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
5393  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
5394  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
5395  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
5396  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
5397  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
5398  r_pow_t, r_tmp, rr1_delta, rr2_delta
5399 
5400  REAL(kind=dp) :: c1, c2, c3
5401  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
5402  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
5403  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
5404  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
5405  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_0_4, e_1_0_4,&
5406  & e_2_0_4, e_3_0_4, e_4_0_4
5407 
5408 
5409  dr = lgth
5410  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
5411 
5412  s_r(:, :, :) = 0.0_dp
5413 
5414  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
5415 
5416  h_to_c_0_0 = sqrt(alpha/pi)
5417 
5418  h_to_c_0_1 = 0.0_dp
5419  h_to_c_1_1 = +2*alpha*h_to_c_0_0
5420  h_to_c_0_2 = -1*h_to_c_1_1
5421  h_to_c_1_2 = +2*alpha*h_to_c_0_1
5422  h_to_c_2_2 = +2*alpha*h_to_c_1_1
5423  h_to_c_0_3 = -1*h_to_c_1_2
5424  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
5425  h_to_c_2_3 = +2*alpha*h_to_c_1_2
5426  h_to_c_3_3 = +2*alpha*h_to_c_2_2
5427  h_to_c_0_4 = -1*h_to_c_1_3
5428  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
5429  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
5430  h_to_c_3_4 = +2*alpha*h_to_c_2_3
5431  h_to_c_4_4 = +2*alpha*h_to_c_3_3
5432 
5433 
5434  rr1_delta = (ra - rb)/dr
5435 
5436  rr1_l = ceiling(-r_c(1) + rr1_delta)
5437  rr1_r = floor(r_c(1) + rr1_delta)
5438 
5439  r1 = rr1_l*dr
5440 
5441  alpha_e = zeta*zetb/(zeta + zetb)
5442 
5443  DO rr1 = rr1_l, rr1_r
5444  s_r_t_0 = 0.0_dp
5445  s_r_t2_0 = 0.0_dp
5446  s_r_t_1 = 0.0_dp
5447  s_r_t2_1 = 0.0_dp
5448  s_r_t_2 = 0.0_dp
5449  s_r_t2_2 = 0.0_dp
5450  s_r_t_3 = 0.0_dp
5451  s_r_t2_3 = 0.0_dp
5452  s_r_t_4 = 0.0_dp
5453  s_r_t2_4 = 0.0_dp
5454  r_tmp = r_offset + r1*zeta/(zeta + zetb)
5455  rr2_delta = -r_tmp/dr
5456 
5457  rr2_l = ceiling(-r_c(2) + rr2_delta)
5458  rr2_r = floor(r_c(2) + rr2_delta)
5459 
5460  r = r_tmp + (rr2_l)*dr
5461 
5462 
5463  DO rr2 = rr2_l, rr2_r
5464  r_pow_t = 1.0_dp
5465  exp2_rsq = exp(-alpha*r*r)
5466  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
5467  r_pow_t = r_pow_t*r
5468  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
5469  r_pow_t = r_pow_t*r
5470  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
5471  r_pow_t = r_pow_t*r
5472  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
5473  r_pow_t = r_pow_t*r
5474  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
5475 
5476  r = r + dr
5477  END DO
5478 
5479  ! C --> H
5480  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
5481  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
5482  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
5483  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
5484  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
5485  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
5486  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
5487  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
5488  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
5489  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
5490  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
5491  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
5492  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
5493  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
5494  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
5495 
5496  ! H --> HH
5497  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
5498 
5499  c1 = 1.0_dp/(zeta + zetb)
5500  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
5501  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
5502 
5503  e_0_0_1 = zetb*( &
5504  +c3*e_0_0_0&
5505 
5506  )
5507  e_1_0_1 = zetb*( c1*e_0_0_0 &
5508 
5509 
5510  )
5511  e_0_0_2 = zetb*( &
5512  +c3*e_0_0_1&
5513  +2*e_1_0_1 &
5514  -2*e_0_0_0)
5515  e_1_0_2 = zetb*( c1*e_0_0_1 &
5516  +c3*e_1_0_1&
5517 
5518  )
5519  e_2_0_2 = zetb*( c1*e_1_0_1 &
5520 
5521 
5522  )
5523  e_0_0_3 = zetb*( &
5524  +c3*e_0_0_2&
5525  +2*e_1_0_2 &
5526  -4*e_0_0_1)
5527  e_1_0_3 = zetb*( c1*e_0_0_2 &
5528  +c3*e_1_0_2&
5529  +4*e_2_0_2 &
5530  -4*e_1_0_1)
5531  e_2_0_3 = zetb*( c1*e_1_0_2 &
5532  +c3*e_2_0_2&
5533 
5534  )
5535  e_3_0_3 = zetb*( c1*e_2_0_2 &
5536 
5537 
5538  )
5539  e_0_0_4 = zetb*( &
5540  +c3*e_0_0_3&
5541  +2*e_1_0_3 &
5542  -6*e_0_0_2)
5543  e_1_0_4 = zetb*( c1*e_0_0_3 &
5544  +c3*e_1_0_3&
5545  +4*e_2_0_3 &
5546  -6*e_1_0_2)
5547  e_2_0_4 = zetb*( c1*e_1_0_3 &
5548  +c3*e_2_0_3&
5549  +6*e_3_0_3 &
5550  -6*e_2_0_2)
5551  e_3_0_4 = zetb*( c1*e_2_0_3 &
5552  +c3*e_3_0_3&
5553 
5554  )
5555  e_4_0_4 = zetb*( c1*e_3_0_3 &
5556 
5557 
5558  )
5559 
5560  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
5561  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
5562  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
5563  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
5564  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
5565  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
5566  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
5567  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
5568  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
5569  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
5570  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
5571  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
5572  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
5573  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
5574  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
5575  r1 = r1 + dr
5576  END DO
5577 
5578  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
5579  END SUBROUTINE
5580  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_4_1_exp_0 ( &
5581  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
5582  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
5583  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
5584  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
5585  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
5586  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
5587  r_pow_t, r_tmp, rr1_delta, rr2_delta
5588 
5589  REAL(kind=dp) :: c1, c2, c3
5590  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
5591  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
5592  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
5593  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
5594  & h_to_c_4_5, h_to_c_5_5
5595  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_0_4, e_1_0_4,&
5596  & e_2_0_4, e_3_0_4, e_4_0_4
5597 
5598 
5599  dr = lgth
5600  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
5601 
5602  s_r(:, :, :) = 0.0_dp
5603 
5604  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
5605 
5606  h_to_c_0_0 = sqrt(alpha/pi)
5607 
5608  h_to_c_0_1 = 0.0_dp
5609  h_to_c_1_1 = +2*alpha*h_to_c_0_0
5610  h_to_c_0_2 = -1*h_to_c_1_1
5611  h_to_c_1_2 = +2*alpha*h_to_c_0_1
5612  h_to_c_2_2 = +2*alpha*h_to_c_1_1
5613  h_to_c_0_3 = -1*h_to_c_1_2
5614  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
5615  h_to_c_2_3 = +2*alpha*h_to_c_1_2
5616  h_to_c_3_3 = +2*alpha*h_to_c_2_2
5617  h_to_c_0_4 = -1*h_to_c_1_3
5618  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
5619  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
5620  h_to_c_3_4 = +2*alpha*h_to_c_2_3
5621  h_to_c_4_4 = +2*alpha*h_to_c_3_3
5622  h_to_c_0_5 = -1*h_to_c_1_4
5623  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
5624  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
5625  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
5626  h_to_c_4_5 = +2*alpha*h_to_c_3_4
5627  h_to_c_5_5 = +2*alpha*h_to_c_4_4
5628 
5629 
5630  rr1_delta = (ra - rb)/dr
5631 
5632  rr1_l = ceiling(-r_c(1) + rr1_delta)
5633  rr1_r = floor(r_c(1) + rr1_delta)
5634 
5635  r1 = rr1_l*dr
5636 
5637  alpha_e = zeta*zetb/(zeta + zetb)
5638 
5639  DO rr1 = rr1_l, rr1_r
5640  s_r_t_0 = 0.0_dp
5641  s_r_t2_0 = 0.0_dp
5642  s_r_t_1 = 0.0_dp
5643  s_r_t2_1 = 0.0_dp
5644  s_r_t_2 = 0.0_dp
5645  s_r_t2_2 = 0.0_dp
5646  s_r_t_3 = 0.0_dp
5647  s_r_t2_3 = 0.0_dp
5648  s_r_t_4 = 0.0_dp
5649  s_r_t2_4 = 0.0_dp
5650  s_r_t_5 = 0.0_dp
5651  s_r_t2_5 = 0.0_dp
5652  r_tmp = r_offset + r1*zeta/(zeta + zetb)
5653  rr2_delta = -r_tmp/dr
5654 
5655  rr2_l = ceiling(-r_c(2) + rr2_delta)
5656  rr2_r = floor(r_c(2) + rr2_delta)
5657 
5658  r = r_tmp + (rr2_l)*dr
5659 
5660 
5661  DO rr2 = rr2_l, rr2_r
5662  r_pow_t = 1.0_dp
5663  exp2_rsq = exp(-alpha*r*r)
5664  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
5665  r_pow_t = r_pow_t*r
5666  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
5667  r_pow_t = r_pow_t*r
5668  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
5669  r_pow_t = r_pow_t*r
5670  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
5671  r_pow_t = r_pow_t*r
5672  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
5673  r_pow_t = r_pow_t*r
5674  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
5675 
5676  r = r + dr
5677  END DO
5678 
5679  ! C --> H
5680  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
5681  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
5682  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
5683  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
5684  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
5685  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
5686  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
5687  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
5688  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
5689  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
5690  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
5691  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
5692  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
5693  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
5694  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
5695  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
5696  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
5697  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
5698  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
5699  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
5700  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
5701 
5702  ! H --> HH
5703  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
5704 
5705  c1 = 1.0_dp/(zeta + zetb)
5706  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
5707  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
5708 
5709  e_0_0_1 = zetb*( &
5710  +c3*e_0_0_0&
5711 
5712  )
5713  e_1_0_1 = zetb*( c1*e_0_0_0 &
5714 
5715 
5716  )
5717  e_0_0_2 = zetb*( &
5718  +c3*e_0_0_1&
5719  +2*e_1_0_1 &
5720  -2*e_0_0_0)
5721  e_1_0_2 = zetb*( c1*e_0_0_1 &
5722  +c3*e_1_0_1&
5723 
5724  )
5725  e_2_0_2 = zetb*( c1*e_1_0_1 &
5726 
5727 
5728  )
5729  e_0_0_3 = zetb*( &
5730  +c3*e_0_0_2&
5731  +2*e_1_0_2 &
5732  -4*e_0_0_1)
5733  e_1_0_3 = zetb*( c1*e_0_0_2 &
5734  +c3*e_1_0_2&
5735  +4*e_2_0_2 &
5736  -4*e_1_0_1)
5737  e_2_0_3 = zetb*( c1*e_1_0_2 &
5738  +c3*e_2_0_2&
5739 
5740  )
5741  e_3_0_3 = zetb*( c1*e_2_0_2 &
5742 
5743 
5744  )
5745  e_0_0_4 = zetb*( &
5746  +c3*e_0_0_3&
5747  +2*e_1_0_3 &
5748  -6*e_0_0_2)
5749  e_1_0_4 = zetb*( c1*e_0_0_3 &
5750  +c3*e_1_0_3&
5751  +4*e_2_0_3 &
5752  -6*e_1_0_2)
5753  e_2_0_4 = zetb*( c1*e_1_0_3 &
5754  +c3*e_2_0_3&
5755  +6*e_3_0_3 &
5756  -6*e_2_0_2)
5757  e_3_0_4 = zetb*( c1*e_2_0_3 &
5758  +c3*e_3_0_3&
5759 
5760  )
5761  e_4_0_4 = zetb*( c1*e_3_0_3 &
5762 
5763 
5764  )
5765 
5766  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
5767  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
5768  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
5769  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
5770  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
5771  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
5772  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
5773  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
5774  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
5775  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
5776  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
5777  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
5778  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
5779  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
5780  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
5781  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
5782  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
5783  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
5784  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
5785  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
5786  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
5787  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
5788  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
5789  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
5790  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
5791  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
5792  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
5793  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
5794  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
5795  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
5796  r1 = r1 + dr
5797  END DO
5798 
5799  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
5800  END SUBROUTINE
5801  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_4_2_exp_0 ( &
5802  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
5803  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
5804  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
5805  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
5806  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
5807  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
5808  r_pow_t, r_tmp, rr1_delta, rr2_delta
5809 
5810  REAL(kind=dp) :: c1, c2, c3
5811  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
5812  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
5813  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
5814  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
5815  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
5816  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_0_4, e_1_0_4,&
5817  & e_2_0_4, e_3_0_4, e_4_0_4
5818 
5819 
5820  dr = lgth
5821  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
5822 
5823  s_r(:, :, :) = 0.0_dp
5824 
5825  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
5826 
5827  h_to_c_0_0 = sqrt(alpha/pi)
5828 
5829  h_to_c_0_1 = 0.0_dp
5830  h_to_c_1_1 = +2*alpha*h_to_c_0_0
5831  h_to_c_0_2 = -1*h_to_c_1_1
5832  h_to_c_1_2 = +2*alpha*h_to_c_0_1
5833  h_to_c_2_2 = +2*alpha*h_to_c_1_1
5834  h_to_c_0_3 = -1*h_to_c_1_2
5835  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
5836  h_to_c_2_3 = +2*alpha*h_to_c_1_2
5837  h_to_c_3_3 = +2*alpha*h_to_c_2_2
5838  h_to_c_0_4 = -1*h_to_c_1_3
5839  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
5840  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
5841  h_to_c_3_4 = +2*alpha*h_to_c_2_3
5842  h_to_c_4_4 = +2*alpha*h_to_c_3_3
5843  h_to_c_0_5 = -1*h_to_c_1_4
5844  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
5845  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
5846  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
5847  h_to_c_4_5 = +2*alpha*h_to_c_3_4
5848  h_to_c_5_5 = +2*alpha*h_to_c_4_4
5849  h_to_c_0_6 = -1*h_to_c_1_5
5850  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
5851  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
5852  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
5853  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
5854  h_to_c_5_6 = +2*alpha*h_to_c_4_5
5855  h_to_c_6_6 = +2*alpha*h_to_c_5_5
5856 
5857 
5858  rr1_delta = (ra - rb)/dr
5859 
5860  rr1_l = ceiling(-r_c(1) + rr1_delta)
5861  rr1_r = floor(r_c(1) + rr1_delta)
5862 
5863  r1 = rr1_l*dr
5864 
5865  alpha_e = zeta*zetb/(zeta + zetb)
5866 
5867  DO rr1 = rr1_l, rr1_r
5868  s_r_t_0 = 0.0_dp
5869  s_r_t2_0 = 0.0_dp
5870  s_r_t_1 = 0.0_dp
5871  s_r_t2_1 = 0.0_dp
5872  s_r_t_2 = 0.0_dp
5873  s_r_t2_2 = 0.0_dp
5874  s_r_t_3 = 0.0_dp
5875  s_r_t2_3 = 0.0_dp
5876  s_r_t_4 = 0.0_dp
5877  s_r_t2_4 = 0.0_dp
5878  s_r_t_5 = 0.0_dp
5879  s_r_t2_5 = 0.0_dp
5880  s_r_t_6 = 0.0_dp
5881  s_r_t2_6 = 0.0_dp
5882  r_tmp = r_offset + r1*zeta/(zeta + zetb)
5883  rr2_delta = -r_tmp/dr
5884 
5885  rr2_l = ceiling(-r_c(2) + rr2_delta)
5886  rr2_r = floor(r_c(2) + rr2_delta)
5887 
5888  r = r_tmp + (rr2_l)*dr
5889 
5890 
5891  DO rr2 = rr2_l, rr2_r
5892  r_pow_t = 1.0_dp
5893  exp2_rsq = exp(-alpha*r*r)
5894  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
5895  r_pow_t = r_pow_t*r
5896  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
5897  r_pow_t = r_pow_t*r
5898  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
5899  r_pow_t = r_pow_t*r
5900  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
5901  r_pow_t = r_pow_t*r
5902  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
5903  r_pow_t = r_pow_t*r
5904  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
5905  r_pow_t = r_pow_t*r
5906  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
5907 
5908  r = r + dr
5909  END DO
5910 
5911  ! C --> H
5912  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
5913  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
5914  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
5915  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
5916  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
5917  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
5918  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
5919  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
5920  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
5921  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
5922  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
5923  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
5924  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
5925  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
5926  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
5927  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
5928  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
5929  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
5930  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
5931  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
5932  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
5933  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
5934  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
5935  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
5936  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
5937  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
5938  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
5939  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
5940 
5941  ! H --> HH
5942  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
5943 
5944  c1 = 1.0_dp/(zeta + zetb)
5945  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
5946  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
5947 
5948  e_0_0_1 = zetb*( &
5949  +c3*e_0_0_0&
5950 
5951  )
5952  e_1_0_1 = zetb*( c1*e_0_0_0 &
5953 
5954 
5955  )
5956  e_0_0_2 = zetb*( &
5957  +c3*e_0_0_1&
5958  +2*e_1_0_1 &
5959  -2*e_0_0_0)
5960  e_1_0_2 = zetb*( c1*e_0_0_1 &
5961  +c3*e_1_0_1&
5962 
5963  )
5964  e_2_0_2 = zetb*( c1*e_1_0_1 &
5965 
5966 
5967  )
5968  e_0_0_3 = zetb*( &
5969  +c3*e_0_0_2&
5970  +2*e_1_0_2 &
5971  -4*e_0_0_1)
5972  e_1_0_3 = zetb*( c1*e_0_0_2 &
5973  +c3*e_1_0_2&
5974  +4*e_2_0_2 &
5975  -4*e_1_0_1)
5976  e_2_0_3 = zetb*( c1*e_1_0_2 &
5977  +c3*e_2_0_2&
5978 
5979  )
5980  e_3_0_3 = zetb*( c1*e_2_0_2 &
5981 
5982 
5983  )
5984  e_0_0_4 = zetb*( &
5985  +c3*e_0_0_3&
5986  +2*e_1_0_3 &
5987  -6*e_0_0_2)
5988  e_1_0_4 = zetb*( c1*e_0_0_3 &
5989  +c3*e_1_0_3&
5990  +4*e_2_0_3 &
5991  -6*e_1_0_2)
5992  e_2_0_4 = zetb*( c1*e_1_0_3 &
5993  +c3*e_2_0_3&
5994  +6*e_3_0_3 &
5995  -6*e_2_0_2)
5996  e_3_0_4 = zetb*( c1*e_2_0_3 &
5997  +c3*e_3_0_3&
5998 
5999  )
6000  e_4_0_4 = zetb*( c1*e_3_0_3 &
6001 
6002 
6003  )
6004 
6005  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
6006  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
6007  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
6008  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
6009  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
6010  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
6011  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
6012  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
6013  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
6014  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
6015  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
6016  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
6017  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
6018  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
6019  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
6020  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
6021  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
6022  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
6023  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
6024  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
6025  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
6026  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
6027  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
6028  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
6029  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
6030  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
6031  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
6032  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
6033  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
6034  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
6035  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
6036  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
6037  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
6038  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
6039  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
6040  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
6041  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
6042  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
6043  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
6044  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
6045  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
6046  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
6047  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
6048  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
6049  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
6050  r1 = r1 + dr
6051  END DO
6052 
6053  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
6054  END SUBROUTINE
6055  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_4_3_exp_0 ( &
6056  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
6057  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
6058  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
6059  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
6060  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
6061  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
6062  r_pow_t, r_tmp, rr1_delta, rr2_delta
6063 
6064  REAL(kind=dp) :: c1, c2, c3
6065  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
6066  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
6067  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
6068  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
6069  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
6070  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
6071  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_0_4, e_1_0_4,&
6072  & e_2_0_4, e_3_0_4, e_4_0_4
6073 
6074 
6075  dr = lgth
6076  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
6077 
6078  s_r(:, :, :) = 0.0_dp
6079 
6080  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
6081 
6082  h_to_c_0_0 = sqrt(alpha/pi)
6083 
6084  h_to_c_0_1 = 0.0_dp
6085  h_to_c_1_1 = +2*alpha*h_to_c_0_0
6086  h_to_c_0_2 = -1*h_to_c_1_1
6087  h_to_c_1_2 = +2*alpha*h_to_c_0_1
6088  h_to_c_2_2 = +2*alpha*h_to_c_1_1
6089  h_to_c_0_3 = -1*h_to_c_1_2
6090  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
6091  h_to_c_2_3 = +2*alpha*h_to_c_1_2
6092  h_to_c_3_3 = +2*alpha*h_to_c_2_2
6093  h_to_c_0_4 = -1*h_to_c_1_3
6094  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
6095  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
6096  h_to_c_3_4 = +2*alpha*h_to_c_2_3
6097  h_to_c_4_4 = +2*alpha*h_to_c_3_3
6098  h_to_c_0_5 = -1*h_to_c_1_4
6099  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
6100  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
6101  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
6102  h_to_c_4_5 = +2*alpha*h_to_c_3_4
6103  h_to_c_5_5 = +2*alpha*h_to_c_4_4
6104  h_to_c_0_6 = -1*h_to_c_1_5
6105  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
6106  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
6107  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
6108  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
6109  h_to_c_5_6 = +2*alpha*h_to_c_4_5
6110  h_to_c_6_6 = +2*alpha*h_to_c_5_5
6111  h_to_c_0_7 = -1*h_to_c_1_6
6112  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
6113  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
6114  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
6115  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
6116  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
6117  h_to_c_6_7 = +2*alpha*h_to_c_5_6
6118  h_to_c_7_7 = +2*alpha*h_to_c_6_6
6119 
6120 
6121  rr1_delta = (ra - rb)/dr
6122 
6123  rr1_l = ceiling(-r_c(1) + rr1_delta)
6124  rr1_r = floor(r_c(1) + rr1_delta)
6125 
6126  r1 = rr1_l*dr
6127 
6128  alpha_e = zeta*zetb/(zeta + zetb)
6129 
6130  DO rr1 = rr1_l, rr1_r
6131  s_r_t_0 = 0.0_dp
6132  s_r_t2_0 = 0.0_dp
6133  s_r_t_1 = 0.0_dp
6134  s_r_t2_1 = 0.0_dp
6135  s_r_t_2 = 0.0_dp
6136  s_r_t2_2 = 0.0_dp
6137  s_r_t_3 = 0.0_dp
6138  s_r_t2_3 = 0.0_dp
6139  s_r_t_4 = 0.0_dp
6140  s_r_t2_4 = 0.0_dp
6141  s_r_t_5 = 0.0_dp
6142  s_r_t2_5 = 0.0_dp
6143  s_r_t_6 = 0.0_dp
6144  s_r_t2_6 = 0.0_dp
6145  s_r_t_7 = 0.0_dp
6146  s_r_t2_7 = 0.0_dp
6147  r_tmp = r_offset + r1*zeta/(zeta + zetb)
6148  rr2_delta = -r_tmp/dr
6149 
6150  rr2_l = ceiling(-r_c(2) + rr2_delta)
6151  rr2_r = floor(r_c(2) + rr2_delta)
6152 
6153  r = r_tmp + (rr2_l)*dr
6154 
6155 
6156  DO rr2 = rr2_l, rr2_r
6157  r_pow_t = 1.0_dp
6158  exp2_rsq = exp(-alpha*r*r)
6159  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
6160  r_pow_t = r_pow_t*r
6161  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
6162  r_pow_t = r_pow_t*r
6163  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
6164  r_pow_t = r_pow_t*r
6165  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
6166  r_pow_t = r_pow_t*r
6167  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
6168  r_pow_t = r_pow_t*r
6169  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
6170  r_pow_t = r_pow_t*r
6171  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
6172  r_pow_t = r_pow_t*r
6173  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
6174 
6175  r = r + dr
6176  END DO
6177 
6178  ! C --> H
6179  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
6180  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
6181  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
6182  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
6183  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
6184  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
6185  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
6186  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
6187  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
6188  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
6189  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
6190  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
6191  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
6192  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
6193  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
6194  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
6195  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
6196  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
6197  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
6198  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
6199  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
6200  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
6201  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
6202  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
6203  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
6204  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
6205  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
6206  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
6207  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
6208  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
6209  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
6210  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
6211  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
6212  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
6213  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
6214  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
6215 
6216  ! H --> HH
6217  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
6218 
6219  c1 = 1.0_dp/(zeta + zetb)
6220  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
6221  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
6222 
6223  e_0_0_1 = zetb*( &
6224  +c3*e_0_0_0&
6225 
6226  )
6227  e_1_0_1 = zetb*( c1*e_0_0_0 &
6228 
6229 
6230  )
6231  e_0_0_2 = zetb*( &
6232  +c3*e_0_0_1&
6233  +2*e_1_0_1 &
6234  -2*e_0_0_0)
6235  e_1_0_2 = zetb*( c1*e_0_0_1 &
6236  +c3*e_1_0_1&
6237 
6238  )
6239  e_2_0_2 = zetb*( c1*e_1_0_1 &
6240 
6241 
6242  )
6243  e_0_0_3 = zetb*( &
6244  +c3*e_0_0_2&
6245  +2*e_1_0_2 &
6246  -4*e_0_0_1)
6247  e_1_0_3 = zetb*( c1*e_0_0_2 &
6248  +c3*e_1_0_2&
6249  +4*e_2_0_2 &
6250  -4*e_1_0_1)
6251  e_2_0_3 = zetb*( c1*e_1_0_2 &
6252  +c3*e_2_0_2&
6253 
6254  )
6255  e_3_0_3 = zetb*( c1*e_2_0_2 &
6256 
6257 
6258  )
6259  e_0_0_4 = zetb*( &
6260  +c3*e_0_0_3&
6261  +2*e_1_0_3 &
6262  -6*e_0_0_2)
6263  e_1_0_4 = zetb*( c1*e_0_0_3 &
6264  +c3*e_1_0_3&
6265  +4*e_2_0_3 &
6266  -6*e_1_0_2)
6267  e_2_0_4 = zetb*( c1*e_1_0_3 &
6268  +c3*e_2_0_3&
6269  +6*e_3_0_3 &
6270  -6*e_2_0_2)
6271  e_3_0_4 = zetb*( c1*e_2_0_3 &
6272  +c3*e_3_0_3&
6273 
6274  )
6275  e_4_0_4 = zetb*( c1*e_3_0_3 &
6276 
6277 
6278  )
6279 
6280  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
6281  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
6282  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
6283  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
6284  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
6285  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
6286  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
6287  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
6288  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
6289  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
6290  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
6291  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
6292  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
6293  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
6294  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
6295  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
6296  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
6297  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
6298  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
6299  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
6300  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
6301  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
6302  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
6303  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
6304  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
6305  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
6306  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
6307  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
6308  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
6309  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
6310  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
6311  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
6312  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
6313  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
6314  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
6315  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
6316  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
6317  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
6318  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
6319  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
6320  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
6321  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
6322  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
6323  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
6324  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
6325  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
6326  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
6327  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
6328  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
6329  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
6330  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
6331  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
6332  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
6333  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
6334  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
6335  s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
6336  s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
6337  s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
6338  s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
6339  s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
6340  r1 = r1 + dr
6341  END DO
6342 
6343  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
6344  END SUBROUTINE
6345  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_4_4_exp_0 ( &
6346  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
6347  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
6348  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
6349  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
6350  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
6351  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
6352  r_pow_t, r_tmp, rr1_delta, rr2_delta
6353 
6354  REAL(kind=dp) :: c1, c2, c3
6355  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
6356  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
6357  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
6358  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
6359  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
6360  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
6361  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
6362  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_0_4, e_1_0_4,&
6363  & e_2_0_4, e_3_0_4, e_4_0_4
6364 
6365 
6366  dr = lgth
6367  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
6368 
6369  s_r(:, :, :) = 0.0_dp
6370 
6371  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
6372 
6373  h_to_c_0_0 = sqrt(alpha/pi)
6374 
6375  h_to_c_0_1 = 0.0_dp
6376  h_to_c_1_1 = +2*alpha*h_to_c_0_0
6377  h_to_c_0_2 = -1*h_to_c_1_1
6378  h_to_c_1_2 = +2*alpha*h_to_c_0_1
6379  h_to_c_2_2 = +2*alpha*h_to_c_1_1
6380  h_to_c_0_3 = -1*h_to_c_1_2
6381  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
6382  h_to_c_2_3 = +2*alpha*h_to_c_1_2
6383  h_to_c_3_3 = +2*alpha*h_to_c_2_2
6384  h_to_c_0_4 = -1*h_to_c_1_3
6385  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
6386  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
6387  h_to_c_3_4 = +2*alpha*h_to_c_2_3
6388  h_to_c_4_4 = +2*alpha*h_to_c_3_3
6389  h_to_c_0_5 = -1*h_to_c_1_4
6390  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
6391  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
6392  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
6393  h_to_c_4_5 = +2*alpha*h_to_c_3_4
6394  h_to_c_5_5 = +2*alpha*h_to_c_4_4
6395  h_to_c_0_6 = -1*h_to_c_1_5
6396  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
6397  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
6398  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
6399  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
6400  h_to_c_5_6 = +2*alpha*h_to_c_4_5
6401  h_to_c_6_6 = +2*alpha*h_to_c_5_5
6402  h_to_c_0_7 = -1*h_to_c_1_6
6403  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
6404  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
6405  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
6406  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
6407  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
6408  h_to_c_6_7 = +2*alpha*h_to_c_5_6
6409  h_to_c_7_7 = +2*alpha*h_to_c_6_6
6410  h_to_c_0_8 = -1*h_to_c_1_7
6411  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
6412  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
6413  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
6414  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
6415  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
6416  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
6417  h_to_c_7_8 = +2*alpha*h_to_c_6_7
6418  h_to_c_8_8 = +2*alpha*h_to_c_7_7
6419 
6420 
6421  rr1_delta = (ra - rb)/dr
6422 
6423  rr1_l = ceiling(-r_c(1) + rr1_delta)
6424  rr1_r = floor(r_c(1) + rr1_delta)
6425 
6426  r1 = rr1_l*dr
6427 
6428  alpha_e = zeta*zetb/(zeta + zetb)
6429 
6430  DO rr1 = rr1_l, rr1_r
6431  s_r_t_0 = 0.0_dp
6432  s_r_t2_0 = 0.0_dp
6433  s_r_t_1 = 0.0_dp
6434  s_r_t2_1 = 0.0_dp
6435  s_r_t_2 = 0.0_dp
6436  s_r_t2_2 = 0.0_dp
6437  s_r_t_3 = 0.0_dp
6438  s_r_t2_3 = 0.0_dp
6439  s_r_t_4 = 0.0_dp
6440  s_r_t2_4 = 0.0_dp
6441  s_r_t_5 = 0.0_dp
6442  s_r_t2_5 = 0.0_dp
6443  s_r_t_6 = 0.0_dp
6444  s_r_t2_6 = 0.0_dp
6445  s_r_t_7 = 0.0_dp
6446  s_r_t2_7 = 0.0_dp
6447  s_r_t_8 = 0.0_dp
6448  s_r_t2_8 = 0.0_dp
6449  r_tmp = r_offset + r1*zeta/(zeta + zetb)
6450  rr2_delta = -r_tmp/dr
6451 
6452  rr2_l = ceiling(-r_c(2) + rr2_delta)
6453  rr2_r = floor(r_c(2) + rr2_delta)
6454 
6455  r = r_tmp + (rr2_l)*dr
6456 
6457 
6458  DO rr2 = rr2_l, rr2_r
6459  r_pow_t = 1.0_dp
6460  exp2_rsq = exp(-alpha*r*r)
6461  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
6462  r_pow_t = r_pow_t*r
6463  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
6464  r_pow_t = r_pow_t*r
6465  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
6466  r_pow_t = r_pow_t*r
6467  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
6468  r_pow_t = r_pow_t*r
6469  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
6470  r_pow_t = r_pow_t*r
6471  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
6472  r_pow_t = r_pow_t*r
6473  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
6474  r_pow_t = r_pow_t*r
6475  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
6476  r_pow_t = r_pow_t*r
6477  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
6478 
6479  r = r + dr
6480  END DO
6481 
6482  ! C --> H
6483  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
6484  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
6485  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
6486  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
6487  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
6488  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
6489  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
6490  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
6491  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
6492  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
6493  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
6494  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
6495  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
6496  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
6497  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
6498  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
6499  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
6500  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
6501  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
6502  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
6503  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
6504  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
6505  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
6506  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
6507  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
6508  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
6509  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
6510  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
6511  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
6512  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
6513  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
6514  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
6515  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
6516  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
6517  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
6518  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
6519  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
6520  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
6521  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
6522  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
6523  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
6524  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
6525  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
6526  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
6527  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
6528 
6529  ! H --> HH
6530  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
6531 
6532  c1 = 1.0_dp/(zeta + zetb)
6533  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
6534  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
6535 
6536  e_0_0_1 = zetb*( &
6537  +c3*e_0_0_0&
6538 
6539  )
6540  e_1_0_1 = zetb*( c1*e_0_0_0 &
6541 
6542 
6543  )
6544  e_0_0_2 = zetb*( &
6545  +c3*e_0_0_1&
6546  +2*e_1_0_1 &
6547  -2*e_0_0_0)
6548  e_1_0_2 = zetb*( c1*e_0_0_1 &
6549  +c3*e_1_0_1&
6550 
6551  )
6552  e_2_0_2 = zetb*( c1*e_1_0_1 &
6553 
6554 
6555  )
6556  e_0_0_3 = zetb*( &
6557  +c3*e_0_0_2&
6558  +2*e_1_0_2 &
6559  -4*e_0_0_1)
6560  e_1_0_3 = zetb*( c1*e_0_0_2 &
6561  +c3*e_1_0_2&
6562  +4*e_2_0_2 &
6563  -4*e_1_0_1)
6564  e_2_0_3 = zetb*( c1*e_1_0_2 &
6565  +c3*e_2_0_2&
6566 
6567  )
6568  e_3_0_3 = zetb*( c1*e_2_0_2 &
6569 
6570 
6571  )
6572  e_0_0_4 = zetb*( &
6573  +c3*e_0_0_3&
6574  +2*e_1_0_3 &
6575  -6*e_0_0_2)
6576  e_1_0_4 = zetb*( c1*e_0_0_3 &
6577  +c3*e_1_0_3&
6578  +4*e_2_0_3 &
6579  -6*e_1_0_2)
6580  e_2_0_4 = zetb*( c1*e_1_0_3 &
6581  +c3*e_2_0_3&
6582  +6*e_3_0_3 &
6583  -6*e_2_0_2)
6584  e_3_0_4 = zetb*( c1*e_2_0_3 &
6585  +c3*e_3_0_3&
6586 
6587  )
6588  e_4_0_4 = zetb*( c1*e_3_0_3 &
6589 
6590 
6591  )
6592 
6593  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
6594  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
6595  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
6596  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
6597  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
6598  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
6599  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
6600  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
6601  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
6602  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
6603  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
6604  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
6605  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
6606  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
6607  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
6608  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
6609  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
6610  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
6611  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
6612  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
6613  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
6614  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
6615  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
6616  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
6617  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
6618  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
6619  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
6620  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
6621  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
6622  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
6623  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
6624  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
6625  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
6626  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
6627  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
6628  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
6629  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
6630  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
6631  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
6632  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
6633  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
6634  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
6635  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
6636  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
6637  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
6638  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
6639  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
6640  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
6641  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
6642  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
6643  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
6644  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
6645  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
6646  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
6647  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
6648  s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
6649  s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
6650  s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
6651  s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
6652  s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
6653  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
6654  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
6655  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
6656  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
6657  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
6658  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
6659  s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
6660  s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
6661  s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
6662  s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
6663  s_r(0, 4, 4) = s_r(0, 4, 4) + e_0_0_4*(1)*s_r_t2_4 ! cost: 5 flops
6664  s_r(0, 4, 4) = s_r(0, 4, 4) + e_1_0_4*(1)*s_r_t2_5 ! cost: 5 flops
6665  s_r(0, 4, 4) = s_r(0, 4, 4) + e_2_0_4*(1)*s_r_t2_6 ! cost: 5 flops
6666  s_r(0, 4, 4) = s_r(0, 4, 4) + e_3_0_4*(1)*s_r_t2_7 ! cost: 5 flops
6667  s_r(0, 4, 4) = s_r(0, 4, 4) + e_4_0_4*(1)*s_r_t2_8 ! cost: 5 flops
6668  r1 = r1 + dr
6669  END DO
6670 
6671  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
6672  END SUBROUTINE
6673  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_0_0_exp_0 ( &
6674  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
6675  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
6676  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
6677  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
6678  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
6679  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
6680  r_pow_t, r_tmp, rr1_delta, rr2_delta
6681 
6682  REAL(kind=dp) :: c1, c2, c3
6683  REAL(kind=dp) :: s_r_t_0, s_r_t_1
6684  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1
6685  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1
6686  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0
6687 
6688 
6689  dr = lgth
6690  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
6691 
6692  s_r(:, :, :) = 0.0_dp
6693 
6694  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
6695 
6696  h_to_c_0_0 = sqrt(alpha/pi)
6697 
6698  h_to_c_0_1 = 0.0_dp
6699  h_to_c_1_1 = +2*alpha*h_to_c_0_0
6700 
6701 
6702  rr1_delta = (ra - rb)/dr
6703 
6704  rr1_l = ceiling(-r_c(1) + rr1_delta)
6705  rr1_r = floor(r_c(1) + rr1_delta)
6706 
6707  r1 = rr1_l*dr
6708 
6709  alpha_e = zeta*zetb/(zeta + zetb)
6710 
6711  DO rr1 = rr1_l, rr1_r
6712  s_r_t_0 = 0.0_dp
6713  s_r_t2_0 = 0.0_dp
6714  s_r_t_1 = 0.0_dp
6715  s_r_t2_1 = 0.0_dp
6716  r_tmp = r_offset + r1*zeta/(zeta + zetb)
6717  rr2_delta = -r_tmp/dr
6718 
6719  rr2_l = ceiling(-r_c(2) + rr2_delta)
6720  rr2_r = floor(r_c(2) + rr2_delta)
6721 
6722  r = r_tmp + (rr2_l)*dr
6723 
6724 
6725  DO rr2 = rr2_l, rr2_r
6726  r_pow_t = 1.0_dp
6727  exp2_rsq = exp(-alpha*r*r)
6728  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
6729  r_pow_t = r_pow_t*r
6730  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
6731 
6732  r = r + dr
6733  END DO
6734 
6735  ! C --> H
6736  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
6737  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
6738  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
6739 
6740  ! H --> HH
6741  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
6742 
6743  c1 = 1.0_dp/(zeta + zetb)
6744  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
6745  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
6746 
6747  e_0_1_0 = zeta*( &
6748  +c2*e_0_0_0&
6749 
6750  )
6751  e_1_1_0 = zeta*( c1*e_0_0_0 &
6752 
6753 
6754  )
6755 
6756  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
6757  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
6758  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
6759  r1 = r1 + dr
6760  END DO
6761 
6762  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
6763  END SUBROUTINE
6764  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_0_1_exp_0 ( &
6765  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
6766  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
6767  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
6768  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
6769  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
6770  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
6771  r_pow_t, r_tmp, rr1_delta, rr2_delta
6772 
6773  REAL(kind=dp) :: c1, c2, c3
6774  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2
6775  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2
6776  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2
6777  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0
6778 
6779 
6780  dr = lgth
6781  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
6782 
6783  s_r(:, :, :) = 0.0_dp
6784 
6785  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
6786 
6787  h_to_c_0_0 = sqrt(alpha/pi)
6788 
6789  h_to_c_0_1 = 0.0_dp
6790  h_to_c_1_1 = +2*alpha*h_to_c_0_0
6791  h_to_c_0_2 = -1*h_to_c_1_1
6792  h_to_c_1_2 = +2*alpha*h_to_c_0_1
6793  h_to_c_2_2 = +2*alpha*h_to_c_1_1
6794 
6795 
6796  rr1_delta = (ra - rb)/dr
6797 
6798  rr1_l = ceiling(-r_c(1) + rr1_delta)
6799  rr1_r = floor(r_c(1) + rr1_delta)
6800 
6801  r1 = rr1_l*dr
6802 
6803  alpha_e = zeta*zetb/(zeta + zetb)
6804 
6805  DO rr1 = rr1_l, rr1_r
6806  s_r_t_0 = 0.0_dp
6807  s_r_t2_0 = 0.0_dp
6808  s_r_t_1 = 0.0_dp
6809  s_r_t2_1 = 0.0_dp
6810  s_r_t_2 = 0.0_dp
6811  s_r_t2_2 = 0.0_dp
6812  r_tmp = r_offset + r1*zeta/(zeta + zetb)
6813  rr2_delta = -r_tmp/dr
6814 
6815  rr2_l = ceiling(-r_c(2) + rr2_delta)
6816  rr2_r = floor(r_c(2) + rr2_delta)
6817 
6818  r = r_tmp + (rr2_l)*dr
6819 
6820 
6821  DO rr2 = rr2_l, rr2_r
6822  r_pow_t = 1.0_dp
6823  exp2_rsq = exp(-alpha*r*r)
6824  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
6825  r_pow_t = r_pow_t*r
6826  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
6827  r_pow_t = r_pow_t*r
6828  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
6829 
6830  r = r + dr
6831  END DO
6832 
6833  ! C --> H
6834  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
6835  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
6836  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
6837  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
6838  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
6839  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
6840 
6841  ! H --> HH
6842  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
6843 
6844  c1 = 1.0_dp/(zeta + zetb)
6845  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
6846  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
6847 
6848  e_0_1_0 = zeta*( &
6849  +c2*e_0_0_0&
6850 
6851  )
6852  e_1_1_0 = zeta*( c1*e_0_0_0 &
6853 
6854 
6855  )
6856 
6857  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
6858  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
6859  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
6860  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
6861  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
6862  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
6863  r1 = r1 + dr
6864  END DO
6865 
6866  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
6867  END SUBROUTINE
6868  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_0_2_exp_0 ( &
6869  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
6870  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
6871  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
6872  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
6873  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
6874  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
6875  r_pow_t, r_tmp, rr1_delta, rr2_delta
6876 
6877  REAL(kind=dp) :: c1, c2, c3
6878  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
6879  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
6880  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
6881  & h_to_c_3_3
6882  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0
6883 
6884 
6885  dr = lgth
6886  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
6887 
6888  s_r(:, :, :) = 0.0_dp
6889 
6890  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
6891 
6892  h_to_c_0_0 = sqrt(alpha/pi)
6893 
6894  h_to_c_0_1 = 0.0_dp
6895  h_to_c_1_1 = +2*alpha*h_to_c_0_0
6896  h_to_c_0_2 = -1*h_to_c_1_1
6897  h_to_c_1_2 = +2*alpha*h_to_c_0_1
6898  h_to_c_2_2 = +2*alpha*h_to_c_1_1
6899  h_to_c_0_3 = -1*h_to_c_1_2
6900  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
6901  h_to_c_2_3 = +2*alpha*h_to_c_1_2
6902  h_to_c_3_3 = +2*alpha*h_to_c_2_2
6903 
6904 
6905  rr1_delta = (ra - rb)/dr
6906 
6907  rr1_l = ceiling(-r_c(1) + rr1_delta)
6908  rr1_r = floor(r_c(1) + rr1_delta)
6909 
6910  r1 = rr1_l*dr
6911 
6912  alpha_e = zeta*zetb/(zeta + zetb)
6913 
6914  DO rr1 = rr1_l, rr1_r
6915  s_r_t_0 = 0.0_dp
6916  s_r_t2_0 = 0.0_dp
6917  s_r_t_1 = 0.0_dp
6918  s_r_t2_1 = 0.0_dp
6919  s_r_t_2 = 0.0_dp
6920  s_r_t2_2 = 0.0_dp
6921  s_r_t_3 = 0.0_dp
6922  s_r_t2_3 = 0.0_dp
6923  r_tmp = r_offset + r1*zeta/(zeta + zetb)
6924  rr2_delta = -r_tmp/dr
6925 
6926  rr2_l = ceiling(-r_c(2) + rr2_delta)
6927  rr2_r = floor(r_c(2) + rr2_delta)
6928 
6929  r = r_tmp + (rr2_l)*dr
6930 
6931 
6932  DO rr2 = rr2_l, rr2_r
6933  r_pow_t = 1.0_dp
6934  exp2_rsq = exp(-alpha*r*r)
6935  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
6936  r_pow_t = r_pow_t*r
6937  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
6938  r_pow_t = r_pow_t*r
6939  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
6940  r_pow_t = r_pow_t*r
6941  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
6942 
6943  r = r + dr
6944  END DO
6945 
6946  ! C --> H
6947  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
6948  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
6949  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
6950  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
6951  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
6952  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
6953  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
6954  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
6955  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
6956  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
6957 
6958  ! H --> HH
6959  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
6960 
6961  c1 = 1.0_dp/(zeta + zetb)
6962  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
6963  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
6964 
6965  e_0_1_0 = zeta*( &
6966  +c2*e_0_0_0&
6967 
6968  )
6969  e_1_1_0 = zeta*( c1*e_0_0_0 &
6970 
6971 
6972  )
6973 
6974  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
6975  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
6976  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
6977  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
6978  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
6979  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
6980  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
6981  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
6982  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
6983  r1 = r1 + dr
6984  END DO
6985 
6986  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
6987  END SUBROUTINE
6988  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_0_3_exp_0 ( &
6989  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
6990  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
6991  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
6992  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
6993  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
6994  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
6995  r_pow_t, r_tmp, rr1_delta, rr2_delta
6996 
6997  REAL(kind=dp) :: c1, c2, c3
6998  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
6999  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
7000  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
7001  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
7002  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0
7003 
7004 
7005  dr = lgth
7006  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
7007 
7008  s_r(:, :, :) = 0.0_dp
7009 
7010  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
7011 
7012  h_to_c_0_0 = sqrt(alpha/pi)
7013 
7014  h_to_c_0_1 = 0.0_dp
7015  h_to_c_1_1 = +2*alpha*h_to_c_0_0
7016  h_to_c_0_2 = -1*h_to_c_1_1
7017  h_to_c_1_2 = +2*alpha*h_to_c_0_1
7018  h_to_c_2_2 = +2*alpha*h_to_c_1_1
7019  h_to_c_0_3 = -1*h_to_c_1_2
7020  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
7021  h_to_c_2_3 = +2*alpha*h_to_c_1_2
7022  h_to_c_3_3 = +2*alpha*h_to_c_2_2
7023  h_to_c_0_4 = -1*h_to_c_1_3
7024  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
7025  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
7026  h_to_c_3_4 = +2*alpha*h_to_c_2_3
7027  h_to_c_4_4 = +2*alpha*h_to_c_3_3
7028 
7029 
7030  rr1_delta = (ra - rb)/dr
7031 
7032  rr1_l = ceiling(-r_c(1) + rr1_delta)
7033  rr1_r = floor(r_c(1) + rr1_delta)
7034 
7035  r1 = rr1_l*dr
7036 
7037  alpha_e = zeta*zetb/(zeta + zetb)
7038 
7039  DO rr1 = rr1_l, rr1_r
7040  s_r_t_0 = 0.0_dp
7041  s_r_t2_0 = 0.0_dp
7042  s_r_t_1 = 0.0_dp
7043  s_r_t2_1 = 0.0_dp
7044  s_r_t_2 = 0.0_dp
7045  s_r_t2_2 = 0.0_dp
7046  s_r_t_3 = 0.0_dp
7047  s_r_t2_3 = 0.0_dp
7048  s_r_t_4 = 0.0_dp
7049  s_r_t2_4 = 0.0_dp
7050  r_tmp = r_offset + r1*zeta/(zeta + zetb)
7051  rr2_delta = -r_tmp/dr
7052 
7053  rr2_l = ceiling(-r_c(2) + rr2_delta)
7054  rr2_r = floor(r_c(2) + rr2_delta)
7055 
7056  r = r_tmp + (rr2_l)*dr
7057 
7058 
7059  DO rr2 = rr2_l, rr2_r
7060  r_pow_t = 1.0_dp
7061  exp2_rsq = exp(-alpha*r*r)
7062  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
7063  r_pow_t = r_pow_t*r
7064  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
7065  r_pow_t = r_pow_t*r
7066  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
7067  r_pow_t = r_pow_t*r
7068  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
7069  r_pow_t = r_pow_t*r
7070  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
7071 
7072  r = r + dr
7073  END DO
7074 
7075  ! C --> H
7076  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
7077  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
7078  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
7079  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
7080  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
7081  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
7082  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
7083  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
7084  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
7085  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
7086  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
7087  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
7088  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
7089  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
7090  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
7091 
7092  ! H --> HH
7093  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
7094 
7095  c1 = 1.0_dp/(zeta + zetb)
7096  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
7097  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
7098 
7099  e_0_1_0 = zeta*( &
7100  +c2*e_0_0_0&
7101 
7102  )
7103  e_1_1_0 = zeta*( c1*e_0_0_0 &
7104 
7105 
7106  )
7107 
7108  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
7109  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
7110  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
7111  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
7112  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
7113  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
7114  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
7115  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
7116  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
7117  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
7118  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
7119  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
7120  r1 = r1 + dr
7121  END DO
7122 
7123  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
7124  END SUBROUTINE
7125  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_0_4_exp_0 ( &
7126  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
7127  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
7128  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
7129  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
7130  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
7131  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
7132  r_pow_t, r_tmp, rr1_delta, rr2_delta
7133 
7134  REAL(kind=dp) :: c1, c2, c3
7135  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
7136  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
7137  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
7138  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
7139  & h_to_c_4_5, h_to_c_5_5
7140  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0
7141 
7142 
7143  dr = lgth
7144  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
7145 
7146  s_r(:, :, :) = 0.0_dp
7147 
7148  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
7149 
7150  h_to_c_0_0 = sqrt(alpha/pi)
7151 
7152  h_to_c_0_1 = 0.0_dp
7153  h_to_c_1_1 = +2*alpha*h_to_c_0_0
7154  h_to_c_0_2 = -1*h_to_c_1_1
7155  h_to_c_1_2 = +2*alpha*h_to_c_0_1
7156  h_to_c_2_2 = +2*alpha*h_to_c_1_1
7157  h_to_c_0_3 = -1*h_to_c_1_2
7158  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
7159  h_to_c_2_3 = +2*alpha*h_to_c_1_2
7160  h_to_c_3_3 = +2*alpha*h_to_c_2_2
7161  h_to_c_0_4 = -1*h_to_c_1_3
7162  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
7163  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
7164  h_to_c_3_4 = +2*alpha*h_to_c_2_3
7165  h_to_c_4_4 = +2*alpha*h_to_c_3_3
7166  h_to_c_0_5 = -1*h_to_c_1_4
7167  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
7168  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
7169  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
7170  h_to_c_4_5 = +2*alpha*h_to_c_3_4
7171  h_to_c_5_5 = +2*alpha*h_to_c_4_4
7172 
7173 
7174  rr1_delta = (ra - rb)/dr
7175 
7176  rr1_l = ceiling(-r_c(1) + rr1_delta)
7177  rr1_r = floor(r_c(1) + rr1_delta)
7178 
7179  r1 = rr1_l*dr
7180 
7181  alpha_e = zeta*zetb/(zeta + zetb)
7182 
7183  DO rr1 = rr1_l, rr1_r
7184  s_r_t_0 = 0.0_dp
7185  s_r_t2_0 = 0.0_dp
7186  s_r_t_1 = 0.0_dp
7187  s_r_t2_1 = 0.0_dp
7188  s_r_t_2 = 0.0_dp
7189  s_r_t2_2 = 0.0_dp
7190  s_r_t_3 = 0.0_dp
7191  s_r_t2_3 = 0.0_dp
7192  s_r_t_4 = 0.0_dp
7193  s_r_t2_4 = 0.0_dp
7194  s_r_t_5 = 0.0_dp
7195  s_r_t2_5 = 0.0_dp
7196  r_tmp = r_offset + r1*zeta/(zeta + zetb)
7197  rr2_delta = -r_tmp/dr
7198 
7199  rr2_l = ceiling(-r_c(2) + rr2_delta)
7200  rr2_r = floor(r_c(2) + rr2_delta)
7201 
7202  r = r_tmp + (rr2_l)*dr
7203 
7204 
7205  DO rr2 = rr2_l, rr2_r
7206  r_pow_t = 1.0_dp
7207  exp2_rsq = exp(-alpha*r*r)
7208  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
7209  r_pow_t = r_pow_t*r
7210  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
7211  r_pow_t = r_pow_t*r
7212  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
7213  r_pow_t = r_pow_t*r
7214  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
7215  r_pow_t = r_pow_t*r
7216  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
7217  r_pow_t = r_pow_t*r
7218  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
7219 
7220  r = r + dr
7221  END DO
7222 
7223  ! C --> H
7224  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
7225  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
7226  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
7227  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
7228  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
7229  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
7230  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
7231  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
7232  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
7233  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
7234  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
7235  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
7236  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
7237  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
7238  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
7239  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
7240  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
7241  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
7242  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
7243  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
7244  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
7245 
7246  ! H --> HH
7247  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
7248 
7249  c1 = 1.0_dp/(zeta + zetb)
7250  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
7251  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
7252 
7253  e_0_1_0 = zeta*( &
7254  +c2*e_0_0_0&
7255 
7256  )
7257  e_1_1_0 = zeta*( c1*e_0_0_0 &
7258 
7259 
7260  )
7261 
7262  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
7263  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
7264  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
7265  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
7266  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
7267  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
7268  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
7269  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
7270  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
7271  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
7272  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
7273  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
7274  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
7275  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
7276  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
7277  r1 = r1 + dr
7278  END DO
7279 
7280  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
7281  END SUBROUTINE
7282  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_1_0_exp_0 ( &
7283  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
7284  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
7285  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
7286  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
7287  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
7288  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
7289  r_pow_t, r_tmp, rr1_delta, rr2_delta
7290 
7291  REAL(kind=dp) :: c1, c2, c3
7292  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2
7293  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2
7294  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2
7295  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1
7296 
7297 
7298  dr = lgth
7299  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
7300 
7301  s_r(:, :, :) = 0.0_dp
7302 
7303  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
7304 
7305  h_to_c_0_0 = sqrt(alpha/pi)
7306 
7307  h_to_c_0_1 = 0.0_dp
7308  h_to_c_1_1 = +2*alpha*h_to_c_0_0
7309  h_to_c_0_2 = -1*h_to_c_1_1
7310  h_to_c_1_2 = +2*alpha*h_to_c_0_1
7311  h_to_c_2_2 = +2*alpha*h_to_c_1_1
7312 
7313 
7314  rr1_delta = (ra - rb)/dr
7315 
7316  rr1_l = ceiling(-r_c(1) + rr1_delta)
7317  rr1_r = floor(r_c(1) + rr1_delta)
7318 
7319  r1 = rr1_l*dr
7320 
7321  alpha_e = zeta*zetb/(zeta + zetb)
7322 
7323  DO rr1 = rr1_l, rr1_r
7324  s_r_t_0 = 0.0_dp
7325  s_r_t2_0 = 0.0_dp
7326  s_r_t_1 = 0.0_dp
7327  s_r_t2_1 = 0.0_dp
7328  s_r_t_2 = 0.0_dp
7329  s_r_t2_2 = 0.0_dp
7330  r_tmp = r_offset + r1*zeta/(zeta + zetb)
7331  rr2_delta = -r_tmp/dr
7332 
7333  rr2_l = ceiling(-r_c(2) + rr2_delta)
7334  rr2_r = floor(r_c(2) + rr2_delta)
7335 
7336  r = r_tmp + (rr2_l)*dr
7337 
7338 
7339  DO rr2 = rr2_l, rr2_r
7340  r_pow_t = 1.0_dp
7341  exp2_rsq = exp(-alpha*r*r)
7342  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
7343  r_pow_t = r_pow_t*r
7344  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
7345  r_pow_t = r_pow_t*r
7346  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
7347 
7348  r = r + dr
7349  END DO
7350 
7351  ! C --> H
7352  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
7353  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
7354  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
7355  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
7356  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
7357  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
7358 
7359  ! H --> HH
7360  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
7361 
7362  c1 = 1.0_dp/(zeta + zetb)
7363  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
7364  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
7365 
7366  e_0_1_0 = zeta*( &
7367  +c2*e_0_0_0&
7368 
7369  )
7370  e_0_0_1 = zetb*( &
7371  +c3*e_0_0_0&
7372 
7373  )
7374  e_1_1_0 = zeta*( c1*e_0_0_0 &
7375 
7376 
7377  )
7378  e_1_0_1 = zetb*( c1*e_0_0_0 &
7379 
7380 
7381  )
7382  e_0_1_1 = zetb*( &
7383  +c3*e_0_1_0&
7384  +2*e_1_1_0 &
7385  )
7386  e_1_1_1 = zetb*( c1*e_0_1_0 &
7387  +c3*e_1_1_0&
7388 
7389  )
7390  e_2_1_1 = zetb*( c1*e_1_1_0 &
7391 
7392 
7393  )
7394  e_0_1_1 = zeta*( &
7395  +c2*e_0_0_1&
7396  +2*e_1_0_1 &
7397  )
7398  e_1_1_1 = zeta*( c1*e_0_0_1 &
7399  +c2*e_1_0_1&
7400 
7401  )
7402  e_2_1_1 = zeta*( c1*e_1_0_1 &
7403 
7404 
7405  )
7406 
7407  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
7408  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
7409  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
7410  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
7411  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
7412  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
7413  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
7414  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
7415  r1 = r1 + dr
7416  END DO
7417 
7418  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
7419  END SUBROUTINE
7420  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_1_1_exp_0 ( &
7421  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
7422  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
7423  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
7424  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
7425  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
7426  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
7427  r_pow_t, r_tmp, rr1_delta, rr2_delta
7428 
7429  REAL(kind=dp) :: c1, c2, c3
7430  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
7431  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
7432  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
7433  & h_to_c_3_3
7434  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1
7435 
7436 
7437  dr = lgth
7438  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
7439 
7440  s_r(:, :, :) = 0.0_dp
7441 
7442  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
7443 
7444  h_to_c_0_0 = sqrt(alpha/pi)
7445 
7446  h_to_c_0_1 = 0.0_dp
7447  h_to_c_1_1 = +2*alpha*h_to_c_0_0
7448  h_to_c_0_2 = -1*h_to_c_1_1
7449  h_to_c_1_2 = +2*alpha*h_to_c_0_1
7450  h_to_c_2_2 = +2*alpha*h_to_c_1_1
7451  h_to_c_0_3 = -1*h_to_c_1_2
7452  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
7453  h_to_c_2_3 = +2*alpha*h_to_c_1_2
7454  h_to_c_3_3 = +2*alpha*h_to_c_2_2
7455 
7456 
7457  rr1_delta = (ra - rb)/dr
7458 
7459  rr1_l = ceiling(-r_c(1) + rr1_delta)
7460  rr1_r = floor(r_c(1) + rr1_delta)
7461 
7462  r1 = rr1_l*dr
7463 
7464  alpha_e = zeta*zetb/(zeta + zetb)
7465 
7466  DO rr1 = rr1_l, rr1_r
7467  s_r_t_0 = 0.0_dp
7468  s_r_t2_0 = 0.0_dp
7469  s_r_t_1 = 0.0_dp
7470  s_r_t2_1 = 0.0_dp
7471  s_r_t_2 = 0.0_dp
7472  s_r_t2_2 = 0.0_dp
7473  s_r_t_3 = 0.0_dp
7474  s_r_t2_3 = 0.0_dp
7475  r_tmp = r_offset + r1*zeta/(zeta + zetb)
7476  rr2_delta = -r_tmp/dr
7477 
7478  rr2_l = ceiling(-r_c(2) + rr2_delta)
7479  rr2_r = floor(r_c(2) + rr2_delta)
7480 
7481  r = r_tmp + (rr2_l)*dr
7482 
7483 
7484  DO rr2 = rr2_l, rr2_r
7485  r_pow_t = 1.0_dp
7486  exp2_rsq = exp(-alpha*r*r)
7487  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
7488  r_pow_t = r_pow_t*r
7489  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
7490  r_pow_t = r_pow_t*r
7491  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
7492  r_pow_t = r_pow_t*r
7493  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
7494 
7495  r = r + dr
7496  END DO
7497 
7498  ! C --> H
7499  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
7500  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
7501  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
7502  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
7503  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
7504  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
7505  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
7506  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
7507  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
7508  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
7509 
7510  ! H --> HH
7511  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
7512 
7513  c1 = 1.0_dp/(zeta + zetb)
7514  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
7515  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
7516 
7517  e_0_1_0 = zeta*( &
7518  +c2*e_0_0_0&
7519 
7520  )
7521  e_0_0_1 = zetb*( &
7522  +c3*e_0_0_0&
7523 
7524  )
7525  e_1_1_0 = zeta*( c1*e_0_0_0 &
7526 
7527 
7528  )
7529  e_1_0_1 = zetb*( c1*e_0_0_0 &
7530 
7531 
7532  )
7533  e_0_1_1 = zetb*( &
7534  +c3*e_0_1_0&
7535  +2*e_1_1_0 &
7536  )
7537  e_1_1_1 = zetb*( c1*e_0_1_0 &
7538  +c3*e_1_1_0&
7539 
7540  )
7541  e_2_1_1 = zetb*( c1*e_1_1_0 &
7542 
7543 
7544  )
7545  e_0_1_1 = zeta*( &
7546  +c2*e_0_0_1&
7547  +2*e_1_0_1 &
7548  )
7549  e_1_1_1 = zeta*( c1*e_0_0_1 &
7550  +c2*e_1_0_1&
7551 
7552  )
7553  e_2_1_1 = zeta*( c1*e_1_0_1 &
7554 
7555 
7556  )
7557 
7558  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
7559  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
7560  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
7561  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
7562  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
7563  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
7564  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
7565  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
7566  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
7567  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
7568  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
7569  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
7570  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
7571  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
7572  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
7573  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
7574  r1 = r1 + dr
7575  END DO
7576 
7577  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
7578  END SUBROUTINE
7579  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_1_2_exp_0 ( &
7580  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
7581  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
7582  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
7583  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
7584  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
7585  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
7586  r_pow_t, r_tmp, rr1_delta, rr2_delta
7587 
7588  REAL(kind=dp) :: c1, c2, c3
7589  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
7590  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
7591  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
7592  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
7593  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1
7594 
7595 
7596  dr = lgth
7597  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
7598 
7599  s_r(:, :, :) = 0.0_dp
7600 
7601  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
7602 
7603  h_to_c_0_0 = sqrt(alpha/pi)
7604 
7605  h_to_c_0_1 = 0.0_dp
7606  h_to_c_1_1 = +2*alpha*h_to_c_0_0
7607  h_to_c_0_2 = -1*h_to_c_1_1
7608  h_to_c_1_2 = +2*alpha*h_to_c_0_1
7609  h_to_c_2_2 = +2*alpha*h_to_c_1_1
7610  h_to_c_0_3 = -1*h_to_c_1_2
7611  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
7612  h_to_c_2_3 = +2*alpha*h_to_c_1_2
7613  h_to_c_3_3 = +2*alpha*h_to_c_2_2
7614  h_to_c_0_4 = -1*h_to_c_1_3
7615  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
7616  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
7617  h_to_c_3_4 = +2*alpha*h_to_c_2_3
7618  h_to_c_4_4 = +2*alpha*h_to_c_3_3
7619 
7620 
7621  rr1_delta = (ra - rb)/dr
7622 
7623  rr1_l = ceiling(-r_c(1) + rr1_delta)
7624  rr1_r = floor(r_c(1) + rr1_delta)
7625 
7626  r1 = rr1_l*dr
7627 
7628  alpha_e = zeta*zetb/(zeta + zetb)
7629 
7630  DO rr1 = rr1_l, rr1_r
7631  s_r_t_0 = 0.0_dp
7632  s_r_t2_0 = 0.0_dp
7633  s_r_t_1 = 0.0_dp
7634  s_r_t2_1 = 0.0_dp
7635  s_r_t_2 = 0.0_dp
7636  s_r_t2_2 = 0.0_dp
7637  s_r_t_3 = 0.0_dp
7638  s_r_t2_3 = 0.0_dp
7639  s_r_t_4 = 0.0_dp
7640  s_r_t2_4 = 0.0_dp
7641  r_tmp = r_offset + r1*zeta/(zeta + zetb)
7642  rr2_delta = -r_tmp/dr
7643 
7644  rr2_l = ceiling(-r_c(2) + rr2_delta)
7645  rr2_r = floor(r_c(2) + rr2_delta)
7646 
7647  r = r_tmp + (rr2_l)*dr
7648 
7649 
7650  DO rr2 = rr2_l, rr2_r
7651  r_pow_t = 1.0_dp
7652  exp2_rsq = exp(-alpha*r*r)
7653  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
7654  r_pow_t = r_pow_t*r
7655  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
7656  r_pow_t = r_pow_t*r
7657  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
7658  r_pow_t = r_pow_t*r
7659  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
7660  r_pow_t = r_pow_t*r
7661  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
7662 
7663  r = r + dr
7664  END DO
7665 
7666  ! C --> H
7667  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
7668  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
7669  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
7670  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
7671  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
7672  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
7673  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
7674  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
7675  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
7676  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
7677  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
7678  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
7679  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
7680  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
7681  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
7682 
7683  ! H --> HH
7684  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
7685 
7686  c1 = 1.0_dp/(zeta + zetb)
7687  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
7688  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
7689 
7690  e_0_1_0 = zeta*( &
7691  +c2*e_0_0_0&
7692 
7693  )
7694  e_0_0_1 = zetb*( &
7695  +c3*e_0_0_0&
7696 
7697  )
7698  e_1_1_0 = zeta*( c1*e_0_0_0 &
7699 
7700 
7701  )
7702  e_1_0_1 = zetb*( c1*e_0_0_0 &
7703 
7704 
7705  )
7706  e_0_1_1 = zetb*( &
7707  +c3*e_0_1_0&
7708  +2*e_1_1_0 &
7709  )
7710  e_1_1_1 = zetb*( c1*e_0_1_0 &
7711  +c3*e_1_1_0&
7712 
7713  )
7714  e_2_1_1 = zetb*( c1*e_1_1_0 &
7715 
7716 
7717  )
7718  e_0_1_1 = zeta*( &
7719  +c2*e_0_0_1&
7720  +2*e_1_0_1 &
7721  )
7722  e_1_1_1 = zeta*( c1*e_0_0_1 &
7723  +c2*e_1_0_1&
7724 
7725  )
7726  e_2_1_1 = zeta*( c1*e_1_0_1 &
7727 
7728 
7729  )
7730 
7731  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
7732  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
7733  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
7734  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
7735  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
7736  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
7737  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
7738  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
7739  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
7740  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
7741  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
7742  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
7743  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
7744  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
7745  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
7746  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
7747  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
7748  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
7749  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
7750  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
7751  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
7752  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
7753  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
7754  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
7755  r1 = r1 + dr
7756  END DO
7757 
7758  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
7759  END SUBROUTINE
7760  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_1_3_exp_0 ( &
7761  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
7762  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
7763  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
7764  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
7765  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
7766  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
7767  r_pow_t, r_tmp, rr1_delta, rr2_delta
7768 
7769  REAL(kind=dp) :: c1, c2, c3
7770  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
7771  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
7772  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
7773  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
7774  & h_to_c_4_5, h_to_c_5_5
7775  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1
7776 
7777 
7778  dr = lgth
7779  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
7780 
7781  s_r(:, :, :) = 0.0_dp
7782 
7783  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
7784 
7785  h_to_c_0_0 = sqrt(alpha/pi)
7786 
7787  h_to_c_0_1 = 0.0_dp
7788  h_to_c_1_1 = +2*alpha*h_to_c_0_0
7789  h_to_c_0_2 = -1*h_to_c_1_1
7790  h_to_c_1_2 = +2*alpha*h_to_c_0_1
7791  h_to_c_2_2 = +2*alpha*h_to_c_1_1
7792  h_to_c_0_3 = -1*h_to_c_1_2
7793  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
7794  h_to_c_2_3 = +2*alpha*h_to_c_1_2
7795  h_to_c_3_3 = +2*alpha*h_to_c_2_2
7796  h_to_c_0_4 = -1*h_to_c_1_3
7797  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
7798  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
7799  h_to_c_3_4 = +2*alpha*h_to_c_2_3
7800  h_to_c_4_4 = +2*alpha*h_to_c_3_3
7801  h_to_c_0_5 = -1*h_to_c_1_4
7802  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
7803  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
7804  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
7805  h_to_c_4_5 = +2*alpha*h_to_c_3_4
7806  h_to_c_5_5 = +2*alpha*h_to_c_4_4
7807 
7808 
7809  rr1_delta = (ra - rb)/dr
7810 
7811  rr1_l = ceiling(-r_c(1) + rr1_delta)
7812  rr1_r = floor(r_c(1) + rr1_delta)
7813 
7814  r1 = rr1_l*dr
7815 
7816  alpha_e = zeta*zetb/(zeta + zetb)
7817 
7818  DO rr1 = rr1_l, rr1_r
7819  s_r_t_0 = 0.0_dp
7820  s_r_t2_0 = 0.0_dp
7821  s_r_t_1 = 0.0_dp
7822  s_r_t2_1 = 0.0_dp
7823  s_r_t_2 = 0.0_dp
7824  s_r_t2_2 = 0.0_dp
7825  s_r_t_3 = 0.0_dp
7826  s_r_t2_3 = 0.0_dp
7827  s_r_t_4 = 0.0_dp
7828  s_r_t2_4 = 0.0_dp
7829  s_r_t_5 = 0.0_dp
7830  s_r_t2_5 = 0.0_dp
7831  r_tmp = r_offset + r1*zeta/(zeta + zetb)
7832  rr2_delta = -r_tmp/dr
7833 
7834  rr2_l = ceiling(-r_c(2) + rr2_delta)
7835  rr2_r = floor(r_c(2) + rr2_delta)
7836 
7837  r = r_tmp + (rr2_l)*dr
7838 
7839 
7840  DO rr2 = rr2_l, rr2_r
7841  r_pow_t = 1.0_dp
7842  exp2_rsq = exp(-alpha*r*r)
7843  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
7844  r_pow_t = r_pow_t*r
7845  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
7846  r_pow_t = r_pow_t*r
7847  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
7848  r_pow_t = r_pow_t*r
7849  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
7850  r_pow_t = r_pow_t*r
7851  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
7852  r_pow_t = r_pow_t*r
7853  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
7854 
7855  r = r + dr
7856  END DO
7857 
7858  ! C --> H
7859  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
7860  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
7861  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
7862  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
7863  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
7864  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
7865  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
7866  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
7867  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
7868  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
7869  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
7870  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
7871  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
7872  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
7873  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
7874  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
7875  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
7876  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
7877  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
7878  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
7879  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
7880 
7881  ! H --> HH
7882  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
7883 
7884  c1 = 1.0_dp/(zeta + zetb)
7885  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
7886  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
7887 
7888  e_0_1_0 = zeta*( &
7889  +c2*e_0_0_0&
7890 
7891  )
7892  e_0_0_1 = zetb*( &
7893  +c3*e_0_0_0&
7894 
7895  )
7896  e_1_1_0 = zeta*( c1*e_0_0_0 &
7897 
7898 
7899  )
7900  e_1_0_1 = zetb*( c1*e_0_0_0 &
7901 
7902 
7903  )
7904  e_0_1_1 = zetb*( &
7905  +c3*e_0_1_0&
7906  +2*e_1_1_0 &
7907  )
7908  e_1_1_1 = zetb*( c1*e_0_1_0 &
7909  +c3*e_1_1_0&
7910 
7911  )
7912  e_2_1_1 = zetb*( c1*e_1_1_0 &
7913 
7914 
7915  )
7916  e_0_1_1 = zeta*( &
7917  +c2*e_0_0_1&
7918  +2*e_1_0_1 &
7919  )
7920  e_1_1_1 = zeta*( c1*e_0_0_1 &
7921  +c2*e_1_0_1&
7922 
7923  )
7924  e_2_1_1 = zeta*( c1*e_1_0_1 &
7925 
7926 
7927  )
7928 
7929  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
7930  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
7931  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
7932  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
7933  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
7934  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
7935  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
7936  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
7937  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
7938  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
7939  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
7940  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
7941  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
7942  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
7943  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
7944  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
7945  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
7946  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
7947  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
7948  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
7949  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
7950  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
7951  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
7952  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
7953  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
7954  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
7955  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
7956  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
7957  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
7958  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
7959  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
7960  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
7961  r1 = r1 + dr
7962  END DO
7963 
7964  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
7965  END SUBROUTINE
7966  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_1_4_exp_0 ( &
7967  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
7968  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
7969  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
7970  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
7971  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
7972  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
7973  r_pow_t, r_tmp, rr1_delta, rr2_delta
7974 
7975  REAL(kind=dp) :: c1, c2, c3
7976  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
7977  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
7978  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
7979  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
7980  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
7981  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1
7982 
7983 
7984  dr = lgth
7985  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
7986 
7987  s_r(:, :, :) = 0.0_dp
7988 
7989  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
7990 
7991  h_to_c_0_0 = sqrt(alpha/pi)
7992 
7993  h_to_c_0_1 = 0.0_dp
7994  h_to_c_1_1 = +2*alpha*h_to_c_0_0
7995  h_to_c_0_2 = -1*h_to_c_1_1
7996  h_to_c_1_2 = +2*alpha*h_to_c_0_1
7997  h_to_c_2_2 = +2*alpha*h_to_c_1_1
7998  h_to_c_0_3 = -1*h_to_c_1_2
7999  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
8000  h_to_c_2_3 = +2*alpha*h_to_c_1_2
8001  h_to_c_3_3 = +2*alpha*h_to_c_2_2
8002  h_to_c_0_4 = -1*h_to_c_1_3
8003  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
8004  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
8005  h_to_c_3_4 = +2*alpha*h_to_c_2_3
8006  h_to_c_4_4 = +2*alpha*h_to_c_3_3
8007  h_to_c_0_5 = -1*h_to_c_1_4
8008  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
8009  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
8010  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
8011  h_to_c_4_5 = +2*alpha*h_to_c_3_4
8012  h_to_c_5_5 = +2*alpha*h_to_c_4_4
8013  h_to_c_0_6 = -1*h_to_c_1_5
8014  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
8015  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
8016  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
8017  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
8018  h_to_c_5_6 = +2*alpha*h_to_c_4_5
8019  h_to_c_6_6 = +2*alpha*h_to_c_5_5
8020 
8021 
8022  rr1_delta = (ra - rb)/dr
8023 
8024  rr1_l = ceiling(-r_c(1) + rr1_delta)
8025  rr1_r = floor(r_c(1) + rr1_delta)
8026 
8027  r1 = rr1_l*dr
8028 
8029  alpha_e = zeta*zetb/(zeta + zetb)
8030 
8031  DO rr1 = rr1_l, rr1_r
8032  s_r_t_0 = 0.0_dp
8033  s_r_t2_0 = 0.0_dp
8034  s_r_t_1 = 0.0_dp
8035  s_r_t2_1 = 0.0_dp
8036  s_r_t_2 = 0.0_dp
8037  s_r_t2_2 = 0.0_dp
8038  s_r_t_3 = 0.0_dp
8039  s_r_t2_3 = 0.0_dp
8040  s_r_t_4 = 0.0_dp
8041  s_r_t2_4 = 0.0_dp
8042  s_r_t_5 = 0.0_dp
8043  s_r_t2_5 = 0.0_dp
8044  s_r_t_6 = 0.0_dp
8045  s_r_t2_6 = 0.0_dp
8046  r_tmp = r_offset + r1*zeta/(zeta + zetb)
8047  rr2_delta = -r_tmp/dr
8048 
8049  rr2_l = ceiling(-r_c(2) + rr2_delta)
8050  rr2_r = floor(r_c(2) + rr2_delta)
8051 
8052  r = r_tmp + (rr2_l)*dr
8053 
8054 
8055  DO rr2 = rr2_l, rr2_r
8056  r_pow_t = 1.0_dp
8057  exp2_rsq = exp(-alpha*r*r)
8058  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
8059  r_pow_t = r_pow_t*r
8060  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
8061  r_pow_t = r_pow_t*r
8062  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
8063  r_pow_t = r_pow_t*r
8064  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
8065  r_pow_t = r_pow_t*r
8066  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
8067  r_pow_t = r_pow_t*r
8068  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
8069  r_pow_t = r_pow_t*r
8070  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
8071 
8072  r = r + dr
8073  END DO
8074 
8075  ! C --> H
8076  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
8077  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
8078  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
8079  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
8080  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
8081  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
8082  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
8083  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
8084  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
8085  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
8086  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
8087  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
8088  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
8089  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
8090  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
8091  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
8092  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
8093  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
8094  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
8095  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
8096  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
8097  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
8098  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
8099  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
8100  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
8101  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
8102  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
8103  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
8104 
8105  ! H --> HH
8106  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
8107 
8108  c1 = 1.0_dp/(zeta + zetb)
8109  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
8110  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
8111 
8112  e_0_1_0 = zeta*( &
8113  +c2*e_0_0_0&
8114 
8115  )
8116  e_0_0_1 = zetb*( &
8117  +c3*e_0_0_0&
8118 
8119  )
8120  e_1_1_0 = zeta*( c1*e_0_0_0 &
8121 
8122 
8123  )
8124  e_1_0_1 = zetb*( c1*e_0_0_0 &
8125 
8126 
8127  )
8128  e_0_1_1 = zetb*( &
8129  +c3*e_0_1_0&
8130  +2*e_1_1_0 &
8131  )
8132  e_1_1_1 = zetb*( c1*e_0_1_0 &
8133  +c3*e_1_1_0&
8134 
8135  )
8136  e_2_1_1 = zetb*( c1*e_1_1_0 &
8137 
8138 
8139  )
8140  e_0_1_1 = zeta*( &
8141  +c2*e_0_0_1&
8142  +2*e_1_0_1 &
8143  )
8144  e_1_1_1 = zeta*( c1*e_0_0_1 &
8145  +c2*e_1_0_1&
8146 
8147  )
8148  e_2_1_1 = zeta*( c1*e_1_0_1 &
8149 
8150 
8151  )
8152 
8153  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
8154  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
8155  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
8156  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
8157  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
8158  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
8159  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
8160  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
8161  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
8162  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
8163  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
8164  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
8165  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
8166  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
8167  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
8168  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
8169  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
8170  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
8171  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
8172  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
8173  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
8174  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
8175  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
8176  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
8177  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
8178  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
8179  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
8180  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
8181  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
8182  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
8183  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
8184  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
8185  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
8186  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
8187  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
8188  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
8189  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
8190  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
8191  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
8192  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
8193  r1 = r1 + dr
8194  END DO
8195 
8196  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
8197  END SUBROUTINE
8198  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_2_0_exp_0 ( &
8199  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
8200  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
8201  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
8202  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
8203  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
8204  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
8205  r_pow_t, r_tmp, rr1_delta, rr2_delta
8206 
8207  REAL(kind=dp) :: c1, c2, c3
8208  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
8209  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
8210  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
8211  & h_to_c_3_3
8212  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
8213  & e_1_1_2, e_2_1_2, e_3_1_2
8214 
8215 
8216  dr = lgth
8217  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
8218 
8219  s_r(:, :, :) = 0.0_dp
8220 
8221  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
8222 
8223  h_to_c_0_0 = sqrt(alpha/pi)
8224 
8225  h_to_c_0_1 = 0.0_dp
8226  h_to_c_1_1 = +2*alpha*h_to_c_0_0
8227  h_to_c_0_2 = -1*h_to_c_1_1
8228  h_to_c_1_2 = +2*alpha*h_to_c_0_1
8229  h_to_c_2_2 = +2*alpha*h_to_c_1_1
8230  h_to_c_0_3 = -1*h_to_c_1_2
8231  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
8232  h_to_c_2_3 = +2*alpha*h_to_c_1_2
8233  h_to_c_3_3 = +2*alpha*h_to_c_2_2
8234 
8235 
8236  rr1_delta = (ra - rb)/dr
8237 
8238  rr1_l = ceiling(-r_c(1) + rr1_delta)
8239  rr1_r = floor(r_c(1) + rr1_delta)
8240 
8241  r1 = rr1_l*dr
8242 
8243  alpha_e = zeta*zetb/(zeta + zetb)
8244 
8245  DO rr1 = rr1_l, rr1_r
8246  s_r_t_0 = 0.0_dp
8247  s_r_t2_0 = 0.0_dp
8248  s_r_t_1 = 0.0_dp
8249  s_r_t2_1 = 0.0_dp
8250  s_r_t_2 = 0.0_dp
8251  s_r_t2_2 = 0.0_dp
8252  s_r_t_3 = 0.0_dp
8253  s_r_t2_3 = 0.0_dp
8254  r_tmp = r_offset + r1*zeta/(zeta + zetb)
8255  rr2_delta = -r_tmp/dr
8256 
8257  rr2_l = ceiling(-r_c(2) + rr2_delta)
8258  rr2_r = floor(r_c(2) + rr2_delta)
8259 
8260  r = r_tmp + (rr2_l)*dr
8261 
8262 
8263  DO rr2 = rr2_l, rr2_r
8264  r_pow_t = 1.0_dp
8265  exp2_rsq = exp(-alpha*r*r)
8266  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
8267  r_pow_t = r_pow_t*r
8268  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
8269  r_pow_t = r_pow_t*r
8270  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
8271  r_pow_t = r_pow_t*r
8272  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
8273 
8274  r = r + dr
8275  END DO
8276 
8277  ! C --> H
8278  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
8279  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
8280  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
8281  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
8282  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
8283  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
8284  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
8285  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
8286  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
8287  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
8288 
8289  ! H --> HH
8290  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
8291 
8292  c1 = 1.0_dp/(zeta + zetb)
8293  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
8294  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
8295 
8296  e_0_1_0 = zeta*( &
8297  +c2*e_0_0_0&
8298 
8299  )
8300  e_0_0_1 = zetb*( &
8301  +c3*e_0_0_0&
8302 
8303  )
8304  e_1_1_0 = zeta*( c1*e_0_0_0 &
8305 
8306 
8307  )
8308  e_1_0_1 = zetb*( c1*e_0_0_0 &
8309 
8310 
8311  )
8312  e_0_1_1 = zetb*( &
8313  +c3*e_0_1_0&
8314  +2*e_1_1_0 &
8315  )
8316  e_1_1_1 = zetb*( c1*e_0_1_0 &
8317  +c3*e_1_1_0&
8318 
8319  )
8320  e_2_1_1 = zetb*( c1*e_1_1_0 &
8321 
8322 
8323  )
8324  e_0_1_1 = zeta*( &
8325  +c2*e_0_0_1&
8326  +2*e_1_0_1 &
8327  )
8328  e_0_0_2 = zetb*( &
8329  +c3*e_0_0_1&
8330  +2*e_1_0_1 &
8331  -2*e_0_0_0)
8332  e_1_1_1 = zeta*( c1*e_0_0_1 &
8333  +c2*e_1_0_1&
8334 
8335  )
8336  e_1_0_2 = zetb*( c1*e_0_0_1 &
8337  +c3*e_1_0_1&
8338 
8339  )
8340  e_2_1_1 = zeta*( c1*e_1_0_1 &
8341 
8342 
8343  )
8344  e_2_0_2 = zetb*( c1*e_1_0_1 &
8345 
8346 
8347  )
8348  e_0_1_2 = zetb*( &
8349  +c3*e_0_1_1&
8350  +2*e_1_1_1 &
8351  -2*e_0_1_0)
8352  e_1_1_2 = zetb*( c1*e_0_1_1 &
8353  +c3*e_1_1_1&
8354  +4*e_2_1_1 &
8355  -2*e_1_1_0)
8356  e_2_1_2 = zetb*( c1*e_1_1_1 &
8357  +c3*e_2_1_1&
8358 
8359  )
8360  e_3_1_2 = zetb*( c1*e_2_1_1 &
8361 
8362 
8363  )
8364  e_0_1_2 = zeta*( &
8365  +c2*e_0_0_2&
8366  +2*e_1_0_2 &
8367  )
8368  e_1_1_2 = zeta*( c1*e_0_0_2 &
8369  +c2*e_1_0_2&
8370  +4*e_2_0_2 &
8371  )
8372  e_2_1_2 = zeta*( c1*e_1_0_2 &
8373  +c2*e_2_0_2&
8374 
8375  )
8376  e_3_1_2 = zeta*( c1*e_2_0_2 &
8377 
8378 
8379  )
8380 
8381  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
8382  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
8383  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
8384  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
8385  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
8386  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
8387  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
8388  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
8389  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
8390  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
8391  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
8392  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
8393  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
8394  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
8395  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
8396  r1 = r1 + dr
8397  END DO
8398 
8399  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
8400  END SUBROUTINE
8401  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_2_1_exp_0 ( &
8402  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
8403  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
8404  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
8405  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
8406  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
8407  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
8408  r_pow_t, r_tmp, rr1_delta, rr2_delta
8409 
8410  REAL(kind=dp) :: c1, c2, c3
8411  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
8412  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
8413  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
8414  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
8415  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
8416  & e_1_1_2, e_2_1_2, e_3_1_2
8417 
8418 
8419  dr = lgth
8420  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
8421 
8422  s_r(:, :, :) = 0.0_dp
8423 
8424  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
8425 
8426  h_to_c_0_0 = sqrt(alpha/pi)
8427 
8428  h_to_c_0_1 = 0.0_dp
8429  h_to_c_1_1 = +2*alpha*h_to_c_0_0
8430  h_to_c_0_2 = -1*h_to_c_1_1
8431  h_to_c_1_2 = +2*alpha*h_to_c_0_1
8432  h_to_c_2_2 = +2*alpha*h_to_c_1_1
8433  h_to_c_0_3 = -1*h_to_c_1_2
8434  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
8435  h_to_c_2_3 = +2*alpha*h_to_c_1_2
8436  h_to_c_3_3 = +2*alpha*h_to_c_2_2
8437  h_to_c_0_4 = -1*h_to_c_1_3
8438  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
8439  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
8440  h_to_c_3_4 = +2*alpha*h_to_c_2_3
8441  h_to_c_4_4 = +2*alpha*h_to_c_3_3
8442 
8443 
8444  rr1_delta = (ra - rb)/dr
8445 
8446  rr1_l = ceiling(-r_c(1) + rr1_delta)
8447  rr1_r = floor(r_c(1) + rr1_delta)
8448 
8449  r1 = rr1_l*dr
8450 
8451  alpha_e = zeta*zetb/(zeta + zetb)
8452 
8453  DO rr1 = rr1_l, rr1_r
8454  s_r_t_0 = 0.0_dp
8455  s_r_t2_0 = 0.0_dp
8456  s_r_t_1 = 0.0_dp
8457  s_r_t2_1 = 0.0_dp
8458  s_r_t_2 = 0.0_dp
8459  s_r_t2_2 = 0.0_dp
8460  s_r_t_3 = 0.0_dp
8461  s_r_t2_3 = 0.0_dp
8462  s_r_t_4 = 0.0_dp
8463  s_r_t2_4 = 0.0_dp
8464  r_tmp = r_offset + r1*zeta/(zeta + zetb)
8465  rr2_delta = -r_tmp/dr
8466 
8467  rr2_l = ceiling(-r_c(2) + rr2_delta)
8468  rr2_r = floor(r_c(2) + rr2_delta)
8469 
8470  r = r_tmp + (rr2_l)*dr
8471 
8472 
8473  DO rr2 = rr2_l, rr2_r
8474  r_pow_t = 1.0_dp
8475  exp2_rsq = exp(-alpha*r*r)
8476  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
8477  r_pow_t = r_pow_t*r
8478  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
8479  r_pow_t = r_pow_t*r
8480  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
8481  r_pow_t = r_pow_t*r
8482  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
8483  r_pow_t = r_pow_t*r
8484  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
8485 
8486  r = r + dr
8487  END DO
8488 
8489  ! C --> H
8490  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
8491  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
8492  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
8493  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
8494  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
8495  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
8496  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
8497  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
8498  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
8499  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
8500  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
8501  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
8502  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
8503  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
8504  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
8505 
8506  ! H --> HH
8507  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
8508 
8509  c1 = 1.0_dp/(zeta + zetb)
8510  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
8511  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
8512 
8513  e_0_1_0 = zeta*( &
8514  +c2*e_0_0_0&
8515 
8516  )
8517  e_0_0_1 = zetb*( &
8518  +c3*e_0_0_0&
8519 
8520  )
8521  e_1_1_0 = zeta*( c1*e_0_0_0 &
8522 
8523 
8524  )
8525  e_1_0_1 = zetb*( c1*e_0_0_0 &
8526 
8527 
8528  )
8529  e_0_1_1 = zetb*( &
8530  +c3*e_0_1_0&
8531  +2*e_1_1_0 &
8532  )
8533  e_1_1_1 = zetb*( c1*e_0_1_0 &
8534  +c3*e_1_1_0&
8535 
8536  )
8537  e_2_1_1 = zetb*( c1*e_1_1_0 &
8538 
8539 
8540  )
8541  e_0_1_1 = zeta*( &
8542  +c2*e_0_0_1&
8543  +2*e_1_0_1 &
8544  )
8545  e_0_0_2 = zetb*( &
8546  +c3*e_0_0_1&
8547  +2*e_1_0_1 &
8548  -2*e_0_0_0)
8549  e_1_1_1 = zeta*( c1*e_0_0_1 &
8550  +c2*e_1_0_1&
8551 
8552  )
8553  e_1_0_2 = zetb*( c1*e_0_0_1 &
8554  +c3*e_1_0_1&
8555 
8556  )
8557  e_2_1_1 = zeta*( c1*e_1_0_1 &
8558 
8559 
8560  )
8561  e_2_0_2 = zetb*( c1*e_1_0_1 &
8562 
8563 
8564  )
8565  e_0_1_2 = zetb*( &
8566  +c3*e_0_1_1&
8567  +2*e_1_1_1 &
8568  -2*e_0_1_0)
8569  e_1_1_2 = zetb*( c1*e_0_1_1 &
8570  +c3*e_1_1_1&
8571  +4*e_2_1_1 &
8572  -2*e_1_1_0)
8573  e_2_1_2 = zetb*( c1*e_1_1_1 &
8574  +c3*e_2_1_1&
8575 
8576  )
8577  e_3_1_2 = zetb*( c1*e_2_1_1 &
8578 
8579 
8580  )
8581  e_0_1_2 = zeta*( &
8582  +c2*e_0_0_2&
8583  +2*e_1_0_2 &
8584  )
8585  e_1_1_2 = zeta*( c1*e_0_0_2 &
8586  +c2*e_1_0_2&
8587  +4*e_2_0_2 &
8588  )
8589  e_2_1_2 = zeta*( c1*e_1_0_2 &
8590  +c2*e_2_0_2&
8591 
8592  )
8593  e_3_1_2 = zeta*( c1*e_2_0_2 &
8594 
8595 
8596  )
8597 
8598  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
8599  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
8600  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
8601  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
8602  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
8603  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
8604  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
8605  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
8606  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
8607  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
8608  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
8609  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
8610  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
8611  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
8612  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
8613  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
8614  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
8615  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
8616  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
8617  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
8618  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
8619  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
8620  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
8621  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
8622  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
8623  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
8624  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
8625  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
8626  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
8627  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
8628  r1 = r1 + dr
8629  END DO
8630 
8631  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
8632  END SUBROUTINE
8633  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_2_2_exp_0 ( &
8634  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
8635  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
8636  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
8637  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
8638  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
8639  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
8640  r_pow_t, r_tmp, rr1_delta, rr2_delta
8641 
8642  REAL(kind=dp) :: c1, c2, c3
8643  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
8644  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
8645  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
8646  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
8647  & h_to_c_4_5, h_to_c_5_5
8648  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
8649  & e_1_1_2, e_2_1_2, e_3_1_2
8650 
8651 
8652  dr = lgth
8653  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
8654 
8655  s_r(:, :, :) = 0.0_dp
8656 
8657  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
8658 
8659  h_to_c_0_0 = sqrt(alpha/pi)
8660 
8661  h_to_c_0_1 = 0.0_dp
8662  h_to_c_1_1 = +2*alpha*h_to_c_0_0
8663  h_to_c_0_2 = -1*h_to_c_1_1
8664  h_to_c_1_2 = +2*alpha*h_to_c_0_1
8665  h_to_c_2_2 = +2*alpha*h_to_c_1_1
8666  h_to_c_0_3 = -1*h_to_c_1_2
8667  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
8668  h_to_c_2_3 = +2*alpha*h_to_c_1_2
8669  h_to_c_3_3 = +2*alpha*h_to_c_2_2
8670  h_to_c_0_4 = -1*h_to_c_1_3
8671  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
8672  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
8673  h_to_c_3_4 = +2*alpha*h_to_c_2_3
8674  h_to_c_4_4 = +2*alpha*h_to_c_3_3
8675  h_to_c_0_5 = -1*h_to_c_1_4
8676  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
8677  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
8678  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
8679  h_to_c_4_5 = +2*alpha*h_to_c_3_4
8680  h_to_c_5_5 = +2*alpha*h_to_c_4_4
8681 
8682 
8683  rr1_delta = (ra - rb)/dr
8684 
8685  rr1_l = ceiling(-r_c(1) + rr1_delta)
8686  rr1_r = floor(r_c(1) + rr1_delta)
8687 
8688  r1 = rr1_l*dr
8689 
8690  alpha_e = zeta*zetb/(zeta + zetb)
8691 
8692  DO rr1 = rr1_l, rr1_r
8693  s_r_t_0 = 0.0_dp
8694  s_r_t2_0 = 0.0_dp
8695  s_r_t_1 = 0.0_dp
8696  s_r_t2_1 = 0.0_dp
8697  s_r_t_2 = 0.0_dp
8698  s_r_t2_2 = 0.0_dp
8699  s_r_t_3 = 0.0_dp
8700  s_r_t2_3 = 0.0_dp
8701  s_r_t_4 = 0.0_dp
8702  s_r_t2_4 = 0.0_dp
8703  s_r_t_5 = 0.0_dp
8704  s_r_t2_5 = 0.0_dp
8705  r_tmp = r_offset + r1*zeta/(zeta + zetb)
8706  rr2_delta = -r_tmp/dr
8707 
8708  rr2_l = ceiling(-r_c(2) + rr2_delta)
8709  rr2_r = floor(r_c(2) + rr2_delta)
8710 
8711  r = r_tmp + (rr2_l)*dr
8712 
8713 
8714  DO rr2 = rr2_l, rr2_r
8715  r_pow_t = 1.0_dp
8716  exp2_rsq = exp(-alpha*r*r)
8717  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
8718  r_pow_t = r_pow_t*r
8719  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
8720  r_pow_t = r_pow_t*r
8721  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
8722  r_pow_t = r_pow_t*r
8723  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
8724  r_pow_t = r_pow_t*r
8725  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
8726  r_pow_t = r_pow_t*r
8727  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
8728 
8729  r = r + dr
8730  END DO
8731 
8732  ! C --> H
8733  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
8734  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
8735  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
8736  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
8737  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
8738  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
8739  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
8740  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
8741  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
8742  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
8743  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
8744  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
8745  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
8746  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
8747  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
8748  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
8749  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
8750  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
8751  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
8752  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
8753  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
8754 
8755  ! H --> HH
8756  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
8757 
8758  c1 = 1.0_dp/(zeta + zetb)
8759  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
8760  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
8761 
8762  e_0_1_0 = zeta*( &
8763  +c2*e_0_0_0&
8764 
8765  )
8766  e_0_0_1 = zetb*( &
8767  +c3*e_0_0_0&
8768 
8769  )
8770  e_1_1_0 = zeta*( c1*e_0_0_0 &
8771 
8772 
8773  )
8774  e_1_0_1 = zetb*( c1*e_0_0_0 &
8775 
8776 
8777  )
8778  e_0_1_1 = zetb*( &
8779  +c3*e_0_1_0&
8780  +2*e_1_1_0 &
8781  )
8782  e_1_1_1 = zetb*( c1*e_0_1_0 &
8783  +c3*e_1_1_0&
8784 
8785  )
8786  e_2_1_1 = zetb*( c1*e_1_1_0 &
8787 
8788 
8789  )
8790  e_0_1_1 = zeta*( &
8791  +c2*e_0_0_1&
8792  +2*e_1_0_1 &
8793  )
8794  e_0_0_2 = zetb*( &
8795  +c3*e_0_0_1&
8796  +2*e_1_0_1 &
8797  -2*e_0_0_0)
8798  e_1_1_1 = zeta*( c1*e_0_0_1 &
8799  +c2*e_1_0_1&
8800 
8801  )
8802  e_1_0_2 = zetb*( c1*e_0_0_1 &
8803  +c3*e_1_0_1&
8804 
8805  )
8806  e_2_1_1 = zeta*( c1*e_1_0_1 &
8807 
8808 
8809  )
8810  e_2_0_2 = zetb*( c1*e_1_0_1 &
8811 
8812 
8813  )
8814  e_0_1_2 = zetb*( &
8815  +c3*e_0_1_1&
8816  +2*e_1_1_1 &
8817  -2*e_0_1_0)
8818  e_1_1_2 = zetb*( c1*e_0_1_1 &
8819  +c3*e_1_1_1&
8820  +4*e_2_1_1 &
8821  -2*e_1_1_0)
8822  e_2_1_2 = zetb*( c1*e_1_1_1 &
8823  +c3*e_2_1_1&
8824 
8825  )
8826  e_3_1_2 = zetb*( c1*e_2_1_1 &
8827 
8828 
8829  )
8830  e_0_1_2 = zeta*( &
8831  +c2*e_0_0_2&
8832  +2*e_1_0_2 &
8833  )
8834  e_1_1_2 = zeta*( c1*e_0_0_2 &
8835  +c2*e_1_0_2&
8836  +4*e_2_0_2 &
8837  )
8838  e_2_1_2 = zeta*( c1*e_1_0_2 &
8839  +c2*e_2_0_2&
8840 
8841  )
8842  e_3_1_2 = zeta*( c1*e_2_0_2 &
8843 
8844 
8845  )
8846 
8847  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
8848  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
8849  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
8850  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
8851  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
8852  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
8853  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
8854  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
8855  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
8856  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
8857  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
8858  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
8859  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
8860  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
8861  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
8862  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
8863  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
8864  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
8865  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
8866  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
8867  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
8868  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
8869  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
8870  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
8871  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
8872  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
8873  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
8874  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
8875  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
8876  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
8877  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
8878  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
8879  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
8880  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
8881  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
8882  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
8883  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
8884  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
8885  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
8886  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
8887  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
8888  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
8889  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
8890  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
8891  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
8892  r1 = r1 + dr
8893  END DO
8894 
8895  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
8896  END SUBROUTINE
8897  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_2_3_exp_0 ( &
8898  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
8899  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
8900  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
8901  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
8902  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
8903  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
8904  r_pow_t, r_tmp, rr1_delta, rr2_delta
8905 
8906  REAL(kind=dp) :: c1, c2, c3
8907  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
8908  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
8909  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
8910  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
8911  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
8912  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
8913  & e_1_1_2, e_2_1_2, e_3_1_2
8914 
8915 
8916  dr = lgth
8917  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
8918 
8919  s_r(:, :, :) = 0.0_dp
8920 
8921  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
8922 
8923  h_to_c_0_0 = sqrt(alpha/pi)
8924 
8925  h_to_c_0_1 = 0.0_dp
8926  h_to_c_1_1 = +2*alpha*h_to_c_0_0
8927  h_to_c_0_2 = -1*h_to_c_1_1
8928  h_to_c_1_2 = +2*alpha*h_to_c_0_1
8929  h_to_c_2_2 = +2*alpha*h_to_c_1_1
8930  h_to_c_0_3 = -1*h_to_c_1_2
8931  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
8932  h_to_c_2_3 = +2*alpha*h_to_c_1_2
8933  h_to_c_3_3 = +2*alpha*h_to_c_2_2
8934  h_to_c_0_4 = -1*h_to_c_1_3
8935  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
8936  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
8937  h_to_c_3_4 = +2*alpha*h_to_c_2_3
8938  h_to_c_4_4 = +2*alpha*h_to_c_3_3
8939  h_to_c_0_5 = -1*h_to_c_1_4
8940  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
8941  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
8942  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
8943  h_to_c_4_5 = +2*alpha*h_to_c_3_4
8944  h_to_c_5_5 = +2*alpha*h_to_c_4_4
8945  h_to_c_0_6 = -1*h_to_c_1_5
8946  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
8947  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
8948  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
8949  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
8950  h_to_c_5_6 = +2*alpha*h_to_c_4_5
8951  h_to_c_6_6 = +2*alpha*h_to_c_5_5
8952 
8953 
8954  rr1_delta = (ra - rb)/dr
8955 
8956  rr1_l = ceiling(-r_c(1) + rr1_delta)
8957  rr1_r = floor(r_c(1) + rr1_delta)
8958 
8959  r1 = rr1_l*dr
8960 
8961  alpha_e = zeta*zetb/(zeta + zetb)
8962 
8963  DO rr1 = rr1_l, rr1_r
8964  s_r_t_0 = 0.0_dp
8965  s_r_t2_0 = 0.0_dp
8966  s_r_t_1 = 0.0_dp
8967  s_r_t2_1 = 0.0_dp
8968  s_r_t_2 = 0.0_dp
8969  s_r_t2_2 = 0.0_dp
8970  s_r_t_3 = 0.0_dp
8971  s_r_t2_3 = 0.0_dp
8972  s_r_t_4 = 0.0_dp
8973  s_r_t2_4 = 0.0_dp
8974  s_r_t_5 = 0.0_dp
8975  s_r_t2_5 = 0.0_dp
8976  s_r_t_6 = 0.0_dp
8977  s_r_t2_6 = 0.0_dp
8978  r_tmp = r_offset + r1*zeta/(zeta + zetb)
8979  rr2_delta = -r_tmp/dr
8980 
8981  rr2_l = ceiling(-r_c(2) + rr2_delta)
8982  rr2_r = floor(r_c(2) + rr2_delta)
8983 
8984  r = r_tmp + (rr2_l)*dr
8985 
8986 
8987  DO rr2 = rr2_l, rr2_r
8988  r_pow_t = 1.0_dp
8989  exp2_rsq = exp(-alpha*r*r)
8990  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
8991  r_pow_t = r_pow_t*r
8992  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
8993  r_pow_t = r_pow_t*r
8994  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
8995  r_pow_t = r_pow_t*r
8996  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
8997  r_pow_t = r_pow_t*r
8998  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
8999  r_pow_t = r_pow_t*r
9000  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
9001  r_pow_t = r_pow_t*r
9002  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
9003 
9004  r = r + dr
9005  END DO
9006 
9007  ! C --> H
9008  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
9009  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
9010  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
9011  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
9012  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
9013  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
9014  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
9015  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
9016  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
9017  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
9018  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
9019  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
9020  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
9021  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
9022  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
9023  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
9024  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
9025  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
9026  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
9027  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
9028  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
9029  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
9030  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
9031  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
9032  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
9033  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
9034  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
9035  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
9036 
9037  ! H --> HH
9038  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
9039 
9040  c1 = 1.0_dp/(zeta + zetb)
9041  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
9042  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
9043 
9044  e_0_1_0 = zeta*( &
9045  +c2*e_0_0_0&
9046 
9047  )
9048  e_0_0_1 = zetb*( &
9049  +c3*e_0_0_0&
9050 
9051  )
9052  e_1_1_0 = zeta*( c1*e_0_0_0 &
9053 
9054 
9055  )
9056  e_1_0_1 = zetb*( c1*e_0_0_0 &
9057 
9058 
9059  )
9060  e_0_1_1 = zetb*( &
9061  +c3*e_0_1_0&
9062  +2*e_1_1_0 &
9063  )
9064  e_1_1_1 = zetb*( c1*e_0_1_0 &
9065  +c3*e_1_1_0&
9066 
9067  )
9068  e_2_1_1 = zetb*( c1*e_1_1_0 &
9069 
9070 
9071  )
9072  e_0_1_1 = zeta*( &
9073  +c2*e_0_0_1&
9074  +2*e_1_0_1 &
9075  )
9076  e_0_0_2 = zetb*( &
9077  +c3*e_0_0_1&
9078  +2*e_1_0_1 &
9079  -2*e_0_0_0)
9080  e_1_1_1 = zeta*( c1*e_0_0_1 &
9081  +c2*e_1_0_1&
9082 
9083  )
9084  e_1_0_2 = zetb*( c1*e_0_0_1 &
9085  +c3*e_1_0_1&
9086 
9087  )
9088  e_2_1_1 = zeta*( c1*e_1_0_1 &
9089 
9090 
9091  )
9092  e_2_0_2 = zetb*( c1*e_1_0_1 &
9093 
9094 
9095  )
9096  e_0_1_2 = zetb*( &
9097  +c3*e_0_1_1&
9098  +2*e_1_1_1 &
9099  -2*e_0_1_0)
9100  e_1_1_2 = zetb*( c1*e_0_1_1 &
9101  +c3*e_1_1_1&
9102  +4*e_2_1_1 &
9103  -2*e_1_1_0)
9104  e_2_1_2 = zetb*( c1*e_1_1_1 &
9105  +c3*e_2_1_1&
9106 
9107  )
9108  e_3_1_2 = zetb*( c1*e_2_1_1 &
9109 
9110 
9111  )
9112  e_0_1_2 = zeta*( &
9113  +c2*e_0_0_2&
9114  +2*e_1_0_2 &
9115  )
9116  e_1_1_2 = zeta*( c1*e_0_0_2 &
9117  +c2*e_1_0_2&
9118  +4*e_2_0_2 &
9119  )
9120  e_2_1_2 = zeta*( c1*e_1_0_2 &
9121  +c2*e_2_0_2&
9122 
9123  )
9124  e_3_1_2 = zeta*( c1*e_2_0_2 &
9125 
9126 
9127  )
9128 
9129  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
9130  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
9131  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
9132  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
9133  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
9134  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
9135  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
9136  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
9137  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
9138  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
9139  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
9140  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
9141  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
9142  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
9143  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
9144  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
9145  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
9146  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
9147  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
9148  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
9149  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
9150  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
9151  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
9152  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
9153  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
9154  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
9155  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
9156  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
9157  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
9158  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
9159  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
9160  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
9161  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
9162  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
9163  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
9164  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
9165  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
9166  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
9167  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
9168  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
9169  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
9170  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
9171  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
9172  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
9173  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
9174  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
9175  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
9176  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
9177  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
9178  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
9179  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
9180  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
9181  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
9182  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
9183  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
9184  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
9185  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
9186  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
9187  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
9188  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
9189  r1 = r1 + dr
9190  END DO
9191 
9192  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
9193  END SUBROUTINE
9194  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_2_4_exp_0 ( &
9195  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
9196  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
9197  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
9198  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
9199  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
9200  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
9201  r_pow_t, r_tmp, rr1_delta, rr2_delta
9202 
9203  REAL(kind=dp) :: c1, c2, c3
9204  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
9205  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
9206  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
9207  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
9208  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
9209  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
9210  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
9211  & e_1_1_2, e_2_1_2, e_3_1_2
9212 
9213 
9214  dr = lgth
9215  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
9216 
9217  s_r(:, :, :) = 0.0_dp
9218 
9219  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
9220 
9221  h_to_c_0_0 = sqrt(alpha/pi)
9222 
9223  h_to_c_0_1 = 0.0_dp
9224  h_to_c_1_1 = +2*alpha*h_to_c_0_0
9225  h_to_c_0_2 = -1*h_to_c_1_1
9226  h_to_c_1_2 = +2*alpha*h_to_c_0_1
9227  h_to_c_2_2 = +2*alpha*h_to_c_1_1
9228  h_to_c_0_3 = -1*h_to_c_1_2
9229  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
9230  h_to_c_2_3 = +2*alpha*h_to_c_1_2
9231  h_to_c_3_3 = +2*alpha*h_to_c_2_2
9232  h_to_c_0_4 = -1*h_to_c_1_3
9233  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
9234  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
9235  h_to_c_3_4 = +2*alpha*h_to_c_2_3
9236  h_to_c_4_4 = +2*alpha*h_to_c_3_3
9237  h_to_c_0_5 = -1*h_to_c_1_4
9238  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
9239  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
9240  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
9241  h_to_c_4_5 = +2*alpha*h_to_c_3_4
9242  h_to_c_5_5 = +2*alpha*h_to_c_4_4
9243  h_to_c_0_6 = -1*h_to_c_1_5
9244  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
9245  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
9246  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
9247  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
9248  h_to_c_5_6 = +2*alpha*h_to_c_4_5
9249  h_to_c_6_6 = +2*alpha*h_to_c_5_5
9250  h_to_c_0_7 = -1*h_to_c_1_6
9251  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
9252  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
9253  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
9254  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
9255  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
9256  h_to_c_6_7 = +2*alpha*h_to_c_5_6
9257  h_to_c_7_7 = +2*alpha*h_to_c_6_6
9258 
9259 
9260  rr1_delta = (ra - rb)/dr
9261 
9262  rr1_l = ceiling(-r_c(1) + rr1_delta)
9263  rr1_r = floor(r_c(1) + rr1_delta)
9264 
9265  r1 = rr1_l*dr
9266 
9267  alpha_e = zeta*zetb/(zeta + zetb)
9268 
9269  DO rr1 = rr1_l, rr1_r
9270  s_r_t_0 = 0.0_dp
9271  s_r_t2_0 = 0.0_dp
9272  s_r_t_1 = 0.0_dp
9273  s_r_t2_1 = 0.0_dp
9274  s_r_t_2 = 0.0_dp
9275  s_r_t2_2 = 0.0_dp
9276  s_r_t_3 = 0.0_dp
9277  s_r_t2_3 = 0.0_dp
9278  s_r_t_4 = 0.0_dp
9279  s_r_t2_4 = 0.0_dp
9280  s_r_t_5 = 0.0_dp
9281  s_r_t2_5 = 0.0_dp
9282  s_r_t_6 = 0.0_dp
9283  s_r_t2_6 = 0.0_dp
9284  s_r_t_7 = 0.0_dp
9285  s_r_t2_7 = 0.0_dp
9286  r_tmp = r_offset + r1*zeta/(zeta + zetb)
9287  rr2_delta = -r_tmp/dr
9288 
9289  rr2_l = ceiling(-r_c(2) + rr2_delta)
9290  rr2_r = floor(r_c(2) + rr2_delta)
9291 
9292  r = r_tmp + (rr2_l)*dr
9293 
9294 
9295  DO rr2 = rr2_l, rr2_r
9296  r_pow_t = 1.0_dp
9297  exp2_rsq = exp(-alpha*r*r)
9298  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
9299  r_pow_t = r_pow_t*r
9300  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
9301  r_pow_t = r_pow_t*r
9302  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
9303  r_pow_t = r_pow_t*r
9304  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
9305  r_pow_t = r_pow_t*r
9306  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
9307  r_pow_t = r_pow_t*r
9308  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
9309  r_pow_t = r_pow_t*r
9310  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
9311  r_pow_t = r_pow_t*r
9312  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
9313 
9314  r = r + dr
9315  END DO
9316 
9317  ! C --> H
9318  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
9319  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
9320  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
9321  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
9322  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
9323  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
9324  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
9325  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
9326  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
9327  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
9328  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
9329  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
9330  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
9331  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
9332  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
9333  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
9334  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
9335  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
9336  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
9337  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
9338  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
9339  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
9340  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
9341  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
9342  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
9343  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
9344  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
9345  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
9346  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
9347  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
9348  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
9349  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
9350  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
9351  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
9352  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
9353  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
9354 
9355  ! H --> HH
9356  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
9357 
9358  c1 = 1.0_dp/(zeta + zetb)
9359  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
9360  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
9361 
9362  e_0_1_0 = zeta*( &
9363  +c2*e_0_0_0&
9364 
9365  )
9366  e_0_0_1 = zetb*( &
9367  +c3*e_0_0_0&
9368 
9369  )
9370  e_1_1_0 = zeta*( c1*e_0_0_0 &
9371 
9372 
9373  )
9374  e_1_0_1 = zetb*( c1*e_0_0_0 &
9375 
9376 
9377  )
9378  e_0_1_1 = zetb*( &
9379  +c3*e_0_1_0&
9380  +2*e_1_1_0 &
9381  )
9382  e_1_1_1 = zetb*( c1*e_0_1_0 &
9383  +c3*e_1_1_0&
9384 
9385  )
9386  e_2_1_1 = zetb*( c1*e_1_1_0 &
9387 
9388 
9389  )
9390  e_0_1_1 = zeta*( &
9391  +c2*e_0_0_1&
9392  +2*e_1_0_1 &
9393  )
9394  e_0_0_2 = zetb*( &
9395  +c3*e_0_0_1&
9396  +2*e_1_0_1 &
9397  -2*e_0_0_0)
9398  e_1_1_1 = zeta*( c1*e_0_0_1 &
9399  +c2*e_1_0_1&
9400 
9401  )
9402  e_1_0_2 = zetb*( c1*e_0_0_1 &
9403  +c3*e_1_0_1&
9404 
9405  )
9406  e_2_1_1 = zeta*( c1*e_1_0_1 &
9407 
9408 
9409  )
9410  e_2_0_2 = zetb*( c1*e_1_0_1 &
9411 
9412 
9413  )
9414  e_0_1_2 = zetb*( &
9415  +c3*e_0_1_1&
9416  +2*e_1_1_1 &
9417  -2*e_0_1_0)
9418  e_1_1_2 = zetb*( c1*e_0_1_1 &
9419  +c3*e_1_1_1&
9420  +4*e_2_1_1 &
9421  -2*e_1_1_0)
9422  e_2_1_2 = zetb*( c1*e_1_1_1 &
9423  +c3*e_2_1_1&
9424 
9425  )
9426  e_3_1_2 = zetb*( c1*e_2_1_1 &
9427 
9428 
9429  )
9430  e_0_1_2 = zeta*( &
9431  +c2*e_0_0_2&
9432  +2*e_1_0_2 &
9433  )
9434  e_1_1_2 = zeta*( c1*e_0_0_2 &
9435  +c2*e_1_0_2&
9436  +4*e_2_0_2 &
9437  )
9438  e_2_1_2 = zeta*( c1*e_1_0_2 &
9439  +c2*e_2_0_2&
9440 
9441  )
9442  e_3_1_2 = zeta*( c1*e_2_0_2 &
9443 
9444 
9445  )
9446 
9447  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
9448  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
9449  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
9450  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
9451  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
9452  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
9453  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
9454  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
9455  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
9456  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
9457  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
9458  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
9459  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
9460  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
9461  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
9462  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
9463  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
9464  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
9465  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
9466  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
9467  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
9468  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
9469  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
9470  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
9471  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
9472  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
9473  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
9474  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
9475  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
9476  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
9477  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
9478  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
9479  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
9480  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
9481  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
9482  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
9483  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
9484  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
9485  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
9486  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
9487  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
9488  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
9489  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
9490  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
9491  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
9492  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
9493  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
9494  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
9495  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
9496  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
9497  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
9498  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
9499  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
9500  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
9501  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
9502  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
9503  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
9504  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
9505  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
9506  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
9507  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
9508  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
9509  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
9510  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
9511  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
9512  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
9513  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
9514  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
9515  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
9516  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
9517  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
9518  s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
9519  s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
9520  s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
9521  s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
9522  r1 = r1 + dr
9523  END DO
9524 
9525  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
9526  END SUBROUTINE
9527  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_3_0_exp_0 ( &
9528  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
9529  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
9530  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
9531  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
9532  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
9533  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
9534  r_pow_t, r_tmp, rr1_delta, rr2_delta
9535 
9536  REAL(kind=dp) :: c1, c2, c3
9537  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
9538  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
9539  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
9540  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
9541  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
9542  & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3
9543 
9544 
9545  dr = lgth
9546  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
9547 
9548  s_r(:, :, :) = 0.0_dp
9549 
9550  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
9551 
9552  h_to_c_0_0 = sqrt(alpha/pi)
9553 
9554  h_to_c_0_1 = 0.0_dp
9555  h_to_c_1_1 = +2*alpha*h_to_c_0_0
9556  h_to_c_0_2 = -1*h_to_c_1_1
9557  h_to_c_1_2 = +2*alpha*h_to_c_0_1
9558  h_to_c_2_2 = +2*alpha*h_to_c_1_1
9559  h_to_c_0_3 = -1*h_to_c_1_2
9560  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
9561  h_to_c_2_3 = +2*alpha*h_to_c_1_2
9562  h_to_c_3_3 = +2*alpha*h_to_c_2_2
9563  h_to_c_0_4 = -1*h_to_c_1_3
9564  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
9565  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
9566  h_to_c_3_4 = +2*alpha*h_to_c_2_3
9567  h_to_c_4_4 = +2*alpha*h_to_c_3_3
9568 
9569 
9570  rr1_delta = (ra - rb)/dr
9571 
9572  rr1_l = ceiling(-r_c(1) + rr1_delta)
9573  rr1_r = floor(r_c(1) + rr1_delta)
9574 
9575  r1 = rr1_l*dr
9576 
9577  alpha_e = zeta*zetb/(zeta + zetb)
9578 
9579  DO rr1 = rr1_l, rr1_r
9580  s_r_t_0 = 0.0_dp
9581  s_r_t2_0 = 0.0_dp
9582  s_r_t_1 = 0.0_dp
9583  s_r_t2_1 = 0.0_dp
9584  s_r_t_2 = 0.0_dp
9585  s_r_t2_2 = 0.0_dp
9586  s_r_t_3 = 0.0_dp
9587  s_r_t2_3 = 0.0_dp
9588  s_r_t_4 = 0.0_dp
9589  s_r_t2_4 = 0.0_dp
9590  r_tmp = r_offset + r1*zeta/(zeta + zetb)
9591  rr2_delta = -r_tmp/dr
9592 
9593  rr2_l = ceiling(-r_c(2) + rr2_delta)
9594  rr2_r = floor(r_c(2) + rr2_delta)
9595 
9596  r = r_tmp + (rr2_l)*dr
9597 
9598 
9599  DO rr2 = rr2_l, rr2_r
9600  r_pow_t = 1.0_dp
9601  exp2_rsq = exp(-alpha*r*r)
9602  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
9603  r_pow_t = r_pow_t*r
9604  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
9605  r_pow_t = r_pow_t*r
9606  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
9607  r_pow_t = r_pow_t*r
9608  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
9609  r_pow_t = r_pow_t*r
9610  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
9611 
9612  r = r + dr
9613  END DO
9614 
9615  ! C --> H
9616  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
9617  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
9618  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
9619  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
9620  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
9621  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
9622  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
9623  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
9624  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
9625  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
9626  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
9627  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
9628  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
9629  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
9630  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
9631 
9632  ! H --> HH
9633  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
9634 
9635  c1 = 1.0_dp/(zeta + zetb)
9636  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
9637  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
9638 
9639  e_0_1_0 = zeta*( &
9640  +c2*e_0_0_0&
9641 
9642  )
9643  e_0_0_1 = zetb*( &
9644  +c3*e_0_0_0&
9645 
9646  )
9647  e_1_1_0 = zeta*( c1*e_0_0_0 &
9648 
9649 
9650  )
9651  e_1_0_1 = zetb*( c1*e_0_0_0 &
9652 
9653 
9654  )
9655  e_0_1_1 = zetb*( &
9656  +c3*e_0_1_0&
9657  +2*e_1_1_0 &
9658  )
9659  e_1_1_1 = zetb*( c1*e_0_1_0 &
9660  +c3*e_1_1_0&
9661 
9662  )
9663  e_2_1_1 = zetb*( c1*e_1_1_0 &
9664 
9665 
9666  )
9667  e_0_1_1 = zeta*( &
9668  +c2*e_0_0_1&
9669  +2*e_1_0_1 &
9670  )
9671  e_0_0_2 = zetb*( &
9672  +c3*e_0_0_1&
9673  +2*e_1_0_1 &
9674  -2*e_0_0_0)
9675  e_1_1_1 = zeta*( c1*e_0_0_1 &
9676  +c2*e_1_0_1&
9677 
9678  )
9679  e_1_0_2 = zetb*( c1*e_0_0_1 &
9680  +c3*e_1_0_1&
9681 
9682  )
9683  e_2_1_1 = zeta*( c1*e_1_0_1 &
9684 
9685 
9686  )
9687  e_2_0_2 = zetb*( c1*e_1_0_1 &
9688 
9689 
9690  )
9691  e_0_1_2 = zetb*( &
9692  +c3*e_0_1_1&
9693  +2*e_1_1_1 &
9694  -2*e_0_1_0)
9695  e_1_1_2 = zetb*( c1*e_0_1_1 &
9696  +c3*e_1_1_1&
9697  +4*e_2_1_1 &
9698  -2*e_1_1_0)
9699  e_2_1_2 = zetb*( c1*e_1_1_1 &
9700  +c3*e_2_1_1&
9701 
9702  )
9703  e_3_1_2 = zetb*( c1*e_2_1_1 &
9704 
9705 
9706  )
9707  e_0_1_2 = zeta*( &
9708  +c2*e_0_0_2&
9709  +2*e_1_0_2 &
9710  )
9711  e_0_0_3 = zetb*( &
9712  +c3*e_0_0_2&
9713  +2*e_1_0_2 &
9714  -4*e_0_0_1)
9715  e_1_1_2 = zeta*( c1*e_0_0_2 &
9716  +c2*e_1_0_2&
9717  +4*e_2_0_2 &
9718  )
9719  e_1_0_3 = zetb*( c1*e_0_0_2 &
9720  +c3*e_1_0_2&
9721  +4*e_2_0_2 &
9722  -4*e_1_0_1)
9723  e_2_1_2 = zeta*( c1*e_1_0_2 &
9724  +c2*e_2_0_2&
9725 
9726  )
9727  e_2_0_3 = zetb*( c1*e_1_0_2 &
9728  +c3*e_2_0_2&
9729 
9730  )
9731  e_3_1_2 = zeta*( c1*e_2_0_2 &
9732 
9733 
9734  )
9735  e_3_0_3 = zetb*( c1*e_2_0_2 &
9736 
9737 
9738  )
9739  e_0_1_3 = zetb*( &
9740  +c3*e_0_1_2&
9741  +2*e_1_1_2 &
9742  -4*e_0_1_1)
9743  e_1_1_3 = zetb*( c1*e_0_1_2 &
9744  +c3*e_1_1_2&
9745  +4*e_2_1_2 &
9746  -4*e_1_1_1)
9747  e_2_1_3 = zetb*( c1*e_1_1_2 &
9748  +c3*e_2_1_2&
9749  +6*e_3_1_2 &
9750  -4*e_2_1_1)
9751  e_3_1_3 = zetb*( c1*e_2_1_2 &
9752  +c3*e_3_1_2&
9753 
9754  )
9755  e_4_1_3 = zetb*( c1*e_3_1_2 &
9756 
9757 
9758  )
9759  e_0_1_3 = zeta*( &
9760  +c2*e_0_0_3&
9761  +2*e_1_0_3 &
9762  )
9763  e_1_1_3 = zeta*( c1*e_0_0_3 &
9764  +c2*e_1_0_3&
9765  +4*e_2_0_3 &
9766  )
9767  e_2_1_3 = zeta*( c1*e_1_0_3 &
9768  +c2*e_2_0_3&
9769  +6*e_3_0_3 &
9770  )
9771  e_3_1_3 = zeta*( c1*e_2_0_3 &
9772  +c2*e_3_0_3&
9773 
9774  )
9775  e_4_1_3 = zeta*( c1*e_3_0_3 &
9776 
9777 
9778  )
9779 
9780  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
9781  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
9782  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
9783  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
9784  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
9785  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
9786  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
9787  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
9788  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
9789  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
9790  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
9791  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
9792  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
9793  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
9794  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
9795  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
9796  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
9797  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
9798  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
9799  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
9800  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
9801  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
9802  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
9803  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
9804  r1 = r1 + dr
9805  END DO
9806 
9807  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
9808  END SUBROUTINE
9809  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_3_1_exp_0 ( &
9810  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
9811  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
9812  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
9813  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
9814  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
9815  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
9816  r_pow_t, r_tmp, rr1_delta, rr2_delta
9817 
9818  REAL(kind=dp) :: c1, c2, c3
9819  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
9820  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
9821  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
9822  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
9823  & h_to_c_4_5, h_to_c_5_5
9824  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
9825  & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3
9826 
9827 
9828  dr = lgth
9829  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
9830 
9831  s_r(:, :, :) = 0.0_dp
9832 
9833  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
9834 
9835  h_to_c_0_0 = sqrt(alpha/pi)
9836 
9837  h_to_c_0_1 = 0.0_dp
9838  h_to_c_1_1 = +2*alpha*h_to_c_0_0
9839  h_to_c_0_2 = -1*h_to_c_1_1
9840  h_to_c_1_2 = +2*alpha*h_to_c_0_1
9841  h_to_c_2_2 = +2*alpha*h_to_c_1_1
9842  h_to_c_0_3 = -1*h_to_c_1_2
9843  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
9844  h_to_c_2_3 = +2*alpha*h_to_c_1_2
9845  h_to_c_3_3 = +2*alpha*h_to_c_2_2
9846  h_to_c_0_4 = -1*h_to_c_1_3
9847  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
9848  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
9849  h_to_c_3_4 = +2*alpha*h_to_c_2_3
9850  h_to_c_4_4 = +2*alpha*h_to_c_3_3
9851  h_to_c_0_5 = -1*h_to_c_1_4
9852  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
9853  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
9854  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
9855  h_to_c_4_5 = +2*alpha*h_to_c_3_4
9856  h_to_c_5_5 = +2*alpha*h_to_c_4_4
9857 
9858 
9859  rr1_delta = (ra - rb)/dr
9860 
9861  rr1_l = ceiling(-r_c(1) + rr1_delta)
9862  rr1_r = floor(r_c(1) + rr1_delta)
9863 
9864  r1 = rr1_l*dr
9865 
9866  alpha_e = zeta*zetb/(zeta + zetb)
9867 
9868  DO rr1 = rr1_l, rr1_r
9869  s_r_t_0 = 0.0_dp
9870  s_r_t2_0 = 0.0_dp
9871  s_r_t_1 = 0.0_dp
9872  s_r_t2_1 = 0.0_dp
9873  s_r_t_2 = 0.0_dp
9874  s_r_t2_2 = 0.0_dp
9875  s_r_t_3 = 0.0_dp
9876  s_r_t2_3 = 0.0_dp
9877  s_r_t_4 = 0.0_dp
9878  s_r_t2_4 = 0.0_dp
9879  s_r_t_5 = 0.0_dp
9880  s_r_t2_5 = 0.0_dp
9881  r_tmp = r_offset + r1*zeta/(zeta + zetb)
9882  rr2_delta = -r_tmp/dr
9883 
9884  rr2_l = ceiling(-r_c(2) + rr2_delta)
9885  rr2_r = floor(r_c(2) + rr2_delta)
9886 
9887  r = r_tmp + (rr2_l)*dr
9888 
9889 
9890  DO rr2 = rr2_l, rr2_r
9891  r_pow_t = 1.0_dp
9892  exp2_rsq = exp(-alpha*r*r)
9893  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
9894  r_pow_t = r_pow_t*r
9895  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
9896  r_pow_t = r_pow_t*r
9897  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
9898  r_pow_t = r_pow_t*r
9899  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
9900  r_pow_t = r_pow_t*r
9901  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
9902  r_pow_t = r_pow_t*r
9903  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
9904 
9905  r = r + dr
9906  END DO
9907 
9908  ! C --> H
9909  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
9910  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
9911  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
9912  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
9913  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
9914  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
9915  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
9916  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
9917  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
9918  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
9919  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
9920  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
9921  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
9922  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
9923  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
9924  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
9925  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
9926  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
9927  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
9928  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
9929  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
9930 
9931  ! H --> HH
9932  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
9933 
9934  c1 = 1.0_dp/(zeta + zetb)
9935  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
9936  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
9937 
9938  e_0_1_0 = zeta*( &
9939  +c2*e_0_0_0&
9940 
9941  )
9942  e_0_0_1 = zetb*( &
9943  +c3*e_0_0_0&
9944 
9945  )
9946  e_1_1_0 = zeta*( c1*e_0_0_0 &
9947 
9948 
9949  )
9950  e_1_0_1 = zetb*( c1*e_0_0_0 &
9951 
9952 
9953  )
9954  e_0_1_1 = zetb*( &
9955  +c3*e_0_1_0&
9956  +2*e_1_1_0 &
9957  )
9958  e_1_1_1 = zetb*( c1*e_0_1_0 &
9959  +c3*e_1_1_0&
9960 
9961  )
9962  e_2_1_1 = zetb*( c1*e_1_1_0 &
9963 
9964 
9965  )
9966  e_0_1_1 = zeta*( &
9967  +c2*e_0_0_1&
9968  +2*e_1_0_1 &
9969  )
9970  e_0_0_2 = zetb*( &
9971  +c3*e_0_0_1&
9972  +2*e_1_0_1 &
9973  -2*e_0_0_0)
9974  e_1_1_1 = zeta*( c1*e_0_0_1 &
9975  +c2*e_1_0_1&
9976 
9977  )
9978  e_1_0_2 = zetb*( c1*e_0_0_1 &
9979  +c3*e_1_0_1&
9980 
9981  )
9982  e_2_1_1 = zeta*( c1*e_1_0_1 &
9983 
9984 
9985  )
9986  e_2_0_2 = zetb*( c1*e_1_0_1 &
9987 
9988 
9989  )
9990  e_0_1_2 = zetb*( &
9991  +c3*e_0_1_1&
9992  +2*e_1_1_1 &
9993  -2*e_0_1_0)
9994  e_1_1_2 = zetb*( c1*e_0_1_1 &
9995  +c3*e_1_1_1&
9996  +4*e_2_1_1 &
9997  -2*e_1_1_0)
9998  e_2_1_2 = zetb*( c1*e_1_1_1 &
9999  +c3*e_2_1_1&
10000 
10001  )
10002  e_3_1_2 = zetb*( c1*e_2_1_1 &
10003 
10004 
10005  )
10006  e_0_1_2 = zeta*( &
10007  +c2*e_0_0_2&
10008  +2*e_1_0_2 &
10009  )
10010  e_0_0_3 = zetb*( &
10011  +c3*e_0_0_2&
10012  +2*e_1_0_2 &
10013  -4*e_0_0_1)
10014  e_1_1_2 = zeta*( c1*e_0_0_2 &
10015  +c2*e_1_0_2&
10016  +4*e_2_0_2 &
10017  )
10018  e_1_0_3 = zetb*( c1*e_0_0_2 &
10019  +c3*e_1_0_2&
10020  +4*e_2_0_2 &
10021  -4*e_1_0_1)
10022  e_2_1_2 = zeta*( c1*e_1_0_2 &
10023  +c2*e_2_0_2&
10024 
10025  )
10026  e_2_0_3 = zetb*( c1*e_1_0_2 &
10027  +c3*e_2_0_2&
10028 
10029  )
10030  e_3_1_2 = zeta*( c1*e_2_0_2 &
10031 
10032 
10033  )
10034  e_3_0_3 = zetb*( c1*e_2_0_2 &
10035 
10036 
10037  )
10038  e_0_1_3 = zetb*( &
10039  +c3*e_0_1_2&
10040  +2*e_1_1_2 &
10041  -4*e_0_1_1)
10042  e_1_1_3 = zetb*( c1*e_0_1_2 &
10043  +c3*e_1_1_2&
10044  +4*e_2_1_2 &
10045  -4*e_1_1_1)
10046  e_2_1_3 = zetb*( c1*e_1_1_2 &
10047  +c3*e_2_1_2&
10048  +6*e_3_1_2 &
10049  -4*e_2_1_1)
10050  e_3_1_3 = zetb*( c1*e_2_1_2 &
10051  +c3*e_3_1_2&
10052 
10053  )
10054  e_4_1_3 = zetb*( c1*e_3_1_2 &
10055 
10056 
10057  )
10058  e_0_1_3 = zeta*( &
10059  +c2*e_0_0_3&
10060  +2*e_1_0_3 &
10061  )
10062  e_1_1_3 = zeta*( c1*e_0_0_3 &
10063  +c2*e_1_0_3&
10064  +4*e_2_0_3 &
10065  )
10066  e_2_1_3 = zeta*( c1*e_1_0_3 &
10067  +c2*e_2_0_3&
10068  +6*e_3_0_3 &
10069  )
10070  e_3_1_3 = zeta*( c1*e_2_0_3 &
10071  +c2*e_3_0_3&
10072 
10073  )
10074  e_4_1_3 = zeta*( c1*e_3_0_3 &
10075 
10076 
10077  )
10078 
10079  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
10080  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
10081  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
10082  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
10083  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
10084  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
10085  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
10086  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
10087  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
10088  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
10089  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
10090  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
10091  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
10092  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
10093  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
10094  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
10095  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
10096  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
10097  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
10098  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
10099  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
10100  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
10101  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
10102  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
10103  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
10104  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
10105  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
10106  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
10107  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
10108  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
10109  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
10110  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
10111  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
10112  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
10113  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
10114  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
10115  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
10116  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
10117  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
10118  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
10119  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
10120  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
10121  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
10122  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
10123  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
10124  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
10125  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
10126  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
10127  r1 = r1 + dr
10128  END DO
10129 
10130  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
10131  END SUBROUTINE
10132  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_3_2_exp_0 ( &
10133  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
10134  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
10135  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
10136  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
10137  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
10138  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
10139  r_pow_t, r_tmp, rr1_delta, rr2_delta
10140 
10141  REAL(kind=dp) :: c1, c2, c3
10142  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
10143  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
10144  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
10145  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
10146  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
10147  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
10148  & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3
10149 
10150 
10151  dr = lgth
10152  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
10153 
10154  s_r(:, :, :) = 0.0_dp
10155 
10156  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
10157 
10158  h_to_c_0_0 = sqrt(alpha/pi)
10159 
10160  h_to_c_0_1 = 0.0_dp
10161  h_to_c_1_1 = +2*alpha*h_to_c_0_0
10162  h_to_c_0_2 = -1*h_to_c_1_1
10163  h_to_c_1_2 = +2*alpha*h_to_c_0_1
10164  h_to_c_2_2 = +2*alpha*h_to_c_1_1
10165  h_to_c_0_3 = -1*h_to_c_1_2
10166  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
10167  h_to_c_2_3 = +2*alpha*h_to_c_1_2
10168  h_to_c_3_3 = +2*alpha*h_to_c_2_2
10169  h_to_c_0_4 = -1*h_to_c_1_3
10170  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
10171  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
10172  h_to_c_3_4 = +2*alpha*h_to_c_2_3
10173  h_to_c_4_4 = +2*alpha*h_to_c_3_3
10174  h_to_c_0_5 = -1*h_to_c_1_4
10175  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
10176  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
10177  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
10178  h_to_c_4_5 = +2*alpha*h_to_c_3_4
10179  h_to_c_5_5 = +2*alpha*h_to_c_4_4
10180  h_to_c_0_6 = -1*h_to_c_1_5
10181  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
10182  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
10183  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
10184  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
10185  h_to_c_5_6 = +2*alpha*h_to_c_4_5
10186  h_to_c_6_6 = +2*alpha*h_to_c_5_5
10187 
10188 
10189  rr1_delta = (ra - rb)/dr
10190 
10191  rr1_l = ceiling(-r_c(1) + rr1_delta)
10192  rr1_r = floor(r_c(1) + rr1_delta)
10193 
10194  r1 = rr1_l*dr
10195 
10196  alpha_e = zeta*zetb/(zeta + zetb)
10197 
10198  DO rr1 = rr1_l, rr1_r
10199  s_r_t_0 = 0.0_dp
10200  s_r_t2_0 = 0.0_dp
10201  s_r_t_1 = 0.0_dp
10202  s_r_t2_1 = 0.0_dp
10203  s_r_t_2 = 0.0_dp
10204  s_r_t2_2 = 0.0_dp
10205  s_r_t_3 = 0.0_dp
10206  s_r_t2_3 = 0.0_dp
10207  s_r_t_4 = 0.0_dp
10208  s_r_t2_4 = 0.0_dp
10209  s_r_t_5 = 0.0_dp
10210  s_r_t2_5 = 0.0_dp
10211  s_r_t_6 = 0.0_dp
10212  s_r_t2_6 = 0.0_dp
10213  r_tmp = r_offset + r1*zeta/(zeta + zetb)
10214  rr2_delta = -r_tmp/dr
10215 
10216  rr2_l = ceiling(-r_c(2) + rr2_delta)
10217  rr2_r = floor(r_c(2) + rr2_delta)
10218 
10219  r = r_tmp + (rr2_l)*dr
10220 
10221 
10222  DO rr2 = rr2_l, rr2_r
10223  r_pow_t = 1.0_dp
10224  exp2_rsq = exp(-alpha*r*r)
10225  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
10226  r_pow_t = r_pow_t*r
10227  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
10228  r_pow_t = r_pow_t*r
10229  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
10230  r_pow_t = r_pow_t*r
10231  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
10232  r_pow_t = r_pow_t*r
10233  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
10234  r_pow_t = r_pow_t*r
10235  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
10236  r_pow_t = r_pow_t*r
10237  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
10238 
10239  r = r + dr
10240  END DO
10241 
10242  ! C --> H
10243  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
10244  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
10245  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
10246  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
10247  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
10248  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
10249  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
10250  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
10251  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
10252  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
10253  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
10254  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
10255  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
10256  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
10257  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
10258  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
10259  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
10260  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
10261  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
10262  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
10263  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
10264  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
10265  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
10266  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
10267  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
10268  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
10269  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
10270  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
10271 
10272  ! H --> HH
10273  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
10274 
10275  c1 = 1.0_dp/(zeta + zetb)
10276  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
10277  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
10278 
10279  e_0_1_0 = zeta*( &
10280  +c2*e_0_0_0&
10281 
10282  )
10283  e_0_0_1 = zetb*( &
10284  +c3*e_0_0_0&
10285 
10286  )
10287  e_1_1_0 = zeta*( c1*e_0_0_0 &
10288 
10289 
10290  )
10291  e_1_0_1 = zetb*( c1*e_0_0_0 &
10292 
10293 
10294  )
10295  e_0_1_1 = zetb*( &
10296  +c3*e_0_1_0&
10297  +2*e_1_1_0 &
10298  )
10299  e_1_1_1 = zetb*( c1*e_0_1_0 &
10300  +c3*e_1_1_0&
10301 
10302  )
10303  e_2_1_1 = zetb*( c1*e_1_1_0 &
10304 
10305 
10306  )
10307  e_0_1_1 = zeta*( &
10308  +c2*e_0_0_1&
10309  +2*e_1_0_1 &
10310  )
10311  e_0_0_2 = zetb*( &
10312  +c3*e_0_0_1&
10313  +2*e_1_0_1 &
10314  -2*e_0_0_0)
10315  e_1_1_1 = zeta*( c1*e_0_0_1 &
10316  +c2*e_1_0_1&
10317 
10318  )
10319  e_1_0_2 = zetb*( c1*e_0_0_1 &
10320  +c3*e_1_0_1&
10321 
10322  )
10323  e_2_1_1 = zeta*( c1*e_1_0_1 &
10324 
10325 
10326  )
10327  e_2_0_2 = zetb*( c1*e_1_0_1 &
10328 
10329 
10330  )
10331  e_0_1_2 = zetb*( &
10332  +c3*e_0_1_1&
10333  +2*e_1_1_1 &
10334  -2*e_0_1_0)
10335  e_1_1_2 = zetb*( c1*e_0_1_1 &
10336  +c3*e_1_1_1&
10337  +4*e_2_1_1 &
10338  -2*e_1_1_0)
10339  e_2_1_2 = zetb*( c1*e_1_1_1 &
10340  +c3*e_2_1_1&
10341 
10342  )
10343  e_3_1_2 = zetb*( c1*e_2_1_1 &
10344 
10345 
10346  )
10347  e_0_1_2 = zeta*( &
10348  +c2*e_0_0_2&
10349  +2*e_1_0_2 &
10350  )
10351  e_0_0_3 = zetb*( &
10352  +c3*e_0_0_2&
10353  +2*e_1_0_2 &
10354  -4*e_0_0_1)
10355  e_1_1_2 = zeta*( c1*e_0_0_2 &
10356  +c2*e_1_0_2&
10357  +4*e_2_0_2 &
10358  )
10359  e_1_0_3 = zetb*( c1*e_0_0_2 &
10360  +c3*e_1_0_2&
10361  +4*e_2_0_2 &
10362  -4*e_1_0_1)
10363  e_2_1_2 = zeta*( c1*e_1_0_2 &
10364  +c2*e_2_0_2&
10365 
10366  )
10367  e_2_0_3 = zetb*( c1*e_1_0_2 &
10368  +c3*e_2_0_2&
10369 
10370  )
10371  e_3_1_2 = zeta*( c1*e_2_0_2 &
10372 
10373 
10374  )
10375  e_3_0_3 = zetb*( c1*e_2_0_2 &
10376 
10377 
10378  )
10379  e_0_1_3 = zetb*( &
10380  +c3*e_0_1_2&
10381  +2*e_1_1_2 &
10382  -4*e_0_1_1)
10383  e_1_1_3 = zetb*( c1*e_0_1_2 &
10384  +c3*e_1_1_2&
10385  +4*e_2_1_2 &
10386  -4*e_1_1_1)
10387  e_2_1_3 = zetb*( c1*e_1_1_2 &
10388  +c3*e_2_1_2&
10389  +6*e_3_1_2 &
10390  -4*e_2_1_1)
10391  e_3_1_3 = zetb*( c1*e_2_1_2 &
10392  +c3*e_3_1_2&
10393 
10394  )
10395  e_4_1_3 = zetb*( c1*e_3_1_2 &
10396 
10397 
10398  )
10399  e_0_1_3 = zeta*( &
10400  +c2*e_0_0_3&
10401  +2*e_1_0_3 &
10402  )
10403  e_1_1_3 = zeta*( c1*e_0_0_3 &
10404  +c2*e_1_0_3&
10405  +4*e_2_0_3 &
10406  )
10407  e_2_1_3 = zeta*( c1*e_1_0_3 &
10408  +c2*e_2_0_3&
10409  +6*e_3_0_3 &
10410  )
10411  e_3_1_3 = zeta*( c1*e_2_0_3 &
10412  +c2*e_3_0_3&
10413 
10414  )
10415  e_4_1_3 = zeta*( c1*e_3_0_3 &
10416 
10417 
10418  )
10419 
10420  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
10421  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
10422  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
10423  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
10424  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
10425  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
10426  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
10427  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
10428  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
10429  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
10430  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
10431  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
10432  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
10433  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
10434  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
10435  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
10436  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
10437  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
10438  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
10439  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
10440  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
10441  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
10442  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
10443  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
10444  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
10445  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
10446  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
10447  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
10448  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
10449  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
10450  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
10451  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
10452  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
10453  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
10454  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
10455  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
10456  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
10457  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
10458  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
10459  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
10460  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
10461  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
10462  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
10463  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
10464  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
10465  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
10466  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
10467  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
10468  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
10469  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
10470  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
10471  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
10472  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
10473  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
10474  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
10475  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
10476  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
10477  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
10478  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
10479  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
10480  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
10481  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
10482  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
10483  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
10484  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
10485  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
10486  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
10487  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
10488  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
10489  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
10490  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
10491  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
10492  r1 = r1 + dr
10493  END DO
10494 
10495  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
10496  END SUBROUTINE
10497  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_3_3_exp_0 ( &
10498  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
10499  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
10500  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
10501  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
10502  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
10503  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
10504  r_pow_t, r_tmp, rr1_delta, rr2_delta
10505 
10506  REAL(kind=dp) :: c1, c2, c3
10507  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
10508  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
10509  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
10510  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
10511  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
10512  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
10513  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
10514  & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3
10515 
10516 
10517  dr = lgth
10518  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
10519 
10520  s_r(:, :, :) = 0.0_dp
10521 
10522  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
10523 
10524  h_to_c_0_0 = sqrt(alpha/pi)
10525 
10526  h_to_c_0_1 = 0.0_dp
10527  h_to_c_1_1 = +2*alpha*h_to_c_0_0
10528  h_to_c_0_2 = -1*h_to_c_1_1
10529  h_to_c_1_2 = +2*alpha*h_to_c_0_1
10530  h_to_c_2_2 = +2*alpha*h_to_c_1_1
10531  h_to_c_0_3 = -1*h_to_c_1_2
10532  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
10533  h_to_c_2_3 = +2*alpha*h_to_c_1_2
10534  h_to_c_3_3 = +2*alpha*h_to_c_2_2
10535  h_to_c_0_4 = -1*h_to_c_1_3
10536  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
10537  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
10538  h_to_c_3_4 = +2*alpha*h_to_c_2_3
10539  h_to_c_4_4 = +2*alpha*h_to_c_3_3
10540  h_to_c_0_5 = -1*h_to_c_1_4
10541  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
10542  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
10543  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
10544  h_to_c_4_5 = +2*alpha*h_to_c_3_4
10545  h_to_c_5_5 = +2*alpha*h_to_c_4_4
10546  h_to_c_0_6 = -1*h_to_c_1_5
10547  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
10548  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
10549  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
10550  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
10551  h_to_c_5_6 = +2*alpha*h_to_c_4_5
10552  h_to_c_6_6 = +2*alpha*h_to_c_5_5
10553  h_to_c_0_7 = -1*h_to_c_1_6
10554  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
10555  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
10556  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
10557  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
10558  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
10559  h_to_c_6_7 = +2*alpha*h_to_c_5_6
10560  h_to_c_7_7 = +2*alpha*h_to_c_6_6
10561 
10562 
10563  rr1_delta = (ra - rb)/dr
10564 
10565  rr1_l = ceiling(-r_c(1) + rr1_delta)
10566  rr1_r = floor(r_c(1) + rr1_delta)
10567 
10568  r1 = rr1_l*dr
10569 
10570  alpha_e = zeta*zetb/(zeta + zetb)
10571 
10572  DO rr1 = rr1_l, rr1_r
10573  s_r_t_0 = 0.0_dp
10574  s_r_t2_0 = 0.0_dp
10575  s_r_t_1 = 0.0_dp
10576  s_r_t2_1 = 0.0_dp
10577  s_r_t_2 = 0.0_dp
10578  s_r_t2_2 = 0.0_dp
10579  s_r_t_3 = 0.0_dp
10580  s_r_t2_3 = 0.0_dp
10581  s_r_t_4 = 0.0_dp
10582  s_r_t2_4 = 0.0_dp
10583  s_r_t_5 = 0.0_dp
10584  s_r_t2_5 = 0.0_dp
10585  s_r_t_6 = 0.0_dp
10586  s_r_t2_6 = 0.0_dp
10587  s_r_t_7 = 0.0_dp
10588  s_r_t2_7 = 0.0_dp
10589  r_tmp = r_offset + r1*zeta/(zeta + zetb)
10590  rr2_delta = -r_tmp/dr
10591 
10592  rr2_l = ceiling(-r_c(2) + rr2_delta)
10593  rr2_r = floor(r_c(2) + rr2_delta)
10594 
10595  r = r_tmp + (rr2_l)*dr
10596 
10597 
10598  DO rr2 = rr2_l, rr2_r
10599  r_pow_t = 1.0_dp
10600  exp2_rsq = exp(-alpha*r*r)
10601  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
10602  r_pow_t = r_pow_t*r
10603  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
10604  r_pow_t = r_pow_t*r
10605  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
10606  r_pow_t = r_pow_t*r
10607  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
10608  r_pow_t = r_pow_t*r
10609  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
10610  r_pow_t = r_pow_t*r
10611  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
10612  r_pow_t = r_pow_t*r
10613  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
10614  r_pow_t = r_pow_t*r
10615  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
10616 
10617  r = r + dr
10618  END DO
10619 
10620  ! C --> H
10621  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
10622  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
10623  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
10624  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
10625  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
10626  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
10627  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
10628  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
10629  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
10630  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
10631  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
10632  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
10633  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
10634  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
10635  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
10636  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
10637  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
10638  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
10639  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
10640  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
10641  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
10642  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
10643  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
10644  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
10645  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
10646  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
10647  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
10648  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
10649  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
10650  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
10651  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
10652  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
10653  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
10654  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
10655  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
10656  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
10657 
10658  ! H --> HH
10659  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
10660 
10661  c1 = 1.0_dp/(zeta + zetb)
10662  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
10663  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
10664 
10665  e_0_1_0 = zeta*( &
10666  +c2*e_0_0_0&
10667 
10668  )
10669  e_0_0_1 = zetb*( &
10670  +c3*e_0_0_0&
10671 
10672  )
10673  e_1_1_0 = zeta*( c1*e_0_0_0 &
10674 
10675 
10676  )
10677  e_1_0_1 = zetb*( c1*e_0_0_0 &
10678 
10679 
10680  )
10681  e_0_1_1 = zetb*( &
10682  +c3*e_0_1_0&
10683  +2*e_1_1_0 &
10684  )
10685  e_1_1_1 = zetb*( c1*e_0_1_0 &
10686  +c3*e_1_1_0&
10687 
10688  )
10689  e_2_1_1 = zetb*( c1*e_1_1_0 &
10690 
10691 
10692  )
10693  e_0_1_1 = zeta*( &
10694  +c2*e_0_0_1&
10695  +2*e_1_0_1 &
10696  )
10697  e_0_0_2 = zetb*( &
10698  +c3*e_0_0_1&
10699  +2*e_1_0_1 &
10700  -2*e_0_0_0)
10701  e_1_1_1 = zeta*( c1*e_0_0_1 &
10702  +c2*e_1_0_1&
10703 
10704  )
10705  e_1_0_2 = zetb*( c1*e_0_0_1 &
10706  +c3*e_1_0_1&
10707 
10708  )
10709  e_2_1_1 = zeta*( c1*e_1_0_1 &
10710 
10711 
10712  )
10713  e_2_0_2 = zetb*( c1*e_1_0_1 &
10714 
10715 
10716  )
10717  e_0_1_2 = zetb*( &
10718  +c3*e_0_1_1&
10719  +2*e_1_1_1 &
10720  -2*e_0_1_0)
10721  e_1_1_2 = zetb*( c1*e_0_1_1 &
10722  +c3*e_1_1_1&
10723  +4*e_2_1_1 &
10724  -2*e_1_1_0)
10725  e_2_1_2 = zetb*( c1*e_1_1_1 &
10726  +c3*e_2_1_1&
10727 
10728  )
10729  e_3_1_2 = zetb*( c1*e_2_1_1 &
10730 
10731 
10732  )
10733  e_0_1_2 = zeta*( &
10734  +c2*e_0_0_2&
10735  +2*e_1_0_2 &
10736  )
10737  e_0_0_3 = zetb*( &
10738  +c3*e_0_0_2&
10739  +2*e_1_0_2 &
10740  -4*e_0_0_1)
10741  e_1_1_2 = zeta*( c1*e_0_0_2 &
10742  +c2*e_1_0_2&
10743  +4*e_2_0_2 &
10744  )
10745  e_1_0_3 = zetb*( c1*e_0_0_2 &
10746  +c3*e_1_0_2&
10747  +4*e_2_0_2 &
10748  -4*e_1_0_1)
10749  e_2_1_2 = zeta*( c1*e_1_0_2 &
10750  +c2*e_2_0_2&
10751 
10752  )
10753  e_2_0_3 = zetb*( c1*e_1_0_2 &
10754  +c3*e_2_0_2&
10755 
10756  )
10757  e_3_1_2 = zeta*( c1*e_2_0_2 &
10758 
10759 
10760  )
10761  e_3_0_3 = zetb*( c1*e_2_0_2 &
10762 
10763 
10764  )
10765  e_0_1_3 = zetb*( &
10766  +c3*e_0_1_2&
10767  +2*e_1_1_2 &
10768  -4*e_0_1_1)
10769  e_1_1_3 = zetb*( c1*e_0_1_2 &
10770  +c3*e_1_1_2&
10771  +4*e_2_1_2 &
10772  -4*e_1_1_1)
10773  e_2_1_3 = zetb*( c1*e_1_1_2 &
10774  +c3*e_2_1_2&
10775  +6*e_3_1_2 &
10776  -4*e_2_1_1)
10777  e_3_1_3 = zetb*( c1*e_2_1_2 &
10778  +c3*e_3_1_2&
10779 
10780  )
10781  e_4_1_3 = zetb*( c1*e_3_1_2 &
10782 
10783 
10784  )
10785  e_0_1_3 = zeta*( &
10786  +c2*e_0_0_3&
10787  +2*e_1_0_3 &
10788  )
10789  e_1_1_3 = zeta*( c1*e_0_0_3 &
10790  +c2*e_1_0_3&
10791  +4*e_2_0_3 &
10792  )
10793  e_2_1_3 = zeta*( c1*e_1_0_3 &
10794  +c2*e_2_0_3&
10795  +6*e_3_0_3 &
10796  )
10797  e_3_1_3 = zeta*( c1*e_2_0_3 &
10798  +c2*e_3_0_3&
10799 
10800  )
10801  e_4_1_3 = zeta*( c1*e_3_0_3 &
10802 
10803 
10804  )
10805 
10806  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
10807  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
10808  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
10809  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
10810  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
10811  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
10812  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
10813  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
10814  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
10815  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
10816  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
10817  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
10818  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
10819  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
10820  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
10821  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
10822  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
10823  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
10824  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
10825  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
10826  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
10827  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
10828  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
10829  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
10830  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
10831  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
10832  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
10833  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
10834  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
10835  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
10836  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
10837  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
10838  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
10839  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
10840  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
10841  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
10842  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
10843  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
10844  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
10845  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
10846  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
10847  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
10848  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
10849  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
10850  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
10851  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
10852  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
10853  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
10854  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
10855  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
10856  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
10857  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
10858  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
10859  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
10860  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
10861  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
10862  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
10863  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
10864  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
10865  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
10866  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
10867  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
10868  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
10869  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
10870  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
10871  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
10872  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
10873  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
10874  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
10875  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
10876  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
10877  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
10878  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
10879  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
10880  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
10881  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
10882  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
10883  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
10884  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
10885  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
10886  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
10887  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
10888  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
10889  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
10890  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
10891  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
10892  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
10893  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
10894  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
10895  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
10896  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
10897  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
10898  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
10899  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
10900  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
10901  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
10902  r1 = r1 + dr
10903  END DO
10904 
10905  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
10906  END SUBROUTINE
10907  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_3_4_exp_0 ( &
10908  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
10909  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
10910  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
10911  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
10912  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
10913  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
10914  r_pow_t, r_tmp, rr1_delta, rr2_delta
10915 
10916  REAL(kind=dp) :: c1, c2, c3
10917  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
10918  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
10919  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
10920  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
10921  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
10922  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
10923  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
10924  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
10925  & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3
10926 
10927 
10928  dr = lgth
10929  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
10930 
10931  s_r(:, :, :) = 0.0_dp
10932 
10933  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
10934 
10935  h_to_c_0_0 = sqrt(alpha/pi)
10936 
10937  h_to_c_0_1 = 0.0_dp
10938  h_to_c_1_1 = +2*alpha*h_to_c_0_0
10939  h_to_c_0_2 = -1*h_to_c_1_1
10940  h_to_c_1_2 = +2*alpha*h_to_c_0_1
10941  h_to_c_2_2 = +2*alpha*h_to_c_1_1
10942  h_to_c_0_3 = -1*h_to_c_1_2
10943  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
10944  h_to_c_2_3 = +2*alpha*h_to_c_1_2
10945  h_to_c_3_3 = +2*alpha*h_to_c_2_2
10946  h_to_c_0_4 = -1*h_to_c_1_3
10947  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
10948  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
10949  h_to_c_3_4 = +2*alpha*h_to_c_2_3
10950  h_to_c_4_4 = +2*alpha*h_to_c_3_3
10951  h_to_c_0_5 = -1*h_to_c_1_4
10952  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
10953  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
10954  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
10955  h_to_c_4_5 = +2*alpha*h_to_c_3_4
10956  h_to_c_5_5 = +2*alpha*h_to_c_4_4
10957  h_to_c_0_6 = -1*h_to_c_1_5
10958  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
10959  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
10960  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
10961  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
10962  h_to_c_5_6 = +2*alpha*h_to_c_4_5
10963  h_to_c_6_6 = +2*alpha*h_to_c_5_5
10964  h_to_c_0_7 = -1*h_to_c_1_6
10965  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
10966  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
10967  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
10968  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
10969  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
10970  h_to_c_6_7 = +2*alpha*h_to_c_5_6
10971  h_to_c_7_7 = +2*alpha*h_to_c_6_6
10972  h_to_c_0_8 = -1*h_to_c_1_7
10973  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
10974  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
10975  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
10976  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
10977  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
10978  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
10979  h_to_c_7_8 = +2*alpha*h_to_c_6_7
10980  h_to_c_8_8 = +2*alpha*h_to_c_7_7
10981 
10982 
10983  rr1_delta = (ra - rb)/dr
10984 
10985  rr1_l = ceiling(-r_c(1) + rr1_delta)
10986  rr1_r = floor(r_c(1) + rr1_delta)
10987 
10988  r1 = rr1_l*dr
10989 
10990  alpha_e = zeta*zetb/(zeta + zetb)
10991 
10992  DO rr1 = rr1_l, rr1_r
10993  s_r_t_0 = 0.0_dp
10994  s_r_t2_0 = 0.0_dp
10995  s_r_t_1 = 0.0_dp
10996  s_r_t2_1 = 0.0_dp
10997  s_r_t_2 = 0.0_dp
10998  s_r_t2_2 = 0.0_dp
10999  s_r_t_3 = 0.0_dp
11000  s_r_t2_3 = 0.0_dp
11001  s_r_t_4 = 0.0_dp
11002  s_r_t2_4 = 0.0_dp
11003  s_r_t_5 = 0.0_dp
11004  s_r_t2_5 = 0.0_dp
11005  s_r_t_6 = 0.0_dp
11006  s_r_t2_6 = 0.0_dp
11007  s_r_t_7 = 0.0_dp
11008  s_r_t2_7 = 0.0_dp
11009  s_r_t_8 = 0.0_dp
11010  s_r_t2_8 = 0.0_dp
11011  r_tmp = r_offset + r1*zeta/(zeta + zetb)
11012  rr2_delta = -r_tmp/dr
11013 
11014  rr2_l = ceiling(-r_c(2) + rr2_delta)
11015  rr2_r = floor(r_c(2) + rr2_delta)
11016 
11017  r = r_tmp + (rr2_l)*dr
11018 
11019 
11020  DO rr2 = rr2_l, rr2_r
11021  r_pow_t = 1.0_dp
11022  exp2_rsq = exp(-alpha*r*r)
11023  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
11024  r_pow_t = r_pow_t*r
11025  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
11026  r_pow_t = r_pow_t*r
11027  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
11028  r_pow_t = r_pow_t*r
11029  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
11030  r_pow_t = r_pow_t*r
11031  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
11032  r_pow_t = r_pow_t*r
11033  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
11034  r_pow_t = r_pow_t*r
11035  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
11036  r_pow_t = r_pow_t*r
11037  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
11038  r_pow_t = r_pow_t*r
11039  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
11040 
11041  r = r + dr
11042  END DO
11043 
11044  ! C --> H
11045  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
11046  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
11047  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
11048  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
11049  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
11050  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
11051  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
11052  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
11053  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
11054  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
11055  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
11056  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
11057  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
11058  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
11059  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
11060  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
11061  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
11062  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
11063  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
11064  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
11065  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
11066  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
11067  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
11068  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
11069  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
11070  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
11071  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
11072  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
11073  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
11074  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
11075  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
11076  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
11077  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
11078  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
11079  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
11080  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
11081  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
11082  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
11083  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
11084  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
11085  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
11086  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
11087  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
11088  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
11089  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
11090 
11091  ! H --> HH
11092  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
11093 
11094  c1 = 1.0_dp/(zeta + zetb)
11095  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
11096  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
11097 
11098  e_0_1_0 = zeta*( &
11099  +c2*e_0_0_0&
11100 
11101  )
11102  e_0_0_1 = zetb*( &
11103  +c3*e_0_0_0&
11104 
11105  )
11106  e_1_1_0 = zeta*( c1*e_0_0_0 &
11107 
11108 
11109  )
11110  e_1_0_1 = zetb*( c1*e_0_0_0 &
11111 
11112 
11113  )
11114  e_0_1_1 = zetb*( &
11115  +c3*e_0_1_0&
11116  +2*e_1_1_0 &
11117  )
11118  e_1_1_1 = zetb*( c1*e_0_1_0 &
11119  +c3*e_1_1_0&
11120 
11121  )
11122  e_2_1_1 = zetb*( c1*e_1_1_0 &
11123 
11124 
11125  )
11126  e_0_1_1 = zeta*( &
11127  +c2*e_0_0_1&
11128  +2*e_1_0_1 &
11129  )
11130  e_0_0_2 = zetb*( &
11131  +c3*e_0_0_1&
11132  +2*e_1_0_1 &
11133  -2*e_0_0_0)
11134  e_1_1_1 = zeta*( c1*e_0_0_1 &
11135  +c2*e_1_0_1&
11136 
11137  )
11138  e_1_0_2 = zetb*( c1*e_0_0_1 &
11139  +c3*e_1_0_1&
11140 
11141  )
11142  e_2_1_1 = zeta*( c1*e_1_0_1 &
11143 
11144 
11145  )
11146  e_2_0_2 = zetb*( c1*e_1_0_1 &
11147 
11148 
11149  )
11150  e_0_1_2 = zetb*( &
11151  +c3*e_0_1_1&
11152  +2*e_1_1_1 &
11153  -2*e_0_1_0)
11154  e_1_1_2 = zetb*( c1*e_0_1_1 &
11155  +c3*e_1_1_1&
11156  +4*e_2_1_1 &
11157  -2*e_1_1_0)
11158  e_2_1_2 = zetb*( c1*e_1_1_1 &
11159  +c3*e_2_1_1&
11160 
11161  )
11162  e_3_1_2 = zetb*( c1*e_2_1_1 &
11163 
11164 
11165  )
11166  e_0_1_2 = zeta*( &
11167  +c2*e_0_0_2&
11168  +2*e_1_0_2 &
11169  )
11170  e_0_0_3 = zetb*( &
11171  +c3*e_0_0_2&
11172  +2*e_1_0_2 &
11173  -4*e_0_0_1)
11174  e_1_1_2 = zeta*( c1*e_0_0_2 &
11175  +c2*e_1_0_2&
11176  +4*e_2_0_2 &
11177  )
11178  e_1_0_3 = zetb*( c1*e_0_0_2 &
11179  +c3*e_1_0_2&
11180  +4*e_2_0_2 &
11181  -4*e_1_0_1)
11182  e_2_1_2 = zeta*( c1*e_1_0_2 &
11183  +c2*e_2_0_2&
11184 
11185  )
11186  e_2_0_3 = zetb*( c1*e_1_0_2 &
11187  +c3*e_2_0_2&
11188 
11189  )
11190  e_3_1_2 = zeta*( c1*e_2_0_2 &
11191 
11192 
11193  )
11194  e_3_0_3 = zetb*( c1*e_2_0_2 &
11195 
11196 
11197  )
11198  e_0_1_3 = zetb*( &
11199  +c3*e_0_1_2&
11200  +2*e_1_1_2 &
11201  -4*e_0_1_1)
11202  e_1_1_3 = zetb*( c1*e_0_1_2 &
11203  +c3*e_1_1_2&
11204  +4*e_2_1_2 &
11205  -4*e_1_1_1)
11206  e_2_1_3 = zetb*( c1*e_1_1_2 &
11207  +c3*e_2_1_2&
11208  +6*e_3_1_2 &
11209  -4*e_2_1_1)
11210  e_3_1_3 = zetb*( c1*e_2_1_2 &
11211  +c3*e_3_1_2&
11212 
11213  )
11214  e_4_1_3 = zetb*( c1*e_3_1_2 &
11215 
11216 
11217  )
11218  e_0_1_3 = zeta*( &
11219  +c2*e_0_0_3&
11220  +2*e_1_0_3 &
11221  )
11222  e_1_1_3 = zeta*( c1*e_0_0_3 &
11223  +c2*e_1_0_3&
11224  +4*e_2_0_3 &
11225  )
11226  e_2_1_3 = zeta*( c1*e_1_0_3 &
11227  +c2*e_2_0_3&
11228  +6*e_3_0_3 &
11229  )
11230  e_3_1_3 = zeta*( c1*e_2_0_3 &
11231  +c2*e_3_0_3&
11232 
11233  )
11234  e_4_1_3 = zeta*( c1*e_3_0_3 &
11235 
11236 
11237  )
11238 
11239  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
11240  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
11241  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
11242  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
11243  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
11244  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
11245  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
11246  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
11247  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
11248  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
11249  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
11250  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
11251  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
11252  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
11253  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
11254  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
11255  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
11256  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
11257  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
11258  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
11259  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
11260  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
11261  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
11262  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
11263  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
11264  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
11265  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
11266  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
11267  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
11268  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
11269  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
11270  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
11271  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
11272  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
11273  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
11274  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
11275  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
11276  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
11277  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
11278  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
11279  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
11280  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
11281  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
11282  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
11283  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
11284  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
11285  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
11286  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
11287  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
11288  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
11289  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
11290  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
11291  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
11292  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
11293  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
11294  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
11295  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
11296  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
11297  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
11298  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
11299  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
11300  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
11301  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
11302  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
11303  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
11304  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
11305  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
11306  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
11307  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
11308  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
11309  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
11310  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
11311  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
11312  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
11313  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
11314  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
11315  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
11316  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
11317  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
11318  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
11319  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
11320  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
11321  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
11322  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
11323  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
11324  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
11325  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
11326  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
11327  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
11328  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
11329  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
11330  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
11331  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
11332  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
11333  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
11334  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
11335  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
11336  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
11337  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
11338  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
11339  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
11340  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
11341  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
11342  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
11343  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
11344  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
11345  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
11346  s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
11347  s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
11348  s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
11349  s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
11350  s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
11351  s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
11352  s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
11353  s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
11354  s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
11355  s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
11356  s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
11357  s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
11358  s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
11359  r1 = r1 + dr
11360  END DO
11361 
11362  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
11363  END SUBROUTINE
11364  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_4_0_exp_0 ( &
11365  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
11366  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
11367  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
11368  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
11369  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
11370  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
11371  r_pow_t, r_tmp, rr1_delta, rr2_delta
11372 
11373  REAL(kind=dp) :: c1, c2, c3
11374  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
11375  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
11376  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
11377  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
11378  & h_to_c_4_5, h_to_c_5_5
11379  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
11380  & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_0_4,&
11381  & e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4
11382 
11383 
11384  dr = lgth
11385  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
11386 
11387  s_r(:, :, :) = 0.0_dp
11388 
11389  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
11390 
11391  h_to_c_0_0 = sqrt(alpha/pi)
11392 
11393  h_to_c_0_1 = 0.0_dp
11394  h_to_c_1_1 = +2*alpha*h_to_c_0_0
11395  h_to_c_0_2 = -1*h_to_c_1_1
11396  h_to_c_1_2 = +2*alpha*h_to_c_0_1
11397  h_to_c_2_2 = +2*alpha*h_to_c_1_1
11398  h_to_c_0_3 = -1*h_to_c_1_2
11399  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
11400  h_to_c_2_3 = +2*alpha*h_to_c_1_2
11401  h_to_c_3_3 = +2*alpha*h_to_c_2_2
11402  h_to_c_0_4 = -1*h_to_c_1_3
11403  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
11404  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
11405  h_to_c_3_4 = +2*alpha*h_to_c_2_3
11406  h_to_c_4_4 = +2*alpha*h_to_c_3_3
11407  h_to_c_0_5 = -1*h_to_c_1_4
11408  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
11409  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
11410  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
11411  h_to_c_4_5 = +2*alpha*h_to_c_3_4
11412  h_to_c_5_5 = +2*alpha*h_to_c_4_4
11413 
11414 
11415  rr1_delta = (ra - rb)/dr
11416 
11417  rr1_l = ceiling(-r_c(1) + rr1_delta)
11418  rr1_r = floor(r_c(1) + rr1_delta)
11419 
11420  r1 = rr1_l*dr
11421 
11422  alpha_e = zeta*zetb/(zeta + zetb)
11423 
11424  DO rr1 = rr1_l, rr1_r
11425  s_r_t_0 = 0.0_dp
11426  s_r_t2_0 = 0.0_dp
11427  s_r_t_1 = 0.0_dp
11428  s_r_t2_1 = 0.0_dp
11429  s_r_t_2 = 0.0_dp
11430  s_r_t2_2 = 0.0_dp
11431  s_r_t_3 = 0.0_dp
11432  s_r_t2_3 = 0.0_dp
11433  s_r_t_4 = 0.0_dp
11434  s_r_t2_4 = 0.0_dp
11435  s_r_t_5 = 0.0_dp
11436  s_r_t2_5 = 0.0_dp
11437  r_tmp = r_offset + r1*zeta/(zeta + zetb)
11438  rr2_delta = -r_tmp/dr
11439 
11440  rr2_l = ceiling(-r_c(2) + rr2_delta)
11441  rr2_r = floor(r_c(2) + rr2_delta)
11442 
11443  r = r_tmp + (rr2_l)*dr
11444 
11445 
11446  DO rr2 = rr2_l, rr2_r
11447  r_pow_t = 1.0_dp
11448  exp2_rsq = exp(-alpha*r*r)
11449  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
11450  r_pow_t = r_pow_t*r
11451  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
11452  r_pow_t = r_pow_t*r
11453  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
11454  r_pow_t = r_pow_t*r
11455  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
11456  r_pow_t = r_pow_t*r
11457  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
11458  r_pow_t = r_pow_t*r
11459  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
11460 
11461  r = r + dr
11462  END DO
11463 
11464  ! C --> H
11465  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
11466  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
11467  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
11468  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
11469  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
11470  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
11471  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
11472  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
11473  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
11474  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
11475  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
11476  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
11477  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
11478  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
11479  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
11480  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
11481  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
11482  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
11483  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
11484  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
11485  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
11486 
11487  ! H --> HH
11488  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
11489 
11490  c1 = 1.0_dp/(zeta + zetb)
11491  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
11492  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
11493 
11494  e_0_1_0 = zeta*( &
11495  +c2*e_0_0_0&
11496 
11497  )
11498  e_0_0_1 = zetb*( &
11499  +c3*e_0_0_0&
11500 
11501  )
11502  e_1_1_0 = zeta*( c1*e_0_0_0 &
11503 
11504 
11505  )
11506  e_1_0_1 = zetb*( c1*e_0_0_0 &
11507 
11508 
11509  )
11510  e_0_1_1 = zetb*( &
11511  +c3*e_0_1_0&
11512  +2*e_1_1_0 &
11513  )
11514  e_1_1_1 = zetb*( c1*e_0_1_0 &
11515  +c3*e_1_1_0&
11516 
11517  )
11518  e_2_1_1 = zetb*( c1*e_1_1_0 &
11519 
11520 
11521  )
11522  e_0_1_1 = zeta*( &
11523  +c2*e_0_0_1&
11524  +2*e_1_0_1 &
11525  )
11526  e_0_0_2 = zetb*( &
11527  +c3*e_0_0_1&
11528  +2*e_1_0_1 &
11529  -2*e_0_0_0)
11530  e_1_1_1 = zeta*( c1*e_0_0_1 &
11531  +c2*e_1_0_1&
11532 
11533  )
11534  e_1_0_2 = zetb*( c1*e_0_0_1 &
11535  +c3*e_1_0_1&
11536 
11537  )
11538  e_2_1_1 = zeta*( c1*e_1_0_1 &
11539 
11540 
11541  )
11542  e_2_0_2 = zetb*( c1*e_1_0_1 &
11543 
11544 
11545  )
11546  e_0_1_2 = zetb*( &
11547  +c3*e_0_1_1&
11548  +2*e_1_1_1 &
11549  -2*e_0_1_0)
11550  e_1_1_2 = zetb*( c1*e_0_1_1 &
11551  +c3*e_1_1_1&
11552  +4*e_2_1_1 &
11553  -2*e_1_1_0)
11554  e_2_1_2 = zetb*( c1*e_1_1_1 &
11555  +c3*e_2_1_1&
11556 
11557  )
11558  e_3_1_2 = zetb*( c1*e_2_1_1 &
11559 
11560 
11561  )
11562  e_0_1_2 = zeta*( &
11563  +c2*e_0_0_2&
11564  +2*e_1_0_2 &
11565  )
11566  e_0_0_3 = zetb*( &
11567  +c3*e_0_0_2&
11568  +2*e_1_0_2 &
11569  -4*e_0_0_1)
11570  e_1_1_2 = zeta*( c1*e_0_0_2 &
11571  +c2*e_1_0_2&
11572  +4*e_2_0_2 &
11573  )
11574  e_1_0_3 = zetb*( c1*e_0_0_2 &
11575  +c3*e_1_0_2&
11576  +4*e_2_0_2 &
11577  -4*e_1_0_1)
11578  e_2_1_2 = zeta*( c1*e_1_0_2 &
11579  +c2*e_2_0_2&
11580 
11581  )
11582  e_2_0_3 = zetb*( c1*e_1_0_2 &
11583  +c3*e_2_0_2&
11584 
11585  )
11586  e_3_1_2 = zeta*( c1*e_2_0_2 &
11587 
11588 
11589  )
11590  e_3_0_3 = zetb*( c1*e_2_0_2 &
11591 
11592 
11593  )
11594  e_0_1_3 = zetb*( &
11595  +c3*e_0_1_2&
11596  +2*e_1_1_2 &
11597  -4*e_0_1_1)
11598  e_1_1_3 = zetb*( c1*e_0_1_2 &
11599  +c3*e_1_1_2&
11600  +4*e_2_1_2 &
11601  -4*e_1_1_1)
11602  e_2_1_3 = zetb*( c1*e_1_1_2 &
11603  +c3*e_2_1_2&
11604  +6*e_3_1_2 &
11605  -4*e_2_1_1)
11606  e_3_1_3 = zetb*( c1*e_2_1_2 &
11607  +c3*e_3_1_2&
11608 
11609  )
11610  e_4_1_3 = zetb*( c1*e_3_1_2 &
11611 
11612 
11613  )
11614  e_0_1_3 = zeta*( &
11615  +c2*e_0_0_3&
11616  +2*e_1_0_3 &
11617  )
11618  e_0_0_4 = zetb*( &
11619  +c3*e_0_0_3&
11620  +2*e_1_0_3 &
11621  -6*e_0_0_2)
11622  e_1_1_3 = zeta*( c1*e_0_0_3 &
11623  +c2*e_1_0_3&
11624  +4*e_2_0_3 &
11625  )
11626  e_1_0_4 = zetb*( c1*e_0_0_3 &
11627  +c3*e_1_0_3&
11628  +4*e_2_0_3 &
11629  -6*e_1_0_2)
11630  e_2_1_3 = zeta*( c1*e_1_0_3 &
11631  +c2*e_2_0_3&
11632  +6*e_3_0_3 &
11633  )
11634  e_2_0_4 = zetb*( c1*e_1_0_3 &
11635  +c3*e_2_0_3&
11636  +6*e_3_0_3 &
11637  -6*e_2_0_2)
11638  e_3_1_3 = zeta*( c1*e_2_0_3 &
11639  +c2*e_3_0_3&
11640 
11641  )
11642  e_3_0_4 = zetb*( c1*e_2_0_3 &
11643  +c3*e_3_0_3&
11644 
11645  )
11646  e_4_1_3 = zeta*( c1*e_3_0_3 &
11647 
11648 
11649  )
11650  e_4_0_4 = zetb*( c1*e_3_0_3 &
11651 
11652 
11653  )
11654  e_0_1_4 = zetb*( &
11655  +c3*e_0_1_3&
11656  +2*e_1_1_3 &
11657  -6*e_0_1_2)
11658  e_1_1_4 = zetb*( c1*e_0_1_3 &
11659  +c3*e_1_1_3&
11660  +4*e_2_1_3 &
11661  -6*e_1_1_2)
11662  e_2_1_4 = zetb*( c1*e_1_1_3 &
11663  +c3*e_2_1_3&
11664  +6*e_3_1_3 &
11665  -6*e_2_1_2)
11666  e_3_1_4 = zetb*( c1*e_2_1_3 &
11667  +c3*e_3_1_3&
11668  +8*e_4_1_3 &
11669  -6*e_3_1_2)
11670  e_4_1_4 = zetb*( c1*e_3_1_3 &
11671  +c3*e_4_1_3&
11672 
11673  )
11674  e_5_1_4 = zetb*( c1*e_4_1_3 &
11675 
11676 
11677  )
11678  e_0_1_4 = zeta*( &
11679  +c2*e_0_0_4&
11680  +2*e_1_0_4 &
11681  )
11682  e_1_1_4 = zeta*( c1*e_0_0_4 &
11683  +c2*e_1_0_4&
11684  +4*e_2_0_4 &
11685  )
11686  e_2_1_4 = zeta*( c1*e_1_0_4 &
11687  +c2*e_2_0_4&
11688  +6*e_3_0_4 &
11689  )
11690  e_3_1_4 = zeta*( c1*e_2_0_4 &
11691  +c2*e_3_0_4&
11692  +8*e_4_0_4 &
11693  )
11694  e_4_1_4 = zeta*( c1*e_3_0_4 &
11695  +c2*e_4_0_4&
11696 
11697  )
11698  e_5_1_4 = zeta*( c1*e_4_0_4 &
11699 
11700 
11701  )
11702 
11703  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
11704  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
11705  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
11706  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
11707  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
11708  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
11709  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
11710  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
11711  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
11712  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
11713  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
11714  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
11715  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
11716  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
11717  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
11718  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
11719  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
11720  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
11721  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
11722  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
11723  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
11724  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
11725  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
11726  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
11727  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
11728  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
11729  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
11730  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
11731  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
11732  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
11733  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
11734  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
11735  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
11736  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
11737  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
11738  r1 = r1 + dr
11739  END DO
11740 
11741  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
11742  END SUBROUTINE
11743  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_4_1_exp_0 ( &
11744  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
11745  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
11746  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
11747  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
11748  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
11749  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
11750  r_pow_t, r_tmp, rr1_delta, rr2_delta
11751 
11752  REAL(kind=dp) :: c1, c2, c3
11753  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
11754  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
11755  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
11756  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
11757  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
11758  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
11759  & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_0_4,&
11760  & e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4
11761 
11762 
11763  dr = lgth
11764  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
11765 
11766  s_r(:, :, :) = 0.0_dp
11767 
11768  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
11769 
11770  h_to_c_0_0 = sqrt(alpha/pi)
11771 
11772  h_to_c_0_1 = 0.0_dp
11773  h_to_c_1_1 = +2*alpha*h_to_c_0_0
11774  h_to_c_0_2 = -1*h_to_c_1_1
11775  h_to_c_1_2 = +2*alpha*h_to_c_0_1
11776  h_to_c_2_2 = +2*alpha*h_to_c_1_1
11777  h_to_c_0_3 = -1*h_to_c_1_2
11778  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
11779  h_to_c_2_3 = +2*alpha*h_to_c_1_2
11780  h_to_c_3_3 = +2*alpha*h_to_c_2_2
11781  h_to_c_0_4 = -1*h_to_c_1_3
11782  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
11783  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
11784  h_to_c_3_4 = +2*alpha*h_to_c_2_3
11785  h_to_c_4_4 = +2*alpha*h_to_c_3_3
11786  h_to_c_0_5 = -1*h_to_c_1_4
11787  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
11788  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
11789  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
11790  h_to_c_4_5 = +2*alpha*h_to_c_3_4
11791  h_to_c_5_5 = +2*alpha*h_to_c_4_4
11792  h_to_c_0_6 = -1*h_to_c_1_5
11793  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
11794  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
11795  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
11796  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
11797  h_to_c_5_6 = +2*alpha*h_to_c_4_5
11798  h_to_c_6_6 = +2*alpha*h_to_c_5_5
11799 
11800 
11801  rr1_delta = (ra - rb)/dr
11802 
11803  rr1_l = ceiling(-r_c(1) + rr1_delta)
11804  rr1_r = floor(r_c(1) + rr1_delta)
11805 
11806  r1 = rr1_l*dr
11807 
11808  alpha_e = zeta*zetb/(zeta + zetb)
11809 
11810  DO rr1 = rr1_l, rr1_r
11811  s_r_t_0 = 0.0_dp
11812  s_r_t2_0 = 0.0_dp
11813  s_r_t_1 = 0.0_dp
11814  s_r_t2_1 = 0.0_dp
11815  s_r_t_2 = 0.0_dp
11816  s_r_t2_2 = 0.0_dp
11817  s_r_t_3 = 0.0_dp
11818  s_r_t2_3 = 0.0_dp
11819  s_r_t_4 = 0.0_dp
11820  s_r_t2_4 = 0.0_dp
11821  s_r_t_5 = 0.0_dp
11822  s_r_t2_5 = 0.0_dp
11823  s_r_t_6 = 0.0_dp
11824  s_r_t2_6 = 0.0_dp
11825  r_tmp = r_offset + r1*zeta/(zeta + zetb)
11826  rr2_delta = -r_tmp/dr
11827 
11828  rr2_l = ceiling(-r_c(2) + rr2_delta)
11829  rr2_r = floor(r_c(2) + rr2_delta)
11830 
11831  r = r_tmp + (rr2_l)*dr
11832 
11833 
11834  DO rr2 = rr2_l, rr2_r
11835  r_pow_t = 1.0_dp
11836  exp2_rsq = exp(-alpha*r*r)
11837  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
11838  r_pow_t = r_pow_t*r
11839  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
11840  r_pow_t = r_pow_t*r
11841  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
11842  r_pow_t = r_pow_t*r
11843  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
11844  r_pow_t = r_pow_t*r
11845  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
11846  r_pow_t = r_pow_t*r
11847  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
11848  r_pow_t = r_pow_t*r
11849  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
11850 
11851  r = r + dr
11852  END DO
11853 
11854  ! C --> H
11855  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
11856  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
11857  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
11858  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
11859  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
11860  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
11861  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
11862  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
11863  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
11864  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
11865  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
11866  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
11867  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
11868  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
11869  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
11870  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
11871  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
11872  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
11873  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
11874  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
11875  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
11876  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
11877  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
11878  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
11879  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
11880  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
11881  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
11882  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
11883 
11884  ! H --> HH
11885  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
11886 
11887  c1 = 1.0_dp/(zeta + zetb)
11888  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
11889  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
11890 
11891  e_0_1_0 = zeta*( &
11892  +c2*e_0_0_0&
11893 
11894  )
11895  e_0_0_1 = zetb*( &
11896  +c3*e_0_0_0&
11897 
11898  )
11899  e_1_1_0 = zeta*( c1*e_0_0_0 &
11900 
11901 
11902  )
11903  e_1_0_1 = zetb*( c1*e_0_0_0 &
11904 
11905 
11906  )
11907  e_0_1_1 = zetb*( &
11908  +c3*e_0_1_0&
11909  +2*e_1_1_0 &
11910  )
11911  e_1_1_1 = zetb*( c1*e_0_1_0 &
11912  +c3*e_1_1_0&
11913 
11914  )
11915  e_2_1_1 = zetb*( c1*e_1_1_0 &
11916 
11917 
11918  )
11919  e_0_1_1 = zeta*( &
11920  +c2*e_0_0_1&
11921  +2*e_1_0_1 &
11922  )
11923  e_0_0_2 = zetb*( &
11924  +c3*e_0_0_1&
11925  +2*e_1_0_1 &
11926  -2*e_0_0_0)
11927  e_1_1_1 = zeta*( c1*e_0_0_1 &
11928  +c2*e_1_0_1&
11929 
11930  )
11931  e_1_0_2 = zetb*( c1*e_0_0_1 &
11932  +c3*e_1_0_1&
11933 
11934  )
11935  e_2_1_1 = zeta*( c1*e_1_0_1 &
11936 
11937 
11938  )
11939  e_2_0_2 = zetb*( c1*e_1_0_1 &
11940 
11941 
11942  )
11943  e_0_1_2 = zetb*( &
11944  +c3*e_0_1_1&
11945  +2*e_1_1_1 &
11946  -2*e_0_1_0)
11947  e_1_1_2 = zetb*( c1*e_0_1_1 &
11948  +c3*e_1_1_1&
11949  +4*e_2_1_1 &
11950  -2*e_1_1_0)
11951  e_2_1_2 = zetb*( c1*e_1_1_1 &
11952  +c3*e_2_1_1&
11953 
11954  )
11955  e_3_1_2 = zetb*( c1*e_2_1_1 &
11956 
11957 
11958  )
11959  e_0_1_2 = zeta*( &
11960  +c2*e_0_0_2&
11961  +2*e_1_0_2 &
11962  )
11963  e_0_0_3 = zetb*( &
11964  +c3*e_0_0_2&
11965  +2*e_1_0_2 &
11966  -4*e_0_0_1)
11967  e_1_1_2 = zeta*( c1*e_0_0_2 &
11968  +c2*e_1_0_2&
11969  +4*e_2_0_2 &
11970  )
11971  e_1_0_3 = zetb*( c1*e_0_0_2 &
11972  +c3*e_1_0_2&
11973  +4*e_2_0_2 &
11974  -4*e_1_0_1)
11975  e_2_1_2 = zeta*( c1*e_1_0_2 &
11976  +c2*e_2_0_2&
11977 
11978  )
11979  e_2_0_3 = zetb*( c1*e_1_0_2 &
11980  +c3*e_2_0_2&
11981 
11982  )
11983  e_3_1_2 = zeta*( c1*e_2_0_2 &
11984 
11985 
11986  )
11987  e_3_0_3 = zetb*( c1*e_2_0_2 &
11988 
11989 
11990  )
11991  e_0_1_3 = zetb*( &
11992  +c3*e_0_1_2&
11993  +2*e_1_1_2 &
11994  -4*e_0_1_1)
11995  e_1_1_3 = zetb*( c1*e_0_1_2 &
11996  +c3*e_1_1_2&
11997  +4*e_2_1_2 &
11998  -4*e_1_1_1)
11999  e_2_1_3 = zetb*( c1*e_1_1_2 &
12000  +c3*e_2_1_2&
12001  +6*e_3_1_2 &
12002  -4*e_2_1_1)
12003  e_3_1_3 = zetb*( c1*e_2_1_2 &
12004  +c3*e_3_1_2&
12005 
12006  )
12007  e_4_1_3 = zetb*( c1*e_3_1_2 &
12008 
12009 
12010  )
12011  e_0_1_3 = zeta*( &
12012  +c2*e_0_0_3&
12013  +2*e_1_0_3 &
12014  )
12015  e_0_0_4 = zetb*( &
12016  +c3*e_0_0_3&
12017  +2*e_1_0_3 &
12018  -6*e_0_0_2)
12019  e_1_1_3 = zeta*( c1*e_0_0_3 &
12020  +c2*e_1_0_3&
12021  +4*e_2_0_3 &
12022  )
12023  e_1_0_4 = zetb*( c1*e_0_0_3 &
12024  +c3*e_1_0_3&
12025  +4*e_2_0_3 &
12026  -6*e_1_0_2)
12027  e_2_1_3 = zeta*( c1*e_1_0_3 &
12028  +c2*e_2_0_3&
12029  +6*e_3_0_3 &
12030  )
12031  e_2_0_4 = zetb*( c1*e_1_0_3 &
12032  +c3*e_2_0_3&
12033  +6*e_3_0_3 &
12034  -6*e_2_0_2)
12035  e_3_1_3 = zeta*( c1*e_2_0_3 &
12036  +c2*e_3_0_3&
12037 
12038  )
12039  e_3_0_4 = zetb*( c1*e_2_0_3 &
12040  +c3*e_3_0_3&
12041 
12042  )
12043  e_4_1_3 = zeta*( c1*e_3_0_3 &
12044 
12045 
12046  )
12047  e_4_0_4 = zetb*( c1*e_3_0_3 &
12048 
12049 
12050  )
12051  e_0_1_4 = zetb*( &
12052  +c3*e_0_1_3&
12053  +2*e_1_1_3 &
12054  -6*e_0_1_2)
12055  e_1_1_4 = zetb*( c1*e_0_1_3 &
12056  +c3*e_1_1_3&
12057  +4*e_2_1_3 &
12058  -6*e_1_1_2)
12059  e_2_1_4 = zetb*( c1*e_1_1_3 &
12060  +c3*e_2_1_3&
12061  +6*e_3_1_3 &
12062  -6*e_2_1_2)
12063  e_3_1_4 = zetb*( c1*e_2_1_3 &
12064  +c3*e_3_1_3&
12065  +8*e_4_1_3 &
12066  -6*e_3_1_2)
12067  e_4_1_4 = zetb*( c1*e_3_1_3 &
12068  +c3*e_4_1_3&
12069 
12070  )
12071  e_5_1_4 = zetb*( c1*e_4_1_3 &
12072 
12073 
12074  )
12075  e_0_1_4 = zeta*( &
12076  +c2*e_0_0_4&
12077  +2*e_1_0_4 &
12078  )
12079  e_1_1_4 = zeta*( c1*e_0_0_4 &
12080  +c2*e_1_0_4&
12081  +4*e_2_0_4 &
12082  )
12083  e_2_1_4 = zeta*( c1*e_1_0_4 &
12084  +c2*e_2_0_4&
12085  +6*e_3_0_4 &
12086  )
12087  e_3_1_4 = zeta*( c1*e_2_0_4 &
12088  +c2*e_3_0_4&
12089  +8*e_4_0_4 &
12090  )
12091  e_4_1_4 = zeta*( c1*e_3_0_4 &
12092  +c2*e_4_0_4&
12093 
12094  )
12095  e_5_1_4 = zeta*( c1*e_4_0_4 &
12096 
12097 
12098  )
12099 
12100  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
12101  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
12102  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
12103  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
12104  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
12105  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
12106  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
12107  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
12108  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
12109  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
12110  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
12111  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
12112  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
12113  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
12114  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
12115  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
12116  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
12117  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
12118  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
12119  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
12120  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
12121  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
12122  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
12123  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
12124  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
12125  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
12126  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
12127  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
12128  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
12129  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
12130  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
12131  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
12132  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
12133  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
12134  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
12135  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
12136  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
12137  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
12138  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
12139  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
12140  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
12141  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
12142  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
12143  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
12144  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
12145  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
12146  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
12147  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
12148  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
12149  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
12150  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
12151  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
12152  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
12153  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
12154  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
12155  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
12156  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
12157  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
12158  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
12159  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
12160  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
12161  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
12162  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
12163  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
12164  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
12165  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
12166  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
12167  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
12168  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
12169  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
12170  r1 = r1 + dr
12171  END DO
12172 
12173  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
12174  END SUBROUTINE
12175  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_4_2_exp_0 ( &
12176  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
12177  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
12178  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
12179  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
12180  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
12181  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
12182  r_pow_t, r_tmp, rr1_delta, rr2_delta
12183 
12184  REAL(kind=dp) :: c1, c2, c3
12185  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
12186  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
12187  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
12188  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
12189  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
12190  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
12191  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
12192  & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_0_4,&
12193  & e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4
12194 
12195 
12196  dr = lgth
12197  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
12198 
12199  s_r(:, :, :) = 0.0_dp
12200 
12201  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
12202 
12203  h_to_c_0_0 = sqrt(alpha/pi)
12204 
12205  h_to_c_0_1 = 0.0_dp
12206  h_to_c_1_1 = +2*alpha*h_to_c_0_0
12207  h_to_c_0_2 = -1*h_to_c_1_1
12208  h_to_c_1_2 = +2*alpha*h_to_c_0_1
12209  h_to_c_2_2 = +2*alpha*h_to_c_1_1
12210  h_to_c_0_3 = -1*h_to_c_1_2
12211  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
12212  h_to_c_2_3 = +2*alpha*h_to_c_1_2
12213  h_to_c_3_3 = +2*alpha*h_to_c_2_2
12214  h_to_c_0_4 = -1*h_to_c_1_3
12215  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
12216  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
12217  h_to_c_3_4 = +2*alpha*h_to_c_2_3
12218  h_to_c_4_4 = +2*alpha*h_to_c_3_3
12219  h_to_c_0_5 = -1*h_to_c_1_4
12220  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
12221  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
12222  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
12223  h_to_c_4_5 = +2*alpha*h_to_c_3_4
12224  h_to_c_5_5 = +2*alpha*h_to_c_4_4
12225  h_to_c_0_6 = -1*h_to_c_1_5
12226  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
12227  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
12228  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
12229  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
12230  h_to_c_5_6 = +2*alpha*h_to_c_4_5
12231  h_to_c_6_6 = +2*alpha*h_to_c_5_5
12232  h_to_c_0_7 = -1*h_to_c_1_6
12233  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
12234  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
12235  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
12236  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
12237  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
12238  h_to_c_6_7 = +2*alpha*h_to_c_5_6
12239  h_to_c_7_7 = +2*alpha*h_to_c_6_6
12240 
12241 
12242  rr1_delta = (ra - rb)/dr
12243 
12244  rr1_l = ceiling(-r_c(1) + rr1_delta)
12245  rr1_r = floor(r_c(1) + rr1_delta)
12246 
12247  r1 = rr1_l*dr
12248 
12249  alpha_e = zeta*zetb/(zeta + zetb)
12250 
12251  DO rr1 = rr1_l, rr1_r
12252  s_r_t_0 = 0.0_dp
12253  s_r_t2_0 = 0.0_dp
12254  s_r_t_1 = 0.0_dp
12255  s_r_t2_1 = 0.0_dp
12256  s_r_t_2 = 0.0_dp
12257  s_r_t2_2 = 0.0_dp
12258  s_r_t_3 = 0.0_dp
12259  s_r_t2_3 = 0.0_dp
12260  s_r_t_4 = 0.0_dp
12261  s_r_t2_4 = 0.0_dp
12262  s_r_t_5 = 0.0_dp
12263  s_r_t2_5 = 0.0_dp
12264  s_r_t_6 = 0.0_dp
12265  s_r_t2_6 = 0.0_dp
12266  s_r_t_7 = 0.0_dp
12267  s_r_t2_7 = 0.0_dp
12268  r_tmp = r_offset + r1*zeta/(zeta + zetb)
12269  rr2_delta = -r_tmp/dr
12270 
12271  rr2_l = ceiling(-r_c(2) + rr2_delta)
12272  rr2_r = floor(r_c(2) + rr2_delta)
12273 
12274  r = r_tmp + (rr2_l)*dr
12275 
12276 
12277  DO rr2 = rr2_l, rr2_r
12278  r_pow_t = 1.0_dp
12279  exp2_rsq = exp(-alpha*r*r)
12280  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
12281  r_pow_t = r_pow_t*r
12282  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
12283  r_pow_t = r_pow_t*r
12284  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
12285  r_pow_t = r_pow_t*r
12286  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
12287  r_pow_t = r_pow_t*r
12288  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
12289  r_pow_t = r_pow_t*r
12290  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
12291  r_pow_t = r_pow_t*r
12292  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
12293  r_pow_t = r_pow_t*r
12294  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
12295 
12296  r = r + dr
12297  END DO
12298 
12299  ! C --> H
12300  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
12301  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
12302  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
12303  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
12304  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
12305  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
12306  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
12307  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
12308  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
12309  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
12310  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
12311  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
12312  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
12313  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
12314  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
12315  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
12316  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
12317  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
12318  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
12319  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
12320  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
12321  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
12322  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
12323  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
12324  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
12325  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
12326  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
12327  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
12328  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
12329  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
12330  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
12331  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
12332  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
12333  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
12334  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
12335  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
12336 
12337  ! H --> HH
12338  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
12339 
12340  c1 = 1.0_dp/(zeta + zetb)
12341  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
12342  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
12343 
12344  e_0_1_0 = zeta*( &
12345  +c2*e_0_0_0&
12346 
12347  )
12348  e_0_0_1 = zetb*( &
12349  +c3*e_0_0_0&
12350 
12351  )
12352  e_1_1_0 = zeta*( c1*e_0_0_0 &
12353 
12354 
12355  )
12356  e_1_0_1 = zetb*( c1*e_0_0_0 &
12357 
12358 
12359  )
12360  e_0_1_1 = zetb*( &
12361  +c3*e_0_1_0&
12362  +2*e_1_1_0 &
12363  )
12364  e_1_1_1 = zetb*( c1*e_0_1_0 &
12365  +c3*e_1_1_0&
12366 
12367  )
12368  e_2_1_1 = zetb*( c1*e_1_1_0 &
12369 
12370 
12371  )
12372  e_0_1_1 = zeta*( &
12373  +c2*e_0_0_1&
12374  +2*e_1_0_1 &
12375  )
12376  e_0_0_2 = zetb*( &
12377  +c3*e_0_0_1&
12378  +2*e_1_0_1 &
12379  -2*e_0_0_0)
12380  e_1_1_1 = zeta*( c1*e_0_0_1 &
12381  +c2*e_1_0_1&
12382 
12383  )
12384  e_1_0_2 = zetb*( c1*e_0_0_1 &
12385  +c3*e_1_0_1&
12386 
12387  )
12388  e_2_1_1 = zeta*( c1*e_1_0_1 &
12389 
12390 
12391  )
12392  e_2_0_2 = zetb*( c1*e_1_0_1 &
12393 
12394 
12395  )
12396  e_0_1_2 = zetb*( &
12397  +c3*e_0_1_1&
12398  +2*e_1_1_1 &
12399  -2*e_0_1_0)
12400  e_1_1_2 = zetb*( c1*e_0_1_1 &
12401  +c3*e_1_1_1&
12402  +4*e_2_1_1 &
12403  -2*e_1_1_0)
12404  e_2_1_2 = zetb*( c1*e_1_1_1 &
12405  +c3*e_2_1_1&
12406 
12407  )
12408  e_3_1_2 = zetb*( c1*e_2_1_1 &
12409 
12410 
12411  )
12412  e_0_1_2 = zeta*( &
12413  +c2*e_0_0_2&
12414  +2*e_1_0_2 &
12415  )
12416  e_0_0_3 = zetb*( &
12417  +c3*e_0_0_2&
12418  +2*e_1_0_2 &
12419  -4*e_0_0_1)
12420  e_1_1_2 = zeta*( c1*e_0_0_2 &
12421  +c2*e_1_0_2&
12422  +4*e_2_0_2 &
12423  )
12424  e_1_0_3 = zetb*( c1*e_0_0_2 &
12425  +c3*e_1_0_2&
12426  +4*e_2_0_2 &
12427  -4*e_1_0_1)
12428  e_2_1_2 = zeta*( c1*e_1_0_2 &
12429  +c2*e_2_0_2&
12430 
12431  )
12432  e_2_0_3 = zetb*( c1*e_1_0_2 &
12433  +c3*e_2_0_2&
12434 
12435  )
12436  e_3_1_2 = zeta*( c1*e_2_0_2 &
12437 
12438 
12439  )
12440  e_3_0_3 = zetb*( c1*e_2_0_2 &
12441 
12442 
12443  )
12444  e_0_1_3 = zetb*( &
12445  +c3*e_0_1_2&
12446  +2*e_1_1_2 &
12447  -4*e_0_1_1)
12448  e_1_1_3 = zetb*( c1*e_0_1_2 &
12449  +c3*e_1_1_2&
12450  +4*e_2_1_2 &
12451  -4*e_1_1_1)
12452  e_2_1_3 = zetb*( c1*e_1_1_2 &
12453  +c3*e_2_1_2&
12454  +6*e_3_1_2 &
12455  -4*e_2_1_1)
12456  e_3_1_3 = zetb*( c1*e_2_1_2 &
12457  +c3*e_3_1_2&
12458 
12459  )
12460  e_4_1_3 = zetb*( c1*e_3_1_2 &
12461 
12462 
12463  )
12464  e_0_1_3 = zeta*( &
12465  +c2*e_0_0_3&
12466  +2*e_1_0_3 &
12467  )
12468  e_0_0_4 = zetb*( &
12469  +c3*e_0_0_3&
12470  +2*e_1_0_3 &
12471  -6*e_0_0_2)
12472  e_1_1_3 = zeta*( c1*e_0_0_3 &
12473  +c2*e_1_0_3&
12474  +4*e_2_0_3 &
12475  )
12476  e_1_0_4 = zetb*( c1*e_0_0_3 &
12477  +c3*e_1_0_3&
12478  +4*e_2_0_3 &
12479  -6*e_1_0_2)
12480  e_2_1_3 = zeta*( c1*e_1_0_3 &
12481  +c2*e_2_0_3&
12482  +6*e_3_0_3 &
12483  )
12484  e_2_0_4 = zetb*( c1*e_1_0_3 &
12485  +c3*e_2_0_3&
12486  +6*e_3_0_3 &
12487  -6*e_2_0_2)
12488  e_3_1_3 = zeta*( c1*e_2_0_3 &
12489  +c2*e_3_0_3&
12490 
12491  )
12492  e_3_0_4 = zetb*( c1*e_2_0_3 &
12493  +c3*e_3_0_3&
12494 
12495  )
12496  e_4_1_3 = zeta*( c1*e_3_0_3 &
12497 
12498 
12499  )
12500  e_4_0_4 = zetb*( c1*e_3_0_3 &
12501 
12502 
12503  )
12504  e_0_1_4 = zetb*( &
12505  +c3*e_0_1_3&
12506  +2*e_1_1_3 &
12507  -6*e_0_1_2)
12508  e_1_1_4 = zetb*( c1*e_0_1_3 &
12509  +c3*e_1_1_3&
12510  +4*e_2_1_3 &
12511  -6*e_1_1_2)
12512  e_2_1_4 = zetb*( c1*e_1_1_3 &
12513  +c3*e_2_1_3&
12514  +6*e_3_1_3 &
12515  -6*e_2_1_2)
12516  e_3_1_4 = zetb*( c1*e_2_1_3 &
12517  +c3*e_3_1_3&
12518  +8*e_4_1_3 &
12519  -6*e_3_1_2)
12520  e_4_1_4 = zetb*( c1*e_3_1_3 &
12521  +c3*e_4_1_3&
12522 
12523  )
12524  e_5_1_4 = zetb*( c1*e_4_1_3 &
12525 
12526 
12527  )
12528  e_0_1_4 = zeta*( &
12529  +c2*e_0_0_4&
12530  +2*e_1_0_4 &
12531  )
12532  e_1_1_4 = zeta*( c1*e_0_0_4 &
12533  +c2*e_1_0_4&
12534  +4*e_2_0_4 &
12535  )
12536  e_2_1_4 = zeta*( c1*e_1_0_4 &
12537  +c2*e_2_0_4&
12538  +6*e_3_0_4 &
12539  )
12540  e_3_1_4 = zeta*( c1*e_2_0_4 &
12541  +c2*e_3_0_4&
12542  +8*e_4_0_4 &
12543  )
12544  e_4_1_4 = zeta*( c1*e_3_0_4 &
12545  +c2*e_4_0_4&
12546 
12547  )
12548  e_5_1_4 = zeta*( c1*e_4_0_4 &
12549 
12550 
12551  )
12552 
12553  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
12554  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
12555  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
12556  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
12557  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
12558  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
12559  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
12560  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
12561  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
12562  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
12563  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
12564  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
12565  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
12566  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
12567  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
12568  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
12569  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
12570  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
12571  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
12572  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
12573  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
12574  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
12575  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
12576  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
12577  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
12578  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
12579  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
12580  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
12581  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
12582  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
12583  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
12584  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
12585  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
12586  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
12587  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
12588  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
12589  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
12590  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
12591  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
12592  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
12593  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
12594  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
12595  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
12596  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
12597  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
12598  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
12599  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
12600  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
12601  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
12602  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
12603  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
12604  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
12605  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
12606  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
12607  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
12608  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
12609  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
12610  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
12611  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
12612  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
12613  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
12614  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
12615  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
12616  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
12617  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
12618  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
12619  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
12620  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
12621  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
12622  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
12623  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
12624  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
12625  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
12626  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
12627  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
12628  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
12629  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
12630  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
12631  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
12632  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
12633  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
12634  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
12635  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
12636  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
12637  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
12638  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
12639  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
12640  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
12641  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
12642  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
12643  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
12644  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
12645  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
12646  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
12647  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
12648  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
12649  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
12650  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
12651  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
12652  s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
12653  s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
12654  s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
12655  s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
12656  s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
12657  s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
12658  r1 = r1 + dr
12659  END DO
12660 
12661  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
12662  END SUBROUTINE
12663  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_4_3_exp_0 ( &
12664  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
12665  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
12666  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
12667  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
12668  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
12669  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
12670  r_pow_t, r_tmp, rr1_delta, rr2_delta
12671 
12672  REAL(kind=dp) :: c1, c2, c3
12673  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
12674  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
12675  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
12676  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
12677  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
12678  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
12679  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
12680  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
12681  & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_0_4,&
12682  & e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4
12683 
12684 
12685  dr = lgth
12686  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
12687 
12688  s_r(:, :, :) = 0.0_dp
12689 
12690  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
12691 
12692  h_to_c_0_0 = sqrt(alpha/pi)
12693 
12694  h_to_c_0_1 = 0.0_dp
12695  h_to_c_1_1 = +2*alpha*h_to_c_0_0
12696  h_to_c_0_2 = -1*h_to_c_1_1
12697  h_to_c_1_2 = +2*alpha*h_to_c_0_1
12698  h_to_c_2_2 = +2*alpha*h_to_c_1_1
12699  h_to_c_0_3 = -1*h_to_c_1_2
12700  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
12701  h_to_c_2_3 = +2*alpha*h_to_c_1_2
12702  h_to_c_3_3 = +2*alpha*h_to_c_2_2
12703  h_to_c_0_4 = -1*h_to_c_1_3
12704  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
12705  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
12706  h_to_c_3_4 = +2*alpha*h_to_c_2_3
12707  h_to_c_4_4 = +2*alpha*h_to_c_3_3
12708  h_to_c_0_5 = -1*h_to_c_1_4
12709  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
12710  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
12711  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
12712  h_to_c_4_5 = +2*alpha*h_to_c_3_4
12713  h_to_c_5_5 = +2*alpha*h_to_c_4_4
12714  h_to_c_0_6 = -1*h_to_c_1_5
12715  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
12716  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
12717  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
12718  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
12719  h_to_c_5_6 = +2*alpha*h_to_c_4_5
12720  h_to_c_6_6 = +2*alpha*h_to_c_5_5
12721  h_to_c_0_7 = -1*h_to_c_1_6
12722  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
12723  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
12724  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
12725  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
12726  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
12727  h_to_c_6_7 = +2*alpha*h_to_c_5_6
12728  h_to_c_7_7 = +2*alpha*h_to_c_6_6
12729  h_to_c_0_8 = -1*h_to_c_1_7
12730  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
12731  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
12732  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
12733  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
12734  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
12735  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
12736  h_to_c_7_8 = +2*alpha*h_to_c_6_7
12737  h_to_c_8_8 = +2*alpha*h_to_c_7_7
12738 
12739 
12740  rr1_delta = (ra - rb)/dr
12741 
12742  rr1_l = ceiling(-r_c(1) + rr1_delta)
12743  rr1_r = floor(r_c(1) + rr1_delta)
12744 
12745  r1 = rr1_l*dr
12746 
12747  alpha_e = zeta*zetb/(zeta + zetb)
12748 
12749  DO rr1 = rr1_l, rr1_r
12750  s_r_t_0 = 0.0_dp
12751  s_r_t2_0 = 0.0_dp
12752  s_r_t_1 = 0.0_dp
12753  s_r_t2_1 = 0.0_dp
12754  s_r_t_2 = 0.0_dp
12755  s_r_t2_2 = 0.0_dp
12756  s_r_t_3 = 0.0_dp
12757  s_r_t2_3 = 0.0_dp
12758  s_r_t_4 = 0.0_dp
12759  s_r_t2_4 = 0.0_dp
12760  s_r_t_5 = 0.0_dp
12761  s_r_t2_5 = 0.0_dp
12762  s_r_t_6 = 0.0_dp
12763  s_r_t2_6 = 0.0_dp
12764  s_r_t_7 = 0.0_dp
12765  s_r_t2_7 = 0.0_dp
12766  s_r_t_8 = 0.0_dp
12767  s_r_t2_8 = 0.0_dp
12768  r_tmp = r_offset + r1*zeta/(zeta + zetb)
12769  rr2_delta = -r_tmp/dr
12770 
12771  rr2_l = ceiling(-r_c(2) + rr2_delta)
12772  rr2_r = floor(r_c(2) + rr2_delta)
12773 
12774  r = r_tmp + (rr2_l)*dr
12775 
12776 
12777  DO rr2 = rr2_l, rr2_r
12778  r_pow_t = 1.0_dp
12779  exp2_rsq = exp(-alpha*r*r)
12780  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
12781  r_pow_t = r_pow_t*r
12782  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
12783  r_pow_t = r_pow_t*r
12784  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
12785  r_pow_t = r_pow_t*r
12786  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
12787  r_pow_t = r_pow_t*r
12788  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
12789  r_pow_t = r_pow_t*r
12790  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
12791  r_pow_t = r_pow_t*r
12792  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
12793  r_pow_t = r_pow_t*r
12794  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
12795  r_pow_t = r_pow_t*r
12796  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
12797 
12798  r = r + dr
12799  END DO
12800 
12801  ! C --> H
12802  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
12803  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
12804  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
12805  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
12806  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
12807  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
12808  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
12809  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
12810  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
12811  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
12812  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
12813  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
12814  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
12815  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
12816  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
12817  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
12818  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
12819  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
12820  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
12821  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
12822  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
12823  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
12824  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
12825  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
12826  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
12827  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
12828  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
12829  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
12830  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
12831  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
12832  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
12833  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
12834  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
12835  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
12836  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
12837  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
12838  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
12839  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
12840  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
12841  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
12842  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
12843  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
12844  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
12845  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
12846  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
12847 
12848  ! H --> HH
12849  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
12850 
12851  c1 = 1.0_dp/(zeta + zetb)
12852  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
12853  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
12854 
12855  e_0_1_0 = zeta*( &
12856  +c2*e_0_0_0&
12857 
12858  )
12859  e_0_0_1 = zetb*( &
12860  +c3*e_0_0_0&
12861 
12862  )
12863  e_1_1_0 = zeta*( c1*e_0_0_0 &
12864 
12865 
12866  )
12867  e_1_0_1 = zetb*( c1*e_0_0_0 &
12868 
12869 
12870  )
12871  e_0_1_1 = zetb*( &
12872  +c3*e_0_1_0&
12873  +2*e_1_1_0 &
12874  )
12875  e_1_1_1 = zetb*( c1*e_0_1_0 &
12876  +c3*e_1_1_0&
12877 
12878  )
12879  e_2_1_1 = zetb*( c1*e_1_1_0 &
12880 
12881 
12882  )
12883  e_0_1_1 = zeta*( &
12884  +c2*e_0_0_1&
12885  +2*e_1_0_1 &
12886  )
12887  e_0_0_2 = zetb*( &
12888  +c3*e_0_0_1&
12889  +2*e_1_0_1 &
12890  -2*e_0_0_0)
12891  e_1_1_1 = zeta*( c1*e_0_0_1 &
12892  +c2*e_1_0_1&
12893 
12894  )
12895  e_1_0_2 = zetb*( c1*e_0_0_1 &
12896  +c3*e_1_0_1&
12897 
12898  )
12899  e_2_1_1 = zeta*( c1*e_1_0_1 &
12900 
12901 
12902  )
12903  e_2_0_2 = zetb*( c1*e_1_0_1 &
12904 
12905 
12906  )
12907  e_0_1_2 = zetb*( &
12908  +c3*e_0_1_1&
12909  +2*e_1_1_1 &
12910  -2*e_0_1_0)
12911  e_1_1_2 = zetb*( c1*e_0_1_1 &
12912  +c3*e_1_1_1&
12913  +4*e_2_1_1 &
12914  -2*e_1_1_0)
12915  e_2_1_2 = zetb*( c1*e_1_1_1 &
12916  +c3*e_2_1_1&
12917 
12918  )
12919  e_3_1_2 = zetb*( c1*e_2_1_1 &
12920 
12921 
12922  )
12923  e_0_1_2 = zeta*( &
12924  +c2*e_0_0_2&
12925  +2*e_1_0_2 &
12926  )
12927  e_0_0_3 = zetb*( &
12928  +c3*e_0_0_2&
12929  +2*e_1_0_2 &
12930  -4*e_0_0_1)
12931  e_1_1_2 = zeta*( c1*e_0_0_2 &
12932  +c2*e_1_0_2&
12933  +4*e_2_0_2 &
12934  )
12935  e_1_0_3 = zetb*( c1*e_0_0_2 &
12936  +c3*e_1_0_2&
12937  +4*e_2_0_2 &
12938  -4*e_1_0_1)
12939  e_2_1_2 = zeta*( c1*e_1_0_2 &
12940  +c2*e_2_0_2&
12941 
12942  )
12943  e_2_0_3 = zetb*( c1*e_1_0_2 &
12944  +c3*e_2_0_2&
12945 
12946  )
12947  e_3_1_2 = zeta*( c1*e_2_0_2 &
12948 
12949 
12950  )
12951  e_3_0_3 = zetb*( c1*e_2_0_2 &
12952 
12953 
12954  )
12955  e_0_1_3 = zetb*( &
12956  +c3*e_0_1_2&
12957  +2*e_1_1_2 &
12958  -4*e_0_1_1)
12959  e_1_1_3 = zetb*( c1*e_0_1_2 &
12960  +c3*e_1_1_2&
12961  +4*e_2_1_2 &
12962  -4*e_1_1_1)
12963  e_2_1_3 = zetb*( c1*e_1_1_2 &
12964  +c3*e_2_1_2&
12965  +6*e_3_1_2 &
12966  -4*e_2_1_1)
12967  e_3_1_3 = zetb*( c1*e_2_1_2 &
12968  +c3*e_3_1_2&
12969 
12970  )
12971  e_4_1_3 = zetb*( c1*e_3_1_2 &
12972 
12973 
12974  )
12975  e_0_1_3 = zeta*( &
12976  +c2*e_0_0_3&
12977  +2*e_1_0_3 &
12978  )
12979  e_0_0_4 = zetb*( &
12980  +c3*e_0_0_3&
12981  +2*e_1_0_3 &
12982  -6*e_0_0_2)
12983  e_1_1_3 = zeta*( c1*e_0_0_3 &
12984  +c2*e_1_0_3&
12985  +4*e_2_0_3 &
12986  )
12987  e_1_0_4 = zetb*( c1*e_0_0_3 &
12988  +c3*e_1_0_3&
12989  +4*e_2_0_3 &
12990  -6*e_1_0_2)
12991  e_2_1_3 = zeta*( c1*e_1_0_3 &
12992  +c2*e_2_0_3&
12993  +6*e_3_0_3 &
12994  )
12995  e_2_0_4 = zetb*( c1*e_1_0_3 &
12996  +c3*e_2_0_3&
12997  +6*e_3_0_3 &
12998  -6*e_2_0_2)
12999  e_3_1_3 = zeta*( c1*e_2_0_3 &
13000  +c2*e_3_0_3&
13001 
13002  )
13003  e_3_0_4 = zetb*( c1*e_2_0_3 &
13004  +c3*e_3_0_3&
13005 
13006  )
13007  e_4_1_3 = zeta*( c1*e_3_0_3 &
13008 
13009 
13010  )
13011  e_4_0_4 = zetb*( c1*e_3_0_3 &
13012 
13013 
13014  )
13015  e_0_1_4 = zetb*( &
13016  +c3*e_0_1_3&
13017  +2*e_1_1_3 &
13018  -6*e_0_1_2)
13019  e_1_1_4 = zetb*( c1*e_0_1_3 &
13020  +c3*e_1_1_3&
13021  +4*e_2_1_3 &
13022  -6*e_1_1_2)
13023  e_2_1_4 = zetb*( c1*e_1_1_3 &
13024  +c3*e_2_1_3&
13025  +6*e_3_1_3 &
13026  -6*e_2_1_2)
13027  e_3_1_4 = zetb*( c1*e_2_1_3 &
13028  +c3*e_3_1_3&
13029  +8*e_4_1_3 &
13030  -6*e_3_1_2)
13031  e_4_1_4 = zetb*( c1*e_3_1_3 &
13032  +c3*e_4_1_3&
13033 
13034  )
13035  e_5_1_4 = zetb*( c1*e_4_1_3 &
13036 
13037 
13038  )
13039  e_0_1_4 = zeta*( &
13040  +c2*e_0_0_4&
13041  +2*e_1_0_4 &
13042  )
13043  e_1_1_4 = zeta*( c1*e_0_0_4 &
13044  +c2*e_1_0_4&
13045  +4*e_2_0_4 &
13046  )
13047  e_2_1_4 = zeta*( c1*e_1_0_4 &
13048  +c2*e_2_0_4&
13049  +6*e_3_0_4 &
13050  )
13051  e_3_1_4 = zeta*( c1*e_2_0_4 &
13052  +c2*e_3_0_4&
13053  +8*e_4_0_4 &
13054  )
13055  e_4_1_4 = zeta*( c1*e_3_0_4 &
13056  +c2*e_4_0_4&
13057 
13058  )
13059  e_5_1_4 = zeta*( c1*e_4_0_4 &
13060 
13061 
13062  )
13063 
13064  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
13065  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
13066  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
13067  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
13068  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
13069  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
13070  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
13071  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
13072  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
13073  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
13074  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
13075  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
13076  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
13077  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
13078  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
13079  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
13080  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
13081  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
13082  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
13083  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
13084  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
13085  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
13086  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
13087  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
13088  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
13089  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
13090  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
13091  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
13092  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
13093  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
13094  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
13095  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
13096  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
13097  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
13098  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
13099  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
13100  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
13101  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
13102  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
13103  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
13104  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
13105  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
13106  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
13107  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
13108  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
13109  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
13110  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
13111  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
13112  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
13113  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
13114  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
13115  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
13116  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
13117  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
13118  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
13119  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
13120  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
13121  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
13122  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
13123  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
13124  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
13125  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
13126  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
13127  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
13128  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
13129  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
13130  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
13131  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
13132  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
13133  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
13134  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
13135  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
13136  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
13137  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
13138  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
13139  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
13140  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
13141  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
13142  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
13143  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
13144  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
13145  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
13146  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
13147  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
13148  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
13149  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
13150  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
13151  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
13152  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
13153  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
13154  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
13155  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
13156  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
13157  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
13158  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
13159  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
13160  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
13161  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
13162  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
13163  s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
13164  s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
13165  s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
13166  s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
13167  s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
13168  s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
13169  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
13170  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
13171  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
13172  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
13173  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
13174  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
13175  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
13176  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
13177  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
13178  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
13179  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
13180  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
13181  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
13182  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
13183  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
13184  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
13185  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
13186  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
13187  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
13188  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
13189  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
13190  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
13191  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
13192  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
13193  s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
13194  s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
13195  s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
13196  s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
13197  s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
13198  s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
13199  s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
13200  s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
13201  s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
13202  s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
13203  s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
13204  r1 = r1 + dr
13205  END DO
13206 
13207  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
13208  END SUBROUTINE
13209  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_4_4_exp_0 ( &
13210  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
13211  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
13212  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
13213  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
13214  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
13215  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
13216  r_pow_t, r_tmp, rr1_delta, rr2_delta
13217 
13218  REAL(kind=dp) :: c1, c2, c3
13219  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
13220  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
13221  & s_r_t2_9
13222  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
13223  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
13224  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
13225  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
13226  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
13227  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
13228  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
13229  & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_0_4,&
13230  & e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4
13231 
13232 
13233  dr = lgth
13234  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
13235 
13236  s_r(:, :, :) = 0.0_dp
13237 
13238  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
13239 
13240  h_to_c_0_0 = sqrt(alpha/pi)
13241 
13242  h_to_c_0_1 = 0.0_dp
13243  h_to_c_1_1 = +2*alpha*h_to_c_0_0
13244  h_to_c_0_2 = -1*h_to_c_1_1
13245  h_to_c_1_2 = +2*alpha*h_to_c_0_1
13246  h_to_c_2_2 = +2*alpha*h_to_c_1_1
13247  h_to_c_0_3 = -1*h_to_c_1_2
13248  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
13249  h_to_c_2_3 = +2*alpha*h_to_c_1_2
13250  h_to_c_3_3 = +2*alpha*h_to_c_2_2
13251  h_to_c_0_4 = -1*h_to_c_1_3
13252  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
13253  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
13254  h_to_c_3_4 = +2*alpha*h_to_c_2_3
13255  h_to_c_4_4 = +2*alpha*h_to_c_3_3
13256  h_to_c_0_5 = -1*h_to_c_1_4
13257  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
13258  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
13259  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
13260  h_to_c_4_5 = +2*alpha*h_to_c_3_4
13261  h_to_c_5_5 = +2*alpha*h_to_c_4_4
13262  h_to_c_0_6 = -1*h_to_c_1_5
13263  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
13264  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
13265  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
13266  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
13267  h_to_c_5_6 = +2*alpha*h_to_c_4_5
13268  h_to_c_6_6 = +2*alpha*h_to_c_5_5
13269  h_to_c_0_7 = -1*h_to_c_1_6
13270  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
13271  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
13272  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
13273  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
13274  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
13275  h_to_c_6_7 = +2*alpha*h_to_c_5_6
13276  h_to_c_7_7 = +2*alpha*h_to_c_6_6
13277  h_to_c_0_8 = -1*h_to_c_1_7
13278  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
13279  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
13280  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
13281  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
13282  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
13283  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
13284  h_to_c_7_8 = +2*alpha*h_to_c_6_7
13285  h_to_c_8_8 = +2*alpha*h_to_c_7_7
13286  h_to_c_0_9 = -1*h_to_c_1_8
13287  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
13288  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
13289  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
13290  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
13291  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
13292  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
13293  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
13294  h_to_c_8_9 = +2*alpha*h_to_c_7_8
13295  h_to_c_9_9 = +2*alpha*h_to_c_8_8
13296 
13297 
13298  rr1_delta = (ra - rb)/dr
13299 
13300  rr1_l = ceiling(-r_c(1) + rr1_delta)
13301  rr1_r = floor(r_c(1) + rr1_delta)
13302 
13303  r1 = rr1_l*dr
13304 
13305  alpha_e = zeta*zetb/(zeta + zetb)
13306 
13307  DO rr1 = rr1_l, rr1_r
13308  s_r_t_0 = 0.0_dp
13309  s_r_t2_0 = 0.0_dp
13310  s_r_t_1 = 0.0_dp
13311  s_r_t2_1 = 0.0_dp
13312  s_r_t_2 = 0.0_dp
13313  s_r_t2_2 = 0.0_dp
13314  s_r_t_3 = 0.0_dp
13315  s_r_t2_3 = 0.0_dp
13316  s_r_t_4 = 0.0_dp
13317  s_r_t2_4 = 0.0_dp
13318  s_r_t_5 = 0.0_dp
13319  s_r_t2_5 = 0.0_dp
13320  s_r_t_6 = 0.0_dp
13321  s_r_t2_6 = 0.0_dp
13322  s_r_t_7 = 0.0_dp
13323  s_r_t2_7 = 0.0_dp
13324  s_r_t_8 = 0.0_dp
13325  s_r_t2_8 = 0.0_dp
13326  s_r_t_9 = 0.0_dp
13327  s_r_t2_9 = 0.0_dp
13328  r_tmp = r_offset + r1*zeta/(zeta + zetb)
13329  rr2_delta = -r_tmp/dr
13330 
13331  rr2_l = ceiling(-r_c(2) + rr2_delta)
13332  rr2_r = floor(r_c(2) + rr2_delta)
13333 
13334  r = r_tmp + (rr2_l)*dr
13335 
13336 
13337  DO rr2 = rr2_l, rr2_r
13338  r_pow_t = 1.0_dp
13339  exp2_rsq = exp(-alpha*r*r)
13340  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
13341  r_pow_t = r_pow_t*r
13342  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
13343  r_pow_t = r_pow_t*r
13344  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
13345  r_pow_t = r_pow_t*r
13346  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
13347  r_pow_t = r_pow_t*r
13348  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
13349  r_pow_t = r_pow_t*r
13350  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
13351  r_pow_t = r_pow_t*r
13352  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
13353  r_pow_t = r_pow_t*r
13354  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
13355  r_pow_t = r_pow_t*r
13356  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
13357  r_pow_t = r_pow_t*r
13358  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
13359 
13360  r = r + dr
13361  END DO
13362 
13363  ! C --> H
13364  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
13365  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
13366  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
13367  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
13368  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
13369  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
13370  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
13371  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
13372  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
13373  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
13374  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
13375  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
13376  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
13377  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
13378  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
13379  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
13380  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
13381  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
13382  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
13383  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
13384  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
13385  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
13386  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
13387  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
13388  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
13389  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
13390  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
13391  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
13392  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
13393  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
13394  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
13395  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
13396  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
13397  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
13398  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
13399  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
13400  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
13401  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
13402  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
13403  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
13404  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
13405  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
13406  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
13407  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
13408  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
13409  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
13410  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
13411  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
13412  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
13413  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
13414  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
13415  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
13416  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
13417  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
13418  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
13419 
13420  ! H --> HH
13421  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
13422 
13423  c1 = 1.0_dp/(zeta + zetb)
13424  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
13425  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
13426 
13427  e_0_1_0 = zeta*( &
13428  +c2*e_0_0_0&
13429 
13430  )
13431  e_0_0_1 = zetb*( &
13432  +c3*e_0_0_0&
13433 
13434  )
13435  e_1_1_0 = zeta*( c1*e_0_0_0 &
13436 
13437 
13438  )
13439  e_1_0_1 = zetb*( c1*e_0_0_0 &
13440 
13441 
13442  )
13443  e_0_1_1 = zetb*( &
13444  +c3*e_0_1_0&
13445  +2*e_1_1_0 &
13446  )
13447  e_1_1_1 = zetb*( c1*e_0_1_0 &
13448  +c3*e_1_1_0&
13449 
13450  )
13451  e_2_1_1 = zetb*( c1*e_1_1_0 &
13452 
13453 
13454  )
13455  e_0_1_1 = zeta*( &
13456  +c2*e_0_0_1&
13457  +2*e_1_0_1 &
13458  )
13459  e_0_0_2 = zetb*( &
13460  +c3*e_0_0_1&
13461  +2*e_1_0_1 &
13462  -2*e_0_0_0)
13463  e_1_1_1 = zeta*( c1*e_0_0_1 &
13464  +c2*e_1_0_1&
13465 
13466  )
13467  e_1_0_2 = zetb*( c1*e_0_0_1 &
13468  +c3*e_1_0_1&
13469 
13470  )
13471  e_2_1_1 = zeta*( c1*e_1_0_1 &
13472 
13473 
13474  )
13475  e_2_0_2 = zetb*( c1*e_1_0_1 &
13476 
13477 
13478  )
13479  e_0_1_2 = zetb*( &
13480  +c3*e_0_1_1&
13481  +2*e_1_1_1 &
13482  -2*e_0_1_0)
13483  e_1_1_2 = zetb*( c1*e_0_1_1 &
13484  +c3*e_1_1_1&
13485  +4*e_2_1_1 &
13486  -2*e_1_1_0)
13487  e_2_1_2 = zetb*( c1*e_1_1_1 &
13488  +c3*e_2_1_1&
13489 
13490  )
13491  e_3_1_2 = zetb*( c1*e_2_1_1 &
13492 
13493 
13494  )
13495  e_0_1_2 = zeta*( &
13496  +c2*e_0_0_2&
13497  +2*e_1_0_2 &
13498  )
13499  e_0_0_3 = zetb*( &
13500  +c3*e_0_0_2&
13501  +2*e_1_0_2 &
13502  -4*e_0_0_1)
13503  e_1_1_2 = zeta*( c1*e_0_0_2 &
13504  +c2*e_1_0_2&
13505  +4*e_2_0_2 &
13506  )
13507  e_1_0_3 = zetb*( c1*e_0_0_2 &
13508  +c3*e_1_0_2&
13509  +4*e_2_0_2 &
13510  -4*e_1_0_1)
13511  e_2_1_2 = zeta*( c1*e_1_0_2 &
13512  +c2*e_2_0_2&
13513 
13514  )
13515  e_2_0_3 = zetb*( c1*e_1_0_2 &
13516  +c3*e_2_0_2&
13517 
13518  )
13519  e_3_1_2 = zeta*( c1*e_2_0_2 &
13520 
13521 
13522  )
13523  e_3_0_3 = zetb*( c1*e_2_0_2 &
13524 
13525 
13526  )
13527  e_0_1_3 = zetb*( &
13528  +c3*e_0_1_2&
13529  +2*e_1_1_2 &
13530  -4*e_0_1_1)
13531  e_1_1_3 = zetb*( c1*e_0_1_2 &
13532  +c3*e_1_1_2&
13533  +4*e_2_1_2 &
13534  -4*e_1_1_1)
13535  e_2_1_3 = zetb*( c1*e_1_1_2 &
13536  +c3*e_2_1_2&
13537  +6*e_3_1_2 &
13538  -4*e_2_1_1)
13539  e_3_1_3 = zetb*( c1*e_2_1_2 &
13540  +c3*e_3_1_2&
13541 
13542  )
13543  e_4_1_3 = zetb*( c1*e_3_1_2 &
13544 
13545 
13546  )
13547  e_0_1_3 = zeta*( &
13548  +c2*e_0_0_3&
13549  +2*e_1_0_3 &
13550  )
13551  e_0_0_4 = zetb*( &
13552  +c3*e_0_0_3&
13553  +2*e_1_0_3 &
13554  -6*e_0_0_2)
13555  e_1_1_3 = zeta*( c1*e_0_0_3 &
13556  +c2*e_1_0_3&
13557  +4*e_2_0_3 &
13558  )
13559  e_1_0_4 = zetb*( c1*e_0_0_3 &
13560  +c3*e_1_0_3&
13561  +4*e_2_0_3 &
13562  -6*e_1_0_2)
13563  e_2_1_3 = zeta*( c1*e_1_0_3 &
13564  +c2*e_2_0_3&
13565  +6*e_3_0_3 &
13566  )
13567  e_2_0_4 = zetb*( c1*e_1_0_3 &
13568  +c3*e_2_0_3&
13569  +6*e_3_0_3 &
13570  -6*e_2_0_2)
13571  e_3_1_3 = zeta*( c1*e_2_0_3 &
13572  +c2*e_3_0_3&
13573 
13574  )
13575  e_3_0_4 = zetb*( c1*e_2_0_3 &
13576  +c3*e_3_0_3&
13577 
13578  )
13579  e_4_1_3 = zeta*( c1*e_3_0_3 &
13580 
13581 
13582  )
13583  e_4_0_4 = zetb*( c1*e_3_0_3 &
13584 
13585 
13586  )
13587  e_0_1_4 = zetb*( &
13588  +c3*e_0_1_3&
13589  +2*e_1_1_3 &
13590  -6*e_0_1_2)
13591  e_1_1_4 = zetb*( c1*e_0_1_3 &
13592  +c3*e_1_1_3&
13593  +4*e_2_1_3 &
13594  -6*e_1_1_2)
13595  e_2_1_4 = zetb*( c1*e_1_1_3 &
13596  +c3*e_2_1_3&
13597  +6*e_3_1_3 &
13598  -6*e_2_1_2)
13599  e_3_1_4 = zetb*( c1*e_2_1_3 &
13600  +c3*e_3_1_3&
13601  +8*e_4_1_3 &
13602  -6*e_3_1_2)
13603  e_4_1_4 = zetb*( c1*e_3_1_3 &
13604  +c3*e_4_1_3&
13605 
13606  )
13607  e_5_1_4 = zetb*( c1*e_4_1_3 &
13608 
13609 
13610  )
13611  e_0_1_4 = zeta*( &
13612  +c2*e_0_0_4&
13613  +2*e_1_0_4 &
13614  )
13615  e_1_1_4 = zeta*( c1*e_0_0_4 &
13616  +c2*e_1_0_4&
13617  +4*e_2_0_4 &
13618  )
13619  e_2_1_4 = zeta*( c1*e_1_0_4 &
13620  +c2*e_2_0_4&
13621  +6*e_3_0_4 &
13622  )
13623  e_3_1_4 = zeta*( c1*e_2_0_4 &
13624  +c2*e_3_0_4&
13625  +8*e_4_0_4 &
13626  )
13627  e_4_1_4 = zeta*( c1*e_3_0_4 &
13628  +c2*e_4_0_4&
13629 
13630  )
13631  e_5_1_4 = zeta*( c1*e_4_0_4 &
13632 
13633 
13634  )
13635 
13636  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
13637  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
13638  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
13639  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
13640  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
13641  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
13642  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
13643  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
13644  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
13645  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
13646  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
13647  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
13648  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
13649  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
13650  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
13651  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
13652  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
13653  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
13654  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
13655  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
13656  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
13657  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
13658  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
13659  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
13660  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
13661  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
13662  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
13663  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
13664  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
13665  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
13666  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
13667  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
13668  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
13669  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
13670  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
13671  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
13672  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
13673  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
13674  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
13675  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
13676  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
13677  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
13678  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
13679  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
13680  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
13681  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
13682  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
13683  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
13684  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
13685  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
13686  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
13687  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
13688  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
13689  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
13690  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
13691  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
13692  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
13693  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
13694  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
13695  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
13696  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
13697  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
13698  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
13699  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
13700  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
13701  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
13702  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
13703  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
13704  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
13705  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
13706  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
13707  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
13708  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
13709  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
13710  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
13711  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
13712  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
13713  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
13714  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
13715  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
13716  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
13717  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
13718  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
13719  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
13720  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
13721  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
13722  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
13723  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
13724  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
13725  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
13726  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
13727  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
13728  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
13729  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
13730  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
13731  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
13732  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
13733  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
13734  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
13735  s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
13736  s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
13737  s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
13738  s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
13739  s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
13740  s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
13741  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
13742  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
13743  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
13744  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
13745  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
13746  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
13747  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
13748  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
13749  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
13750  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
13751  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
13752  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
13753  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
13754  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
13755  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
13756  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
13757  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
13758  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
13759  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
13760  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
13761  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
13762  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
13763  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
13764  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
13765  s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
13766  s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
13767  s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
13768  s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
13769  s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
13770  s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
13771  s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
13772  s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
13773  s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
13774  s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
13775  s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
13776  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
13777  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
13778  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
13779  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
13780  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
13781  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
13782  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
13783  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
13784  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
13785  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
13786  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
13787  s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
13788  s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
13789  s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
13790  s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
13791  s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
13792  s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
13793  s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
13794  s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
13795  s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
13796  s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
13797  s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
13798  s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
13799  s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
13800  s_r(0, 4, 4) = s_r(0, 4, 4) + e_0_0_4*(1)*s_r_t2_4 ! cost: 5 flops
13801  s_r(0, 4, 4) = s_r(0, 4, 4) + e_1_0_4*(1)*s_r_t2_5 ! cost: 5 flops
13802  s_r(0, 4, 4) = s_r(0, 4, 4) + e_2_0_4*(1)*s_r_t2_6 ! cost: 5 flops
13803  s_r(0, 4, 4) = s_r(0, 4, 4) + e_3_0_4*(1)*s_r_t2_7 ! cost: 5 flops
13804  s_r(0, 4, 4) = s_r(0, 4, 4) + e_4_0_4*(1)*s_r_t2_8 ! cost: 5 flops
13805  s_r(1, 4, 4) = s_r(1, 4, 4) + e_0_1_4*(1)*s_r_t2_4 ! cost: 5 flops
13806  s_r(1, 4, 4) = s_r(1, 4, 4) + e_1_1_4*(1)*s_r_t2_5 ! cost: 5 flops
13807  s_r(1, 4, 4) = s_r(1, 4, 4) + e_2_1_4*(1)*s_r_t2_6 ! cost: 5 flops
13808  s_r(1, 4, 4) = s_r(1, 4, 4) + e_3_1_4*(1)*s_r_t2_7 ! cost: 5 flops
13809  s_r(1, 4, 4) = s_r(1, 4, 4) + e_4_1_4*(1)*s_r_t2_8 ! cost: 5 flops
13810  s_r(1, 4, 4) = s_r(1, 4, 4) + e_5_1_4*(1)*s_r_t2_9 ! cost: 5 flops
13811  r1 = r1 + dr
13812  END DO
13813 
13814  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
13815  END SUBROUTINE
13816  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_0_0_exp_0 ( &
13817  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
13818  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
13819  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
13820  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
13821  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
13822  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
13823  r_pow_t, r_tmp, rr1_delta, rr2_delta
13824 
13825  REAL(kind=dp) :: c1, c2, c3
13826  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2
13827  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2
13828  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2
13829  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0
13830 
13831 
13832  dr = lgth
13833  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
13834 
13835  s_r(:, :, :) = 0.0_dp
13836 
13837  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
13838 
13839  h_to_c_0_0 = sqrt(alpha/pi)
13840 
13841  h_to_c_0_1 = 0.0_dp
13842  h_to_c_1_1 = +2*alpha*h_to_c_0_0
13843  h_to_c_0_2 = -1*h_to_c_1_1
13844  h_to_c_1_2 = +2*alpha*h_to_c_0_1
13845  h_to_c_2_2 = +2*alpha*h_to_c_1_1
13846 
13847 
13848  rr1_delta = (ra - rb)/dr
13849 
13850  rr1_l = ceiling(-r_c(1) + rr1_delta)
13851  rr1_r = floor(r_c(1) + rr1_delta)
13852 
13853  r1 = rr1_l*dr
13854 
13855  alpha_e = zeta*zetb/(zeta + zetb)
13856 
13857  DO rr1 = rr1_l, rr1_r
13858  s_r_t_0 = 0.0_dp
13859  s_r_t2_0 = 0.0_dp
13860  s_r_t_1 = 0.0_dp
13861  s_r_t2_1 = 0.0_dp
13862  s_r_t_2 = 0.0_dp
13863  s_r_t2_2 = 0.0_dp
13864  r_tmp = r_offset + r1*zeta/(zeta + zetb)
13865  rr2_delta = -r_tmp/dr
13866 
13867  rr2_l = ceiling(-r_c(2) + rr2_delta)
13868  rr2_r = floor(r_c(2) + rr2_delta)
13869 
13870  r = r_tmp + (rr2_l)*dr
13871 
13872 
13873  DO rr2 = rr2_l, rr2_r
13874  r_pow_t = 1.0_dp
13875  exp2_rsq = exp(-alpha*r*r)
13876  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
13877  r_pow_t = r_pow_t*r
13878  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
13879  r_pow_t = r_pow_t*r
13880  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
13881 
13882  r = r + dr
13883  END DO
13884 
13885  ! C --> H
13886  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
13887  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
13888  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
13889  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
13890  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
13891  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
13892 
13893  ! H --> HH
13894  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
13895 
13896  c1 = 1.0_dp/(zeta + zetb)
13897  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
13898  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
13899 
13900  e_0_1_0 = zeta*( &
13901  +c2*e_0_0_0&
13902 
13903  )
13904  e_1_1_0 = zeta*( c1*e_0_0_0 &
13905 
13906 
13907  )
13908  e_0_2_0 = zeta*( &
13909  +c2*e_0_1_0&
13910  +2*e_1_1_0 &
13911  -2*e_0_0_0)
13912  e_1_2_0 = zeta*( c1*e_0_1_0 &
13913  +c2*e_1_1_0&
13914 
13915  )
13916  e_2_2_0 = zeta*( c1*e_1_1_0 &
13917 
13918 
13919  )
13920 
13921  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
13922  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
13923  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
13924  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
13925  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
13926  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
13927  r1 = r1 + dr
13928  END DO
13929 
13930  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
13931  END SUBROUTINE
13932  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_0_1_exp_0 ( &
13933  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
13934  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
13935  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
13936  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
13937  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
13938  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
13939  r_pow_t, r_tmp, rr1_delta, rr2_delta
13940 
13941  REAL(kind=dp) :: c1, c2, c3
13942  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
13943  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
13944  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
13945  & h_to_c_3_3
13946  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0
13947 
13948 
13949  dr = lgth
13950  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
13951 
13952  s_r(:, :, :) = 0.0_dp
13953 
13954  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
13955 
13956  h_to_c_0_0 = sqrt(alpha/pi)
13957 
13958  h_to_c_0_1 = 0.0_dp
13959  h_to_c_1_1 = +2*alpha*h_to_c_0_0
13960  h_to_c_0_2 = -1*h_to_c_1_1
13961  h_to_c_1_2 = +2*alpha*h_to_c_0_1
13962  h_to_c_2_2 = +2*alpha*h_to_c_1_1
13963  h_to_c_0_3 = -1*h_to_c_1_2
13964  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
13965  h_to_c_2_3 = +2*alpha*h_to_c_1_2
13966  h_to_c_3_3 = +2*alpha*h_to_c_2_2
13967 
13968 
13969  rr1_delta = (ra - rb)/dr
13970 
13971  rr1_l = ceiling(-r_c(1) + rr1_delta)
13972  rr1_r = floor(r_c(1) + rr1_delta)
13973 
13974  r1 = rr1_l*dr
13975 
13976  alpha_e = zeta*zetb/(zeta + zetb)
13977 
13978  DO rr1 = rr1_l, rr1_r
13979  s_r_t_0 = 0.0_dp
13980  s_r_t2_0 = 0.0_dp
13981  s_r_t_1 = 0.0_dp
13982  s_r_t2_1 = 0.0_dp
13983  s_r_t_2 = 0.0_dp
13984  s_r_t2_2 = 0.0_dp
13985  s_r_t_3 = 0.0_dp
13986  s_r_t2_3 = 0.0_dp
13987  r_tmp = r_offset + r1*zeta/(zeta + zetb)
13988  rr2_delta = -r_tmp/dr
13989 
13990  rr2_l = ceiling(-r_c(2) + rr2_delta)
13991  rr2_r = floor(r_c(2) + rr2_delta)
13992 
13993  r = r_tmp + (rr2_l)*dr
13994 
13995 
13996  DO rr2 = rr2_l, rr2_r
13997  r_pow_t = 1.0_dp
13998  exp2_rsq = exp(-alpha*r*r)
13999  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
14000  r_pow_t = r_pow_t*r
14001  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
14002  r_pow_t = r_pow_t*r
14003  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
14004  r_pow_t = r_pow_t*r
14005  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
14006 
14007  r = r + dr
14008  END DO
14009 
14010  ! C --> H
14011  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
14012  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
14013  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
14014  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
14015  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
14016  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
14017  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
14018  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
14019  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
14020  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
14021 
14022  ! H --> HH
14023  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
14024 
14025  c1 = 1.0_dp/(zeta + zetb)
14026  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
14027  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
14028 
14029  e_0_1_0 = zeta*( &
14030  +c2*e_0_0_0&
14031 
14032  )
14033  e_1_1_0 = zeta*( c1*e_0_0_0 &
14034 
14035 
14036  )
14037  e_0_2_0 = zeta*( &
14038  +c2*e_0_1_0&
14039  +2*e_1_1_0 &
14040  -2*e_0_0_0)
14041  e_1_2_0 = zeta*( c1*e_0_1_0 &
14042  +c2*e_1_1_0&
14043 
14044  )
14045  e_2_2_0 = zeta*( c1*e_1_1_0 &
14046 
14047 
14048  )
14049 
14050  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
14051  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
14052  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
14053  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
14054  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
14055  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
14056  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
14057  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
14058  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
14059  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
14060  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
14061  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
14062  r1 = r1 + dr
14063  END DO
14064 
14065  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
14066  END SUBROUTINE
14067  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_0_2_exp_0 ( &
14068  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
14069  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
14070  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
14071  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
14072  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
14073  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
14074  r_pow_t, r_tmp, rr1_delta, rr2_delta
14075 
14076  REAL(kind=dp) :: c1, c2, c3
14077  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
14078  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
14079  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
14080  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
14081  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0
14082 
14083 
14084  dr = lgth
14085  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
14086 
14087  s_r(:, :, :) = 0.0_dp
14088 
14089  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
14090 
14091  h_to_c_0_0 = sqrt(alpha/pi)
14092 
14093  h_to_c_0_1 = 0.0_dp
14094  h_to_c_1_1 = +2*alpha*h_to_c_0_0
14095  h_to_c_0_2 = -1*h_to_c_1_1
14096  h_to_c_1_2 = +2*alpha*h_to_c_0_1
14097  h_to_c_2_2 = +2*alpha*h_to_c_1_1
14098  h_to_c_0_3 = -1*h_to_c_1_2
14099  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
14100  h_to_c_2_3 = +2*alpha*h_to_c_1_2
14101  h_to_c_3_3 = +2*alpha*h_to_c_2_2
14102  h_to_c_0_4 = -1*h_to_c_1_3
14103  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
14104  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
14105  h_to_c_3_4 = +2*alpha*h_to_c_2_3
14106  h_to_c_4_4 = +2*alpha*h_to_c_3_3
14107 
14108 
14109  rr1_delta = (ra - rb)/dr
14110 
14111  rr1_l = ceiling(-r_c(1) + rr1_delta)
14112  rr1_r = floor(r_c(1) + rr1_delta)
14113 
14114  r1 = rr1_l*dr
14115 
14116  alpha_e = zeta*zetb/(zeta + zetb)
14117 
14118  DO rr1 = rr1_l, rr1_r
14119  s_r_t_0 = 0.0_dp
14120  s_r_t2_0 = 0.0_dp
14121  s_r_t_1 = 0.0_dp
14122  s_r_t2_1 = 0.0_dp
14123  s_r_t_2 = 0.0_dp
14124  s_r_t2_2 = 0.0_dp
14125  s_r_t_3 = 0.0_dp
14126  s_r_t2_3 = 0.0_dp
14127  s_r_t_4 = 0.0_dp
14128  s_r_t2_4 = 0.0_dp
14129  r_tmp = r_offset + r1*zeta/(zeta + zetb)
14130  rr2_delta = -r_tmp/dr
14131 
14132  rr2_l = ceiling(-r_c(2) + rr2_delta)
14133  rr2_r = floor(r_c(2) + rr2_delta)
14134 
14135  r = r_tmp + (rr2_l)*dr
14136 
14137 
14138  DO rr2 = rr2_l, rr2_r
14139  r_pow_t = 1.0_dp
14140  exp2_rsq = exp(-alpha*r*r)
14141  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
14142  r_pow_t = r_pow_t*r
14143  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
14144  r_pow_t = r_pow_t*r
14145  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
14146  r_pow_t = r_pow_t*r
14147  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
14148  r_pow_t = r_pow_t*r
14149  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
14150 
14151  r = r + dr
14152  END DO
14153 
14154  ! C --> H
14155  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
14156  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
14157  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
14158  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
14159  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
14160  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
14161  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
14162  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
14163  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
14164  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
14165  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
14166  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
14167  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
14168  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
14169  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
14170 
14171  ! H --> HH
14172  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
14173 
14174  c1 = 1.0_dp/(zeta + zetb)
14175  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
14176  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
14177 
14178  e_0_1_0 = zeta*( &
14179  +c2*e_0_0_0&
14180 
14181  )
14182  e_1_1_0 = zeta*( c1*e_0_0_0 &
14183 
14184 
14185  )
14186  e_0_2_0 = zeta*( &
14187  +c2*e_0_1_0&
14188  +2*e_1_1_0 &
14189  -2*e_0_0_0)
14190  e_1_2_0 = zeta*( c1*e_0_1_0 &
14191  +c2*e_1_1_0&
14192 
14193  )
14194  e_2_2_0 = zeta*( c1*e_1_1_0 &
14195 
14196 
14197  )
14198 
14199  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
14200  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
14201  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
14202  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
14203  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
14204  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
14205  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
14206  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
14207  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
14208  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
14209  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
14210  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
14211  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
14212  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
14213  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
14214  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
14215  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
14216  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
14217  r1 = r1 + dr
14218  END DO
14219 
14220  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
14221  END SUBROUTINE
14222  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_0_3_exp_0 ( &
14223  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
14224  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
14225  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
14226  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
14227  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
14228  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
14229  r_pow_t, r_tmp, rr1_delta, rr2_delta
14230 
14231  REAL(kind=dp) :: c1, c2, c3
14232  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
14233  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
14234  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
14235  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
14236  & h_to_c_4_5, h_to_c_5_5
14237  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0
14238 
14239 
14240  dr = lgth
14241  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
14242 
14243  s_r(:, :, :) = 0.0_dp
14244 
14245  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
14246 
14247  h_to_c_0_0 = sqrt(alpha/pi)
14248 
14249  h_to_c_0_1 = 0.0_dp
14250  h_to_c_1_1 = +2*alpha*h_to_c_0_0
14251  h_to_c_0_2 = -1*h_to_c_1_1
14252  h_to_c_1_2 = +2*alpha*h_to_c_0_1
14253  h_to_c_2_2 = +2*alpha*h_to_c_1_1
14254  h_to_c_0_3 = -1*h_to_c_1_2
14255  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
14256  h_to_c_2_3 = +2*alpha*h_to_c_1_2
14257  h_to_c_3_3 = +2*alpha*h_to_c_2_2
14258  h_to_c_0_4 = -1*h_to_c_1_3
14259  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
14260  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
14261  h_to_c_3_4 = +2*alpha*h_to_c_2_3
14262  h_to_c_4_4 = +2*alpha*h_to_c_3_3
14263  h_to_c_0_5 = -1*h_to_c_1_4
14264  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
14265  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
14266  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
14267  h_to_c_4_5 = +2*alpha*h_to_c_3_4
14268  h_to_c_5_5 = +2*alpha*h_to_c_4_4
14269 
14270 
14271  rr1_delta = (ra - rb)/dr
14272 
14273  rr1_l = ceiling(-r_c(1) + rr1_delta)
14274  rr1_r = floor(r_c(1) + rr1_delta)
14275 
14276  r1 = rr1_l*dr
14277 
14278  alpha_e = zeta*zetb/(zeta + zetb)
14279 
14280  DO rr1 = rr1_l, rr1_r
14281  s_r_t_0 = 0.0_dp
14282  s_r_t2_0 = 0.0_dp
14283  s_r_t_1 = 0.0_dp
14284  s_r_t2_1 = 0.0_dp
14285  s_r_t_2 = 0.0_dp
14286  s_r_t2_2 = 0.0_dp
14287  s_r_t_3 = 0.0_dp
14288  s_r_t2_3 = 0.0_dp
14289  s_r_t_4 = 0.0_dp
14290  s_r_t2_4 = 0.0_dp
14291  s_r_t_5 = 0.0_dp
14292  s_r_t2_5 = 0.0_dp
14293  r_tmp = r_offset + r1*zeta/(zeta + zetb)
14294  rr2_delta = -r_tmp/dr
14295 
14296  rr2_l = ceiling(-r_c(2) + rr2_delta)
14297  rr2_r = floor(r_c(2) + rr2_delta)
14298 
14299  r = r_tmp + (rr2_l)*dr
14300 
14301 
14302  DO rr2 = rr2_l, rr2_r
14303  r_pow_t = 1.0_dp
14304  exp2_rsq = exp(-alpha*r*r)
14305  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
14306  r_pow_t = r_pow_t*r
14307  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
14308  r_pow_t = r_pow_t*r
14309  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
14310  r_pow_t = r_pow_t*r
14311  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
14312  r_pow_t = r_pow_t*r
14313  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
14314  r_pow_t = r_pow_t*r
14315  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
14316 
14317  r = r + dr
14318  END DO
14319 
14320  ! C --> H
14321  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
14322  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
14323  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
14324  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
14325  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
14326  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
14327  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
14328  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
14329  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
14330  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
14331  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
14332  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
14333  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
14334  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
14335  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
14336  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
14337  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
14338  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
14339  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
14340  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
14341  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
14342 
14343  ! H --> HH
14344  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
14345 
14346  c1 = 1.0_dp/(zeta + zetb)
14347  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
14348  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
14349 
14350  e_0_1_0 = zeta*( &
14351  +c2*e_0_0_0&
14352 
14353  )
14354  e_1_1_0 = zeta*( c1*e_0_0_0 &
14355 
14356 
14357  )
14358  e_0_2_0 = zeta*( &
14359  +c2*e_0_1_0&
14360  +2*e_1_1_0 &
14361  -2*e_0_0_0)
14362  e_1_2_0 = zeta*( c1*e_0_1_0 &
14363  +c2*e_1_1_0&
14364 
14365  )
14366  e_2_2_0 = zeta*( c1*e_1_1_0 &
14367 
14368 
14369  )
14370 
14371  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
14372  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
14373  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
14374  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
14375  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
14376  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
14377  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
14378  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
14379  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
14380  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
14381  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
14382  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
14383  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
14384  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
14385  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
14386  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
14387  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
14388  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
14389  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
14390  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
14391  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
14392  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
14393  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
14394  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
14395  r1 = r1 + dr
14396  END DO
14397 
14398  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
14399  END SUBROUTINE
14400  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_0_4_exp_0 ( &
14401  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
14402  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
14403  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
14404  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
14405  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
14406  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
14407  r_pow_t, r_tmp, rr1_delta, rr2_delta
14408 
14409  REAL(kind=dp) :: c1, c2, c3
14410  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
14411  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
14412  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
14413  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
14414  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
14415  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0
14416 
14417 
14418  dr = lgth
14419  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
14420 
14421  s_r(:, :, :) = 0.0_dp
14422 
14423  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
14424 
14425  h_to_c_0_0 = sqrt(alpha/pi)
14426 
14427  h_to_c_0_1 = 0.0_dp
14428  h_to_c_1_1 = +2*alpha*h_to_c_0_0
14429  h_to_c_0_2 = -1*h_to_c_1_1
14430  h_to_c_1_2 = +2*alpha*h_to_c_0_1
14431  h_to_c_2_2 = +2*alpha*h_to_c_1_1
14432  h_to_c_0_3 = -1*h_to_c_1_2
14433  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
14434  h_to_c_2_3 = +2*alpha*h_to_c_1_2
14435  h_to_c_3_3 = +2*alpha*h_to_c_2_2
14436  h_to_c_0_4 = -1*h_to_c_1_3
14437  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
14438  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
14439  h_to_c_3_4 = +2*alpha*h_to_c_2_3
14440  h_to_c_4_4 = +2*alpha*h_to_c_3_3
14441  h_to_c_0_5 = -1*h_to_c_1_4
14442  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
14443  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
14444  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
14445  h_to_c_4_5 = +2*alpha*h_to_c_3_4
14446  h_to_c_5_5 = +2*alpha*h_to_c_4_4
14447  h_to_c_0_6 = -1*h_to_c_1_5
14448  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
14449  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
14450  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
14451  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
14452  h_to_c_5_6 = +2*alpha*h_to_c_4_5
14453  h_to_c_6_6 = +2*alpha*h_to_c_5_5
14454 
14455 
14456  rr1_delta = (ra - rb)/dr
14457 
14458  rr1_l = ceiling(-r_c(1) + rr1_delta)
14459  rr1_r = floor(r_c(1) + rr1_delta)
14460 
14461  r1 = rr1_l*dr
14462 
14463  alpha_e = zeta*zetb/(zeta + zetb)
14464 
14465  DO rr1 = rr1_l, rr1_r
14466  s_r_t_0 = 0.0_dp
14467  s_r_t2_0 = 0.0_dp
14468  s_r_t_1 = 0.0_dp
14469  s_r_t2_1 = 0.0_dp
14470  s_r_t_2 = 0.0_dp
14471  s_r_t2_2 = 0.0_dp
14472  s_r_t_3 = 0.0_dp
14473  s_r_t2_3 = 0.0_dp
14474  s_r_t_4 = 0.0_dp
14475  s_r_t2_4 = 0.0_dp
14476  s_r_t_5 = 0.0_dp
14477  s_r_t2_5 = 0.0_dp
14478  s_r_t_6 = 0.0_dp
14479  s_r_t2_6 = 0.0_dp
14480  r_tmp = r_offset + r1*zeta/(zeta + zetb)
14481  rr2_delta = -r_tmp/dr
14482 
14483  rr2_l = ceiling(-r_c(2) + rr2_delta)
14484  rr2_r = floor(r_c(2) + rr2_delta)
14485 
14486  r = r_tmp + (rr2_l)*dr
14487 
14488 
14489  DO rr2 = rr2_l, rr2_r
14490  r_pow_t = 1.0_dp
14491  exp2_rsq = exp(-alpha*r*r)
14492  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
14493  r_pow_t = r_pow_t*r
14494  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
14495  r_pow_t = r_pow_t*r
14496  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
14497  r_pow_t = r_pow_t*r
14498  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
14499  r_pow_t = r_pow_t*r
14500  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
14501  r_pow_t = r_pow_t*r
14502  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
14503  r_pow_t = r_pow_t*r
14504  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
14505 
14506  r = r + dr
14507  END DO
14508 
14509  ! C --> H
14510  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
14511  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
14512  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
14513  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
14514  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
14515  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
14516  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
14517  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
14518  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
14519  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
14520  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
14521  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
14522  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
14523  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
14524  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
14525  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
14526  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
14527  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
14528  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
14529  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
14530  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
14531  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
14532  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
14533  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
14534  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
14535  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
14536  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
14537  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
14538 
14539  ! H --> HH
14540  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
14541 
14542  c1 = 1.0_dp/(zeta + zetb)
14543  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
14544  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
14545 
14546  e_0_1_0 = zeta*( &
14547  +c2*e_0_0_0&
14548 
14549  )
14550  e_1_1_0 = zeta*( c1*e_0_0_0 &
14551 
14552 
14553  )
14554  e_0_2_0 = zeta*( &
14555  +c2*e_0_1_0&
14556  +2*e_1_1_0 &
14557  -2*e_0_0_0)
14558  e_1_2_0 = zeta*( c1*e_0_1_0 &
14559  +c2*e_1_1_0&
14560 
14561  )
14562  e_2_2_0 = zeta*( c1*e_1_1_0 &
14563 
14564 
14565  )
14566 
14567  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
14568  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
14569  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
14570  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
14571  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
14572  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
14573  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
14574  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
14575  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
14576  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
14577  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
14578  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
14579  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
14580  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
14581  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
14582  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
14583  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
14584  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
14585  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
14586  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
14587  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
14588  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
14589  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
14590  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
14591  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
14592  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
14593  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
14594  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
14595  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
14596  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
14597  r1 = r1 + dr
14598  END DO
14599 
14600  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
14601  END SUBROUTINE
14602  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_1_0_exp_0 ( &
14603  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
14604  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
14605  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
14606  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
14607  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
14608  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
14609  r_pow_t, r_tmp, rr1_delta, rr2_delta
14610 
14611  REAL(kind=dp) :: c1, c2, c3
14612  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
14613  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
14614  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
14615  & h_to_c_3_3
14616  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
14617  & e_1_2_1, e_2_2_1, e_3_2_1
14618 
14619 
14620  dr = lgth
14621  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
14622 
14623  s_r(:, :, :) = 0.0_dp
14624 
14625  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
14626 
14627  h_to_c_0_0 = sqrt(alpha/pi)
14628 
14629  h_to_c_0_1 = 0.0_dp
14630  h_to_c_1_1 = +2*alpha*h_to_c_0_0
14631  h_to_c_0_2 = -1*h_to_c_1_1
14632  h_to_c_1_2 = +2*alpha*h_to_c_0_1
14633  h_to_c_2_2 = +2*alpha*h_to_c_1_1
14634  h_to_c_0_3 = -1*h_to_c_1_2
14635  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
14636  h_to_c_2_3 = +2*alpha*h_to_c_1_2
14637  h_to_c_3_3 = +2*alpha*h_to_c_2_2
14638 
14639 
14640  rr1_delta = (ra - rb)/dr
14641 
14642  rr1_l = ceiling(-r_c(1) + rr1_delta)
14643  rr1_r = floor(r_c(1) + rr1_delta)
14644 
14645  r1 = rr1_l*dr
14646 
14647  alpha_e = zeta*zetb/(zeta + zetb)
14648 
14649  DO rr1 = rr1_l, rr1_r
14650  s_r_t_0 = 0.0_dp
14651  s_r_t2_0 = 0.0_dp
14652  s_r_t_1 = 0.0_dp
14653  s_r_t2_1 = 0.0_dp
14654  s_r_t_2 = 0.0_dp
14655  s_r_t2_2 = 0.0_dp
14656  s_r_t_3 = 0.0_dp
14657  s_r_t2_3 = 0.0_dp
14658  r_tmp = r_offset + r1*zeta/(zeta + zetb)
14659  rr2_delta = -r_tmp/dr
14660 
14661  rr2_l = ceiling(-r_c(2) + rr2_delta)
14662  rr2_r = floor(r_c(2) + rr2_delta)
14663 
14664  r = r_tmp + (rr2_l)*dr
14665 
14666 
14667  DO rr2 = rr2_l, rr2_r
14668  r_pow_t = 1.0_dp
14669  exp2_rsq = exp(-alpha*r*r)
14670  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
14671  r_pow_t = r_pow_t*r
14672  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
14673  r_pow_t = r_pow_t*r
14674  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
14675  r_pow_t = r_pow_t*r
14676  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
14677 
14678  r = r + dr
14679  END DO
14680 
14681  ! C --> H
14682  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
14683  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
14684  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
14685  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
14686  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
14687  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
14688  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
14689  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
14690  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
14691  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
14692 
14693  ! H --> HH
14694  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
14695 
14696  c1 = 1.0_dp/(zeta + zetb)
14697  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
14698  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
14699 
14700  e_0_1_0 = zeta*( &
14701  +c2*e_0_0_0&
14702 
14703  )
14704  e_0_0_1 = zetb*( &
14705  +c3*e_0_0_0&
14706 
14707  )
14708  e_1_1_0 = zeta*( c1*e_0_0_0 &
14709 
14710 
14711  )
14712  e_1_0_1 = zetb*( c1*e_0_0_0 &
14713 
14714 
14715  )
14716  e_0_2_0 = zeta*( &
14717  +c2*e_0_1_0&
14718  +2*e_1_1_0 &
14719  -2*e_0_0_0)
14720  e_0_1_1 = zetb*( &
14721  +c3*e_0_1_0&
14722  +2*e_1_1_0 &
14723  )
14724  e_1_2_0 = zeta*( c1*e_0_1_0 &
14725  +c2*e_1_1_0&
14726 
14727  )
14728  e_1_1_1 = zetb*( c1*e_0_1_0 &
14729  +c3*e_1_1_0&
14730 
14731  )
14732  e_2_2_0 = zeta*( c1*e_1_1_0 &
14733 
14734 
14735  )
14736  e_2_1_1 = zetb*( c1*e_1_1_0 &
14737 
14738 
14739  )
14740  e_0_2_1 = zetb*( &
14741  +c3*e_0_2_0&
14742  +2*e_1_2_0 &
14743  )
14744  e_1_2_1 = zetb*( c1*e_0_2_0 &
14745  +c3*e_1_2_0&
14746  +4*e_2_2_0 &
14747  )
14748  e_2_2_1 = zetb*( c1*e_1_2_0 &
14749  +c3*e_2_2_0&
14750 
14751  )
14752  e_3_2_1 = zetb*( c1*e_2_2_0 &
14753 
14754 
14755  )
14756  e_0_1_1 = zeta*( &
14757  +c2*e_0_0_1&
14758  +2*e_1_0_1 &
14759  )
14760  e_1_1_1 = zeta*( c1*e_0_0_1 &
14761  +c2*e_1_0_1&
14762 
14763  )
14764  e_2_1_1 = zeta*( c1*e_1_0_1 &
14765 
14766 
14767  )
14768  e_0_2_1 = zeta*( &
14769  +c2*e_0_1_1&
14770  +2*e_1_1_1 &
14771  -2*e_0_0_1)
14772  e_1_2_1 = zeta*( c1*e_0_1_1 &
14773  +c2*e_1_1_1&
14774  +4*e_2_1_1 &
14775  -2*e_1_0_1)
14776  e_2_2_1 = zeta*( c1*e_1_1_1 &
14777  +c2*e_2_1_1&
14778 
14779  )
14780  e_3_2_1 = zeta*( c1*e_2_1_1 &
14781 
14782 
14783  )
14784 
14785  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
14786  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
14787  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
14788  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
14789  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
14790  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
14791  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
14792  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
14793  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
14794  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
14795  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
14796  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
14797  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
14798  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
14799  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
14800  r1 = r1 + dr
14801  END DO
14802 
14803  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
14804  END SUBROUTINE
14805  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_1_1_exp_0 ( &
14806  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
14807  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
14808  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
14809  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
14810  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
14811  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
14812  r_pow_t, r_tmp, rr1_delta, rr2_delta
14813 
14814  REAL(kind=dp) :: c1, c2, c3
14815  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
14816  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
14817  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
14818  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
14819  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
14820  & e_1_2_1, e_2_2_1, e_3_2_1
14821 
14822 
14823  dr = lgth
14824  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
14825 
14826  s_r(:, :, :) = 0.0_dp
14827 
14828  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
14829 
14830  h_to_c_0_0 = sqrt(alpha/pi)
14831 
14832  h_to_c_0_1 = 0.0_dp
14833  h_to_c_1_1 = +2*alpha*h_to_c_0_0
14834  h_to_c_0_2 = -1*h_to_c_1_1
14835  h_to_c_1_2 = +2*alpha*h_to_c_0_1
14836  h_to_c_2_2 = +2*alpha*h_to_c_1_1
14837  h_to_c_0_3 = -1*h_to_c_1_2
14838  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
14839  h_to_c_2_3 = +2*alpha*h_to_c_1_2
14840  h_to_c_3_3 = +2*alpha*h_to_c_2_2
14841  h_to_c_0_4 = -1*h_to_c_1_3
14842  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
14843  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
14844  h_to_c_3_4 = +2*alpha*h_to_c_2_3
14845  h_to_c_4_4 = +2*alpha*h_to_c_3_3
14846 
14847 
14848  rr1_delta = (ra - rb)/dr
14849 
14850  rr1_l = ceiling(-r_c(1) + rr1_delta)
14851  rr1_r = floor(r_c(1) + rr1_delta)
14852 
14853  r1 = rr1_l*dr
14854 
14855  alpha_e = zeta*zetb/(zeta + zetb)
14856 
14857  DO rr1 = rr1_l, rr1_r
14858  s_r_t_0 = 0.0_dp
14859  s_r_t2_0 = 0.0_dp
14860  s_r_t_1 = 0.0_dp
14861  s_r_t2_1 = 0.0_dp
14862  s_r_t_2 = 0.0_dp
14863  s_r_t2_2 = 0.0_dp
14864  s_r_t_3 = 0.0_dp
14865  s_r_t2_3 = 0.0_dp
14866  s_r_t_4 = 0.0_dp
14867  s_r_t2_4 = 0.0_dp
14868  r_tmp = r_offset + r1*zeta/(zeta + zetb)
14869  rr2_delta = -r_tmp/dr
14870 
14871  rr2_l = ceiling(-r_c(2) + rr2_delta)
14872  rr2_r = floor(r_c(2) + rr2_delta)
14873 
14874  r = r_tmp + (rr2_l)*dr
14875 
14876 
14877  DO rr2 = rr2_l, rr2_r
14878  r_pow_t = 1.0_dp
14879  exp2_rsq = exp(-alpha*r*r)
14880  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
14881  r_pow_t = r_pow_t*r
14882  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
14883  r_pow_t = r_pow_t*r
14884  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
14885  r_pow_t = r_pow_t*r
14886  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
14887  r_pow_t = r_pow_t*r
14888  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
14889 
14890  r = r + dr
14891  END DO
14892 
14893  ! C --> H
14894  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
14895  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
14896  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
14897  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
14898  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
14899  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
14900  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
14901  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
14902  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
14903  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
14904  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
14905  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
14906  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
14907  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
14908  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
14909 
14910  ! H --> HH
14911  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
14912 
14913  c1 = 1.0_dp/(zeta + zetb)
14914  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
14915  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
14916 
14917  e_0_1_0 = zeta*( &
14918  +c2*e_0_0_0&
14919 
14920  )
14921  e_0_0_1 = zetb*( &
14922  +c3*e_0_0_0&
14923 
14924  )
14925  e_1_1_0 = zeta*( c1*e_0_0_0 &
14926 
14927 
14928  )
14929  e_1_0_1 = zetb*( c1*e_0_0_0 &
14930 
14931 
14932  )
14933  e_0_2_0 = zeta*( &
14934  +c2*e_0_1_0&
14935  +2*e_1_1_0 &
14936  -2*e_0_0_0)
14937  e_0_1_1 = zetb*( &
14938  +c3*e_0_1_0&
14939  +2*e_1_1_0 &
14940  )
14941  e_1_2_0 = zeta*( c1*e_0_1_0 &
14942  +c2*e_1_1_0&
14943 
14944  )
14945  e_1_1_1 = zetb*( c1*e_0_1_0 &
14946  +c3*e_1_1_0&
14947 
14948  )
14949  e_2_2_0 = zeta*( c1*e_1_1_0 &
14950 
14951 
14952  )
14953  e_2_1_1 = zetb*( c1*e_1_1_0 &
14954 
14955 
14956  )
14957  e_0_2_1 = zetb*( &
14958  +c3*e_0_2_0&
14959  +2*e_1_2_0 &
14960  )
14961  e_1_2_1 = zetb*( c1*e_0_2_0 &
14962  +c3*e_1_2_0&
14963  +4*e_2_2_0 &
14964  )
14965  e_2_2_1 = zetb*( c1*e_1_2_0 &
14966  +c3*e_2_2_0&
14967 
14968  )
14969  e_3_2_1 = zetb*( c1*e_2_2_0 &
14970 
14971 
14972  )
14973  e_0_1_1 = zeta*( &
14974  +c2*e_0_0_1&
14975  +2*e_1_0_1 &
14976  )
14977  e_1_1_1 = zeta*( c1*e_0_0_1 &
14978  +c2*e_1_0_1&
14979 
14980  )
14981  e_2_1_1 = zeta*( c1*e_1_0_1 &
14982 
14983 
14984  )
14985  e_0_2_1 = zeta*( &
14986  +c2*e_0_1_1&
14987  +2*e_1_1_1 &
14988  -2*e_0_0_1)
14989  e_1_2_1 = zeta*( c1*e_0_1_1 &
14990  +c2*e_1_1_1&
14991  +4*e_2_1_1 &
14992  -2*e_1_0_1)
14993  e_2_2_1 = zeta*( c1*e_1_1_1 &
14994  +c2*e_2_1_1&
14995 
14996  )
14997  e_3_2_1 = zeta*( c1*e_2_1_1 &
14998 
14999 
15000  )
15001 
15002  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
15003  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
15004  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
15005  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
15006  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
15007  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
15008  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
15009  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
15010  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
15011  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
15012  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
15013  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
15014  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
15015  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
15016  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
15017  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
15018  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
15019  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
15020  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
15021  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
15022  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
15023  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
15024  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
15025  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
15026  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
15027  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
15028  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
15029  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
15030  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
15031  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
15032  r1 = r1 + dr
15033  END DO
15034 
15035  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
15036  END SUBROUTINE
15037  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_1_2_exp_0 ( &
15038  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
15039  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
15040  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
15041  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
15042  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
15043  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
15044  r_pow_t, r_tmp, rr1_delta, rr2_delta
15045 
15046  REAL(kind=dp) :: c1, c2, c3
15047  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
15048  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
15049  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
15050  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
15051  & h_to_c_4_5, h_to_c_5_5
15052  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
15053  & e_1_2_1, e_2_2_1, e_3_2_1
15054 
15055 
15056  dr = lgth
15057  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
15058 
15059  s_r(:, :, :) = 0.0_dp
15060 
15061  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
15062 
15063  h_to_c_0_0 = sqrt(alpha/pi)
15064 
15065  h_to_c_0_1 = 0.0_dp
15066  h_to_c_1_1 = +2*alpha*h_to_c_0_0
15067  h_to_c_0_2 = -1*h_to_c_1_1
15068  h_to_c_1_2 = +2*alpha*h_to_c_0_1
15069  h_to_c_2_2 = +2*alpha*h_to_c_1_1
15070  h_to_c_0_3 = -1*h_to_c_1_2
15071  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
15072  h_to_c_2_3 = +2*alpha*h_to_c_1_2
15073  h_to_c_3_3 = +2*alpha*h_to_c_2_2
15074  h_to_c_0_4 = -1*h_to_c_1_3
15075  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
15076  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
15077  h_to_c_3_4 = +2*alpha*h_to_c_2_3
15078  h_to_c_4_4 = +2*alpha*h_to_c_3_3
15079  h_to_c_0_5 = -1*h_to_c_1_4
15080  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
15081  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
15082  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
15083  h_to_c_4_5 = +2*alpha*h_to_c_3_4
15084  h_to_c_5_5 = +2*alpha*h_to_c_4_4
15085 
15086 
15087  rr1_delta = (ra - rb)/dr
15088 
15089  rr1_l = ceiling(-r_c(1) + rr1_delta)
15090  rr1_r = floor(r_c(1) + rr1_delta)
15091 
15092  r1 = rr1_l*dr
15093 
15094  alpha_e = zeta*zetb/(zeta + zetb)
15095 
15096  DO rr1 = rr1_l, rr1_r
15097  s_r_t_0 = 0.0_dp
15098  s_r_t2_0 = 0.0_dp
15099  s_r_t_1 = 0.0_dp
15100  s_r_t2_1 = 0.0_dp
15101  s_r_t_2 = 0.0_dp
15102  s_r_t2_2 = 0.0_dp
15103  s_r_t_3 = 0.0_dp
15104  s_r_t2_3 = 0.0_dp
15105  s_r_t_4 = 0.0_dp
15106  s_r_t2_4 = 0.0_dp
15107  s_r_t_5 = 0.0_dp
15108  s_r_t2_5 = 0.0_dp
15109  r_tmp = r_offset + r1*zeta/(zeta + zetb)
15110  rr2_delta = -r_tmp/dr
15111 
15112  rr2_l = ceiling(-r_c(2) + rr2_delta)
15113  rr2_r = floor(r_c(2) + rr2_delta)
15114 
15115  r = r_tmp + (rr2_l)*dr
15116 
15117 
15118  DO rr2 = rr2_l, rr2_r
15119  r_pow_t = 1.0_dp
15120  exp2_rsq = exp(-alpha*r*r)
15121  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
15122  r_pow_t = r_pow_t*r
15123  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
15124  r_pow_t = r_pow_t*r
15125  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
15126  r_pow_t = r_pow_t*r
15127  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
15128  r_pow_t = r_pow_t*r
15129  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
15130  r_pow_t = r_pow_t*r
15131  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
15132 
15133  r = r + dr
15134  END DO
15135 
15136  ! C --> H
15137  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
15138  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
15139  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
15140  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
15141  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
15142  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
15143  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
15144  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
15145  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
15146  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
15147  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
15148  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
15149  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
15150  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
15151  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
15152  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
15153  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
15154  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
15155  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
15156  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
15157  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
15158 
15159  ! H --> HH
15160  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
15161 
15162  c1 = 1.0_dp/(zeta + zetb)
15163  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
15164  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
15165 
15166  e_0_1_0 = zeta*( &
15167  +c2*e_0_0_0&
15168 
15169  )
15170  e_0_0_1 = zetb*( &
15171  +c3*e_0_0_0&
15172 
15173  )
15174  e_1_1_0 = zeta*( c1*e_0_0_0 &
15175 
15176 
15177  )
15178  e_1_0_1 = zetb*( c1*e_0_0_0 &
15179 
15180 
15181  )
15182  e_0_2_0 = zeta*( &
15183  +c2*e_0_1_0&
15184  +2*e_1_1_0 &
15185  -2*e_0_0_0)
15186  e_0_1_1 = zetb*( &
15187  +c3*e_0_1_0&
15188  +2*e_1_1_0 &
15189  )
15190  e_1_2_0 = zeta*( c1*e_0_1_0 &
15191  +c2*e_1_1_0&
15192 
15193  )
15194  e_1_1_1 = zetb*( c1*e_0_1_0 &
15195  +c3*e_1_1_0&
15196 
15197  )
15198  e_2_2_0 = zeta*( c1*e_1_1_0 &
15199 
15200 
15201  )
15202  e_2_1_1 = zetb*( c1*e_1_1_0 &
15203 
15204 
15205  )
15206  e_0_2_1 = zetb*( &
15207  +c3*e_0_2_0&
15208  +2*e_1_2_0 &
15209  )
15210  e_1_2_1 = zetb*( c1*e_0_2_0 &
15211  +c3*e_1_2_0&
15212  +4*e_2_2_0 &
15213  )
15214  e_2_2_1 = zetb*( c1*e_1_2_0 &
15215  +c3*e_2_2_0&
15216 
15217  )
15218  e_3_2_1 = zetb*( c1*e_2_2_0 &
15219 
15220 
15221  )
15222  e_0_1_1 = zeta*( &
15223  +c2*e_0_0_1&
15224  +2*e_1_0_1 &
15225  )
15226  e_1_1_1 = zeta*( c1*e_0_0_1 &
15227  +c2*e_1_0_1&
15228 
15229  )
15230  e_2_1_1 = zeta*( c1*e_1_0_1 &
15231 
15232 
15233  )
15234  e_0_2_1 = zeta*( &
15235  +c2*e_0_1_1&
15236  +2*e_1_1_1 &
15237  -2*e_0_0_1)
15238  e_1_2_1 = zeta*( c1*e_0_1_1 &
15239  +c2*e_1_1_1&
15240  +4*e_2_1_1 &
15241  -2*e_1_0_1)
15242  e_2_2_1 = zeta*( c1*e_1_1_1 &
15243  +c2*e_2_1_1&
15244 
15245  )
15246  e_3_2_1 = zeta*( c1*e_2_1_1 &
15247 
15248 
15249  )
15250 
15251  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
15252  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
15253  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
15254  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
15255  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
15256  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
15257  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
15258  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
15259  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
15260  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
15261  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
15262  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
15263  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
15264  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
15265  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
15266  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
15267  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
15268  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
15269  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
15270  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
15271  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
15272  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
15273  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
15274  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
15275  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
15276  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
15277  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
15278  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
15279  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
15280  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
15281  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
15282  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
15283  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
15284  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
15285  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
15286  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
15287  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
15288  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
15289  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
15290  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
15291  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
15292  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
15293  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
15294  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
15295  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
15296  r1 = r1 + dr
15297  END DO
15298 
15299  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
15300  END SUBROUTINE
15301  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_1_3_exp_0 ( &
15302  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
15303  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
15304  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
15305  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
15306  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
15307  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
15308  r_pow_t, r_tmp, rr1_delta, rr2_delta
15309 
15310  REAL(kind=dp) :: c1, c2, c3
15311  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
15312  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
15313  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
15314  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
15315  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
15316  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
15317  & e_1_2_1, e_2_2_1, e_3_2_1
15318 
15319 
15320  dr = lgth
15321  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
15322 
15323  s_r(:, :, :) = 0.0_dp
15324 
15325  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
15326 
15327  h_to_c_0_0 = sqrt(alpha/pi)
15328 
15329  h_to_c_0_1 = 0.0_dp
15330  h_to_c_1_1 = +2*alpha*h_to_c_0_0
15331  h_to_c_0_2 = -1*h_to_c_1_1
15332  h_to_c_1_2 = +2*alpha*h_to_c_0_1
15333  h_to_c_2_2 = +2*alpha*h_to_c_1_1
15334  h_to_c_0_3 = -1*h_to_c_1_2
15335  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
15336  h_to_c_2_3 = +2*alpha*h_to_c_1_2
15337  h_to_c_3_3 = +2*alpha*h_to_c_2_2
15338  h_to_c_0_4 = -1*h_to_c_1_3
15339  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
15340  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
15341  h_to_c_3_4 = +2*alpha*h_to_c_2_3
15342  h_to_c_4_4 = +2*alpha*h_to_c_3_3
15343  h_to_c_0_5 = -1*h_to_c_1_4
15344  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
15345  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
15346  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
15347  h_to_c_4_5 = +2*alpha*h_to_c_3_4
15348  h_to_c_5_5 = +2*alpha*h_to_c_4_4
15349  h_to_c_0_6 = -1*h_to_c_1_5
15350  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
15351  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
15352  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
15353  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
15354  h_to_c_5_6 = +2*alpha*h_to_c_4_5
15355  h_to_c_6_6 = +2*alpha*h_to_c_5_5
15356 
15357 
15358  rr1_delta = (ra - rb)/dr
15359 
15360  rr1_l = ceiling(-r_c(1) + rr1_delta)
15361  rr1_r = floor(r_c(1) + rr1_delta)
15362 
15363  r1 = rr1_l*dr
15364 
15365  alpha_e = zeta*zetb/(zeta + zetb)
15366 
15367  DO rr1 = rr1_l, rr1_r
15368  s_r_t_0 = 0.0_dp
15369  s_r_t2_0 = 0.0_dp
15370  s_r_t_1 = 0.0_dp
15371  s_r_t2_1 = 0.0_dp
15372  s_r_t_2 = 0.0_dp
15373  s_r_t2_2 = 0.0_dp
15374  s_r_t_3 = 0.0_dp
15375  s_r_t2_3 = 0.0_dp
15376  s_r_t_4 = 0.0_dp
15377  s_r_t2_4 = 0.0_dp
15378  s_r_t_5 = 0.0_dp
15379  s_r_t2_5 = 0.0_dp
15380  s_r_t_6 = 0.0_dp
15381  s_r_t2_6 = 0.0_dp
15382  r_tmp = r_offset + r1*zeta/(zeta + zetb)
15383  rr2_delta = -r_tmp/dr
15384 
15385  rr2_l = ceiling(-r_c(2) + rr2_delta)
15386  rr2_r = floor(r_c(2) + rr2_delta)
15387 
15388  r = r_tmp + (rr2_l)*dr
15389 
15390 
15391  DO rr2 = rr2_l, rr2_r
15392  r_pow_t = 1.0_dp
15393  exp2_rsq = exp(-alpha*r*r)
15394  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
15395  r_pow_t = r_pow_t*r
15396  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
15397  r_pow_t = r_pow_t*r
15398  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
15399  r_pow_t = r_pow_t*r
15400  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
15401  r_pow_t = r_pow_t*r
15402  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
15403  r_pow_t = r_pow_t*r
15404  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
15405  r_pow_t = r_pow_t*r
15406  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
15407 
15408  r = r + dr
15409  END DO
15410 
15411  ! C --> H
15412  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
15413  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
15414  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
15415  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
15416  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
15417  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
15418  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
15419  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
15420  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
15421  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
15422  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
15423  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
15424  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
15425  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
15426  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
15427  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
15428  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
15429  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
15430  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
15431  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
15432  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
15433  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
15434  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
15435  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
15436  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
15437  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
15438  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
15439  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
15440 
15441  ! H --> HH
15442  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
15443 
15444  c1 = 1.0_dp/(zeta + zetb)
15445  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
15446  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
15447 
15448  e_0_1_0 = zeta*( &
15449  +c2*e_0_0_0&
15450 
15451  )
15452  e_0_0_1 = zetb*( &
15453  +c3*e_0_0_0&
15454 
15455  )
15456  e_1_1_0 = zeta*( c1*e_0_0_0 &
15457 
15458 
15459  )
15460  e_1_0_1 = zetb*( c1*e_0_0_0 &
15461 
15462 
15463  )
15464  e_0_2_0 = zeta*( &
15465  +c2*e_0_1_0&
15466  +2*e_1_1_0 &
15467  -2*e_0_0_0)
15468  e_0_1_1 = zetb*( &
15469  +c3*e_0_1_0&
15470  +2*e_1_1_0 &
15471  )
15472  e_1_2_0 = zeta*( c1*e_0_1_0 &
15473  +c2*e_1_1_0&
15474 
15475  )
15476  e_1_1_1 = zetb*( c1*e_0_1_0 &
15477  +c3*e_1_1_0&
15478 
15479  )
15480  e_2_2_0 = zeta*( c1*e_1_1_0 &
15481 
15482 
15483  )
15484  e_2_1_1 = zetb*( c1*e_1_1_0 &
15485 
15486 
15487  )
15488  e_0_2_1 = zetb*( &
15489  +c3*e_0_2_0&
15490  +2*e_1_2_0 &
15491  )
15492  e_1_2_1 = zetb*( c1*e_0_2_0 &
15493  +c3*e_1_2_0&
15494  +4*e_2_2_0 &
15495  )
15496  e_2_2_1 = zetb*( c1*e_1_2_0 &
15497  +c3*e_2_2_0&
15498 
15499  )
15500  e_3_2_1 = zetb*( c1*e_2_2_0 &
15501 
15502 
15503  )
15504  e_0_1_1 = zeta*( &
15505  +c2*e_0_0_1&
15506  +2*e_1_0_1 &
15507  )
15508  e_1_1_1 = zeta*( c1*e_0_0_1 &
15509  +c2*e_1_0_1&
15510 
15511  )
15512  e_2_1_1 = zeta*( c1*e_1_0_1 &
15513 
15514 
15515  )
15516  e_0_2_1 = zeta*( &
15517  +c2*e_0_1_1&
15518  +2*e_1_1_1 &
15519  -2*e_0_0_1)
15520  e_1_2_1 = zeta*( c1*e_0_1_1 &
15521  +c2*e_1_1_1&
15522  +4*e_2_1_1 &
15523  -2*e_1_0_1)
15524  e_2_2_1 = zeta*( c1*e_1_1_1 &
15525  +c2*e_2_1_1&
15526 
15527  )
15528  e_3_2_1 = zeta*( c1*e_2_1_1 &
15529 
15530 
15531  )
15532 
15533  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
15534  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
15535  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
15536  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
15537  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
15538  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
15539  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
15540  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
15541  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
15542  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
15543  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
15544  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
15545  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
15546  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
15547  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
15548  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
15549  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
15550  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
15551  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
15552  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
15553  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
15554  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
15555  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
15556  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
15557  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
15558  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
15559  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
15560  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
15561  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
15562  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
15563  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
15564  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
15565  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
15566  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
15567  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
15568  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
15569  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
15570  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
15571  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
15572  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
15573  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
15574  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
15575  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
15576  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
15577  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
15578  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
15579  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
15580  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
15581  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
15582  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
15583  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
15584  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
15585  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
15586  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
15587  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
15588  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
15589  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
15590  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
15591  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
15592  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
15593  r1 = r1 + dr
15594  END DO
15595 
15596  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
15597  END SUBROUTINE
15598  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_1_4_exp_0 ( &
15599  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
15600  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
15601  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
15602  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
15603  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
15604  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
15605  r_pow_t, r_tmp, rr1_delta, rr2_delta
15606 
15607  REAL(kind=dp) :: c1, c2, c3
15608  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
15609  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
15610  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
15611  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
15612  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
15613  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
15614  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
15615  & e_1_2_1, e_2_2_1, e_3_2_1
15616 
15617 
15618  dr = lgth
15619  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
15620 
15621  s_r(:, :, :) = 0.0_dp
15622 
15623  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
15624 
15625  h_to_c_0_0 = sqrt(alpha/pi)
15626 
15627  h_to_c_0_1 = 0.0_dp
15628  h_to_c_1_1 = +2*alpha*h_to_c_0_0
15629  h_to_c_0_2 = -1*h_to_c_1_1
15630  h_to_c_1_2 = +2*alpha*h_to_c_0_1
15631  h_to_c_2_2 = +2*alpha*h_to_c_1_1
15632  h_to_c_0_3 = -1*h_to_c_1_2
15633  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
15634  h_to_c_2_3 = +2*alpha*h_to_c_1_2
15635  h_to_c_3_3 = +2*alpha*h_to_c_2_2
15636  h_to_c_0_4 = -1*h_to_c_1_3
15637  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
15638  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
15639  h_to_c_3_4 = +2*alpha*h_to_c_2_3
15640  h_to_c_4_4 = +2*alpha*h_to_c_3_3
15641  h_to_c_0_5 = -1*h_to_c_1_4
15642  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
15643  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
15644  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
15645  h_to_c_4_5 = +2*alpha*h_to_c_3_4
15646  h_to_c_5_5 = +2*alpha*h_to_c_4_4
15647  h_to_c_0_6 = -1*h_to_c_1_5
15648  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
15649  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
15650  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
15651  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
15652  h_to_c_5_6 = +2*alpha*h_to_c_4_5
15653  h_to_c_6_6 = +2*alpha*h_to_c_5_5
15654  h_to_c_0_7 = -1*h_to_c_1_6
15655  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
15656  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
15657  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
15658  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
15659  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
15660  h_to_c_6_7 = +2*alpha*h_to_c_5_6
15661  h_to_c_7_7 = +2*alpha*h_to_c_6_6
15662 
15663 
15664  rr1_delta = (ra - rb)/dr
15665 
15666  rr1_l = ceiling(-r_c(1) + rr1_delta)
15667  rr1_r = floor(r_c(1) + rr1_delta)
15668 
15669  r1 = rr1_l*dr
15670 
15671  alpha_e = zeta*zetb/(zeta + zetb)
15672 
15673  DO rr1 = rr1_l, rr1_r
15674  s_r_t_0 = 0.0_dp
15675  s_r_t2_0 = 0.0_dp
15676  s_r_t_1 = 0.0_dp
15677  s_r_t2_1 = 0.0_dp
15678  s_r_t_2 = 0.0_dp
15679  s_r_t2_2 = 0.0_dp
15680  s_r_t_3 = 0.0_dp
15681  s_r_t2_3 = 0.0_dp
15682  s_r_t_4 = 0.0_dp
15683  s_r_t2_4 = 0.0_dp
15684  s_r_t_5 = 0.0_dp
15685  s_r_t2_5 = 0.0_dp
15686  s_r_t_6 = 0.0_dp
15687  s_r_t2_6 = 0.0_dp
15688  s_r_t_7 = 0.0_dp
15689  s_r_t2_7 = 0.0_dp
15690  r_tmp = r_offset + r1*zeta/(zeta + zetb)
15691  rr2_delta = -r_tmp/dr
15692 
15693  rr2_l = ceiling(-r_c(2) + rr2_delta)
15694  rr2_r = floor(r_c(2) + rr2_delta)
15695 
15696  r = r_tmp + (rr2_l)*dr
15697 
15698 
15699  DO rr2 = rr2_l, rr2_r
15700  r_pow_t = 1.0_dp
15701  exp2_rsq = exp(-alpha*r*r)
15702  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
15703  r_pow_t = r_pow_t*r
15704  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
15705  r_pow_t = r_pow_t*r
15706  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
15707  r_pow_t = r_pow_t*r
15708  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
15709  r_pow_t = r_pow_t*r
15710  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
15711  r_pow_t = r_pow_t*r
15712  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
15713  r_pow_t = r_pow_t*r
15714  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
15715  r_pow_t = r_pow_t*r
15716  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
15717 
15718  r = r + dr
15719  END DO
15720 
15721  ! C --> H
15722  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
15723  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
15724  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
15725  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
15726  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
15727  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
15728  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
15729  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
15730  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
15731  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
15732  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
15733  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
15734  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
15735  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
15736  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
15737  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
15738  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
15739  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
15740  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
15741  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
15742  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
15743  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
15744  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
15745  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
15746  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
15747  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
15748  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
15749  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
15750  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
15751  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
15752  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
15753  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
15754  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
15755  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
15756  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
15757  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
15758 
15759  ! H --> HH
15760  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
15761 
15762  c1 = 1.0_dp/(zeta + zetb)
15763  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
15764  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
15765 
15766  e_0_1_0 = zeta*( &
15767  +c2*e_0_0_0&
15768 
15769  )
15770  e_0_0_1 = zetb*( &
15771  +c3*e_0_0_0&
15772 
15773  )
15774  e_1_1_0 = zeta*( c1*e_0_0_0 &
15775 
15776 
15777  )
15778  e_1_0_1 = zetb*( c1*e_0_0_0 &
15779 
15780 
15781  )
15782  e_0_2_0 = zeta*( &
15783  +c2*e_0_1_0&
15784  +2*e_1_1_0 &
15785  -2*e_0_0_0)
15786  e_0_1_1 = zetb*( &
15787  +c3*e_0_1_0&
15788  +2*e_1_1_0 &
15789  )
15790  e_1_2_0 = zeta*( c1*e_0_1_0 &
15791  +c2*e_1_1_0&
15792 
15793  )
15794  e_1_1_1 = zetb*( c1*e_0_1_0 &
15795  +c3*e_1_1_0&
15796 
15797  )
15798  e_2_2_0 = zeta*( c1*e_1_1_0 &
15799 
15800 
15801  )
15802  e_2_1_1 = zetb*( c1*e_1_1_0 &
15803 
15804 
15805  )
15806  e_0_2_1 = zetb*( &
15807  +c3*e_0_2_0&
15808  +2*e_1_2_0 &
15809  )
15810  e_1_2_1 = zetb*( c1*e_0_2_0 &
15811  +c3*e_1_2_0&
15812  +4*e_2_2_0 &
15813  )
15814  e_2_2_1 = zetb*( c1*e_1_2_0 &
15815  +c3*e_2_2_0&
15816 
15817  )
15818  e_3_2_1 = zetb*( c1*e_2_2_0 &
15819 
15820 
15821  )
15822  e_0_1_1 = zeta*( &
15823  +c2*e_0_0_1&
15824  +2*e_1_0_1 &
15825  )
15826  e_1_1_1 = zeta*( c1*e_0_0_1 &
15827  +c2*e_1_0_1&
15828 
15829  )
15830  e_2_1_1 = zeta*( c1*e_1_0_1 &
15831 
15832 
15833  )
15834  e_0_2_1 = zeta*( &
15835  +c2*e_0_1_1&
15836  +2*e_1_1_1 &
15837  -2*e_0_0_1)
15838  e_1_2_1 = zeta*( c1*e_0_1_1 &
15839  +c2*e_1_1_1&
15840  +4*e_2_1_1 &
15841  -2*e_1_0_1)
15842  e_2_2_1 = zeta*( c1*e_1_1_1 &
15843  +c2*e_2_1_1&
15844 
15845  )
15846  e_3_2_1 = zeta*( c1*e_2_1_1 &
15847 
15848 
15849  )
15850 
15851  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
15852  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
15853  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
15854  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
15855  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
15856  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
15857  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
15858  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
15859  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
15860  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
15861  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
15862  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
15863  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
15864  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
15865  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
15866  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
15867  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
15868  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
15869  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
15870  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
15871  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
15872  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
15873  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
15874  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
15875  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
15876  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
15877  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
15878  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
15879  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
15880  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
15881  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
15882  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
15883  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
15884  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
15885  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
15886  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
15887  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
15888  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
15889  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
15890  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
15891  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
15892  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
15893  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
15894  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
15895  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
15896  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
15897  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
15898  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
15899  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
15900  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
15901  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
15902  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
15903  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
15904  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
15905  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
15906  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
15907  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
15908  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
15909  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
15910  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
15911  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
15912  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
15913  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
15914  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
15915  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
15916  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
15917  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
15918  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
15919  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
15920  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
15921  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
15922  s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
15923  s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
15924  s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
15925  s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
15926  r1 = r1 + dr
15927  END DO
15928 
15929  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
15930  END SUBROUTINE
15931  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_2_0_exp_0 ( &
15932  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
15933  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
15934  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
15935  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
15936  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
15937  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
15938  r_pow_t, r_tmp, rr1_delta, rr2_delta
15939 
15940  REAL(kind=dp) :: c1, c2, c3
15941  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
15942  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
15943  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
15944  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
15945  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
15946  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
15947  & e_3_2_2, e_4_2_2
15948 
15949 
15950  dr = lgth
15951  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
15952 
15953  s_r(:, :, :) = 0.0_dp
15954 
15955  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
15956 
15957  h_to_c_0_0 = sqrt(alpha/pi)
15958 
15959  h_to_c_0_1 = 0.0_dp
15960  h_to_c_1_1 = +2*alpha*h_to_c_0_0
15961  h_to_c_0_2 = -1*h_to_c_1_1
15962  h_to_c_1_2 = +2*alpha*h_to_c_0_1
15963  h_to_c_2_2 = +2*alpha*h_to_c_1_1
15964  h_to_c_0_3 = -1*h_to_c_1_2
15965  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
15966  h_to_c_2_3 = +2*alpha*h_to_c_1_2
15967  h_to_c_3_3 = +2*alpha*h_to_c_2_2
15968  h_to_c_0_4 = -1*h_to_c_1_3
15969  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
15970  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
15971  h_to_c_3_4 = +2*alpha*h_to_c_2_3
15972  h_to_c_4_4 = +2*alpha*h_to_c_3_3
15973 
15974 
15975  rr1_delta = (ra - rb)/dr
15976 
15977  rr1_l = ceiling(-r_c(1) + rr1_delta)
15978  rr1_r = floor(r_c(1) + rr1_delta)
15979 
15980  r1 = rr1_l*dr
15981 
15982  alpha_e = zeta*zetb/(zeta + zetb)
15983 
15984  DO rr1 = rr1_l, rr1_r
15985  s_r_t_0 = 0.0_dp
15986  s_r_t2_0 = 0.0_dp
15987  s_r_t_1 = 0.0_dp
15988  s_r_t2_1 = 0.0_dp
15989  s_r_t_2 = 0.0_dp
15990  s_r_t2_2 = 0.0_dp
15991  s_r_t_3 = 0.0_dp
15992  s_r_t2_3 = 0.0_dp
15993  s_r_t_4 = 0.0_dp
15994  s_r_t2_4 = 0.0_dp
15995  r_tmp = r_offset + r1*zeta/(zeta + zetb)
15996  rr2_delta = -r_tmp/dr
15997 
15998  rr2_l = ceiling(-r_c(2) + rr2_delta)
15999  rr2_r = floor(r_c(2) + rr2_delta)
16000 
16001  r = r_tmp + (rr2_l)*dr
16002 
16003 
16004  DO rr2 = rr2_l, rr2_r
16005  r_pow_t = 1.0_dp
16006  exp2_rsq = exp(-alpha*r*r)
16007  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
16008  r_pow_t = r_pow_t*r
16009  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
16010  r_pow_t = r_pow_t*r
16011  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
16012  r_pow_t = r_pow_t*r
16013  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
16014  r_pow_t = r_pow_t*r
16015  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
16016 
16017  r = r + dr
16018  END DO
16019 
16020  ! C --> H
16021  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
16022  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
16023  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
16024  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
16025  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
16026  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
16027  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
16028  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
16029  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
16030  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
16031  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
16032  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
16033  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
16034  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
16035  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
16036 
16037  ! H --> HH
16038  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
16039 
16040  c1 = 1.0_dp/(zeta + zetb)
16041  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
16042  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
16043 
16044  e_0_1_0 = zeta*( &
16045  +c2*e_0_0_0&
16046 
16047  )
16048  e_0_0_1 = zetb*( &
16049  +c3*e_0_0_0&
16050 
16051  )
16052  e_1_1_0 = zeta*( c1*e_0_0_0 &
16053 
16054 
16055  )
16056  e_1_0_1 = zetb*( c1*e_0_0_0 &
16057 
16058 
16059  )
16060  e_0_2_0 = zeta*( &
16061  +c2*e_0_1_0&
16062  +2*e_1_1_0 &
16063  -2*e_0_0_0)
16064  e_0_1_1 = zetb*( &
16065  +c3*e_0_1_0&
16066  +2*e_1_1_0 &
16067  )
16068  e_1_2_0 = zeta*( c1*e_0_1_0 &
16069  +c2*e_1_1_0&
16070 
16071  )
16072  e_1_1_1 = zetb*( c1*e_0_1_0 &
16073  +c3*e_1_1_0&
16074 
16075  )
16076  e_2_2_0 = zeta*( c1*e_1_1_0 &
16077 
16078 
16079  )
16080  e_2_1_1 = zetb*( c1*e_1_1_0 &
16081 
16082 
16083  )
16084  e_0_2_1 = zetb*( &
16085  +c3*e_0_2_0&
16086  +2*e_1_2_0 &
16087  )
16088  e_1_2_1 = zetb*( c1*e_0_2_0 &
16089  +c3*e_1_2_0&
16090  +4*e_2_2_0 &
16091  )
16092  e_2_2_1 = zetb*( c1*e_1_2_0 &
16093  +c3*e_2_2_0&
16094 
16095  )
16096  e_3_2_1 = zetb*( c1*e_2_2_0 &
16097 
16098 
16099  )
16100  e_0_1_1 = zeta*( &
16101  +c2*e_0_0_1&
16102  +2*e_1_0_1 &
16103  )
16104  e_0_0_2 = zetb*( &
16105  +c3*e_0_0_1&
16106  +2*e_1_0_1 &
16107  -2*e_0_0_0)
16108  e_1_1_1 = zeta*( c1*e_0_0_1 &
16109  +c2*e_1_0_1&
16110 
16111  )
16112  e_1_0_2 = zetb*( c1*e_0_0_1 &
16113  +c3*e_1_0_1&
16114 
16115  )
16116  e_2_1_1 = zeta*( c1*e_1_0_1 &
16117 
16118 
16119  )
16120  e_2_0_2 = zetb*( c1*e_1_0_1 &
16121 
16122 
16123  )
16124  e_0_2_1 = zeta*( &
16125  +c2*e_0_1_1&
16126  +2*e_1_1_1 &
16127  -2*e_0_0_1)
16128  e_0_1_2 = zetb*( &
16129  +c3*e_0_1_1&
16130  +2*e_1_1_1 &
16131  -2*e_0_1_0)
16132  e_1_2_1 = zeta*( c1*e_0_1_1 &
16133  +c2*e_1_1_1&
16134  +4*e_2_1_1 &
16135  -2*e_1_0_1)
16136  e_1_1_2 = zetb*( c1*e_0_1_1 &
16137  +c3*e_1_1_1&
16138  +4*e_2_1_1 &
16139  -2*e_1_1_0)
16140  e_2_2_1 = zeta*( c1*e_1_1_1 &
16141  +c2*e_2_1_1&
16142 
16143  )
16144  e_2_1_2 = zetb*( c1*e_1_1_1 &
16145  +c3*e_2_1_1&
16146 
16147  )
16148  e_3_2_1 = zeta*( c1*e_2_1_1 &
16149 
16150 
16151  )
16152  e_3_1_2 = zetb*( c1*e_2_1_1 &
16153 
16154 
16155  )
16156  e_0_2_2 = zetb*( &
16157  +c3*e_0_2_1&
16158  +2*e_1_2_1 &
16159  -2*e_0_2_0)
16160  e_1_2_2 = zetb*( c1*e_0_2_1 &
16161  +c3*e_1_2_1&
16162  +4*e_2_2_1 &
16163  -2*e_1_2_0)
16164  e_2_2_2 = zetb*( c1*e_1_2_1 &
16165  +c3*e_2_2_1&
16166  +6*e_3_2_1 &
16167  -2*e_2_2_0)
16168  e_3_2_2 = zetb*( c1*e_2_2_1 &
16169  +c3*e_3_2_1&
16170 
16171  )
16172  e_4_2_2 = zetb*( c1*e_3_2_1 &
16173 
16174 
16175  )
16176  e_0_1_2 = zeta*( &
16177  +c2*e_0_0_2&
16178  +2*e_1_0_2 &
16179  )
16180  e_1_1_2 = zeta*( c1*e_0_0_2 &
16181  +c2*e_1_0_2&
16182  +4*e_2_0_2 &
16183  )
16184  e_2_1_2 = zeta*( c1*e_1_0_2 &
16185  +c2*e_2_0_2&
16186 
16187  )
16188  e_3_1_2 = zeta*( c1*e_2_0_2 &
16189 
16190 
16191  )
16192  e_0_2_2 = zeta*( &
16193  +c2*e_0_1_2&
16194  +2*e_1_1_2 &
16195  -2*e_0_0_2)
16196  e_1_2_2 = zeta*( c1*e_0_1_2 &
16197  +c2*e_1_1_2&
16198  +4*e_2_1_2 &
16199  -2*e_1_0_2)
16200  e_2_2_2 = zeta*( c1*e_1_1_2 &
16201  +c2*e_2_1_2&
16202  +6*e_3_1_2 &
16203  -2*e_2_0_2)
16204  e_3_2_2 = zeta*( c1*e_2_1_2 &
16205  +c2*e_3_1_2&
16206 
16207  )
16208  e_4_2_2 = zeta*( c1*e_3_1_2 &
16209 
16210 
16211  )
16212 
16213  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
16214  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
16215  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
16216  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
16217  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
16218  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
16219  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
16220  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
16221  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
16222  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
16223  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
16224  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
16225  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
16226  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
16227  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
16228  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
16229  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
16230  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
16231  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
16232  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
16233  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
16234  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
16235  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
16236  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
16237  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
16238  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
16239  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
16240  r1 = r1 + dr
16241  END DO
16242 
16243  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
16244  END SUBROUTINE
16245  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_2_1_exp_0 ( &
16246  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
16247  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
16248  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
16249  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
16250  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
16251  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
16252  r_pow_t, r_tmp, rr1_delta, rr2_delta
16253 
16254  REAL(kind=dp) :: c1, c2, c3
16255  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
16256  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
16257  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
16258  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
16259  & h_to_c_4_5, h_to_c_5_5
16260  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
16261  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
16262  & e_3_2_2, e_4_2_2
16263 
16264 
16265  dr = lgth
16266  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
16267 
16268  s_r(:, :, :) = 0.0_dp
16269 
16270  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
16271 
16272  h_to_c_0_0 = sqrt(alpha/pi)
16273 
16274  h_to_c_0_1 = 0.0_dp
16275  h_to_c_1_1 = +2*alpha*h_to_c_0_0
16276  h_to_c_0_2 = -1*h_to_c_1_1
16277  h_to_c_1_2 = +2*alpha*h_to_c_0_1
16278  h_to_c_2_2 = +2*alpha*h_to_c_1_1
16279  h_to_c_0_3 = -1*h_to_c_1_2
16280  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
16281  h_to_c_2_3 = +2*alpha*h_to_c_1_2
16282  h_to_c_3_3 = +2*alpha*h_to_c_2_2
16283  h_to_c_0_4 = -1*h_to_c_1_3
16284  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
16285  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
16286  h_to_c_3_4 = +2*alpha*h_to_c_2_3
16287  h_to_c_4_4 = +2*alpha*h_to_c_3_3
16288  h_to_c_0_5 = -1*h_to_c_1_4
16289  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
16290  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
16291  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
16292  h_to_c_4_5 = +2*alpha*h_to_c_3_4
16293  h_to_c_5_5 = +2*alpha*h_to_c_4_4
16294 
16295 
16296  rr1_delta = (ra - rb)/dr
16297 
16298  rr1_l = ceiling(-r_c(1) + rr1_delta)
16299  rr1_r = floor(r_c(1) + rr1_delta)
16300 
16301  r1 = rr1_l*dr
16302 
16303  alpha_e = zeta*zetb/(zeta + zetb)
16304 
16305  DO rr1 = rr1_l, rr1_r
16306  s_r_t_0 = 0.0_dp
16307  s_r_t2_0 = 0.0_dp
16308  s_r_t_1 = 0.0_dp
16309  s_r_t2_1 = 0.0_dp
16310  s_r_t_2 = 0.0_dp
16311  s_r_t2_2 = 0.0_dp
16312  s_r_t_3 = 0.0_dp
16313  s_r_t2_3 = 0.0_dp
16314  s_r_t_4 = 0.0_dp
16315  s_r_t2_4 = 0.0_dp
16316  s_r_t_5 = 0.0_dp
16317  s_r_t2_5 = 0.0_dp
16318  r_tmp = r_offset + r1*zeta/(zeta + zetb)
16319  rr2_delta = -r_tmp/dr
16320 
16321  rr2_l = ceiling(-r_c(2) + rr2_delta)
16322  rr2_r = floor(r_c(2) + rr2_delta)
16323 
16324  r = r_tmp + (rr2_l)*dr
16325 
16326 
16327  DO rr2 = rr2_l, rr2_r
16328  r_pow_t = 1.0_dp
16329  exp2_rsq = exp(-alpha*r*r)
16330  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
16331  r_pow_t = r_pow_t*r
16332  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
16333  r_pow_t = r_pow_t*r
16334  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
16335  r_pow_t = r_pow_t*r
16336  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
16337  r_pow_t = r_pow_t*r
16338  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
16339  r_pow_t = r_pow_t*r
16340  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
16341 
16342  r = r + dr
16343  END DO
16344 
16345  ! C --> H
16346  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
16347  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
16348  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
16349  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
16350  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
16351  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
16352  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
16353  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
16354  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
16355  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
16356  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
16357  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
16358  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
16359  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
16360  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
16361  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
16362  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
16363  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
16364  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
16365  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
16366  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
16367 
16368  ! H --> HH
16369  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
16370 
16371  c1 = 1.0_dp/(zeta + zetb)
16372  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
16373  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
16374 
16375  e_0_1_0 = zeta*( &
16376  +c2*e_0_0_0&
16377 
16378  )
16379  e_0_0_1 = zetb*( &
16380  +c3*e_0_0_0&
16381 
16382  )
16383  e_1_1_0 = zeta*( c1*e_0_0_0 &
16384 
16385 
16386  )
16387  e_1_0_1 = zetb*( c1*e_0_0_0 &
16388 
16389 
16390  )
16391  e_0_2_0 = zeta*( &
16392  +c2*e_0_1_0&
16393  +2*e_1_1_0 &
16394  -2*e_0_0_0)
16395  e_0_1_1 = zetb*( &
16396  +c3*e_0_1_0&
16397  +2*e_1_1_0 &
16398  )
16399  e_1_2_0 = zeta*( c1*e_0_1_0 &
16400  +c2*e_1_1_0&
16401 
16402  )
16403  e_1_1_1 = zetb*( c1*e_0_1_0 &
16404  +c3*e_1_1_0&
16405 
16406  )
16407  e_2_2_0 = zeta*( c1*e_1_1_0 &
16408 
16409 
16410  )
16411  e_2_1_1 = zetb*( c1*e_1_1_0 &
16412 
16413 
16414  )
16415  e_0_2_1 = zetb*( &
16416  +c3*e_0_2_0&
16417  +2*e_1_2_0 &
16418  )
16419  e_1_2_1 = zetb*( c1*e_0_2_0 &
16420  +c3*e_1_2_0&
16421  +4*e_2_2_0 &
16422  )
16423  e_2_2_1 = zetb*( c1*e_1_2_0 &
16424  +c3*e_2_2_0&
16425 
16426  )
16427  e_3_2_1 = zetb*( c1*e_2_2_0 &
16428 
16429 
16430  )
16431  e_0_1_1 = zeta*( &
16432  +c2*e_0_0_1&
16433  +2*e_1_0_1 &
16434  )
16435  e_0_0_2 = zetb*( &
16436  +c3*e_0_0_1&
16437  +2*e_1_0_1 &
16438  -2*e_0_0_0)
16439  e_1_1_1 = zeta*( c1*e_0_0_1 &
16440  +c2*e_1_0_1&
16441 
16442  )
16443  e_1_0_2 = zetb*( c1*e_0_0_1 &
16444  +c3*e_1_0_1&
16445 
16446  )
16447  e_2_1_1 = zeta*( c1*e_1_0_1 &
16448 
16449 
16450  )
16451  e_2_0_2 = zetb*( c1*e_1_0_1 &
16452 
16453 
16454  )
16455  e_0_2_1 = zeta*( &
16456  +c2*e_0_1_1&
16457  +2*e_1_1_1 &
16458  -2*e_0_0_1)
16459  e_0_1_2 = zetb*( &
16460  +c3*e_0_1_1&
16461  +2*e_1_1_1 &
16462  -2*e_0_1_0)
16463  e_1_2_1 = zeta*( c1*e_0_1_1 &
16464  +c2*e_1_1_1&
16465  +4*e_2_1_1 &
16466  -2*e_1_0_1)
16467  e_1_1_2 = zetb*( c1*e_0_1_1 &
16468  +c3*e_1_1_1&
16469  +4*e_2_1_1 &
16470  -2*e_1_1_0)
16471  e_2_2_1 = zeta*( c1*e_1_1_1 &
16472  +c2*e_2_1_1&
16473 
16474  )
16475  e_2_1_2 = zetb*( c1*e_1_1_1 &
16476  +c3*e_2_1_1&
16477 
16478  )
16479  e_3_2_1 = zeta*( c1*e_2_1_1 &
16480 
16481 
16482  )
16483  e_3_1_2 = zetb*( c1*e_2_1_1 &
16484 
16485 
16486  )
16487  e_0_2_2 = zetb*( &
16488  +c3*e_0_2_1&
16489  +2*e_1_2_1 &
16490  -2*e_0_2_0)
16491  e_1_2_2 = zetb*( c1*e_0_2_1 &
16492  +c3*e_1_2_1&
16493  +4*e_2_2_1 &
16494  -2*e_1_2_0)
16495  e_2_2_2 = zetb*( c1*e_1_2_1 &
16496  +c3*e_2_2_1&
16497  +6*e_3_2_1 &
16498  -2*e_2_2_0)
16499  e_3_2_2 = zetb*( c1*e_2_2_1 &
16500  +c3*e_3_2_1&
16501 
16502  )
16503  e_4_2_2 = zetb*( c1*e_3_2_1 &
16504 
16505 
16506  )
16507  e_0_1_2 = zeta*( &
16508  +c2*e_0_0_2&
16509  +2*e_1_0_2 &
16510  )
16511  e_1_1_2 = zeta*( c1*e_0_0_2 &
16512  +c2*e_1_0_2&
16513  +4*e_2_0_2 &
16514  )
16515  e_2_1_2 = zeta*( c1*e_1_0_2 &
16516  +c2*e_2_0_2&
16517 
16518  )
16519  e_3_1_2 = zeta*( c1*e_2_0_2 &
16520 
16521 
16522  )
16523  e_0_2_2 = zeta*( &
16524  +c2*e_0_1_2&
16525  +2*e_1_1_2 &
16526  -2*e_0_0_2)
16527  e_1_2_2 = zeta*( c1*e_0_1_2 &
16528  +c2*e_1_1_2&
16529  +4*e_2_1_2 &
16530  -2*e_1_0_2)
16531  e_2_2_2 = zeta*( c1*e_1_1_2 &
16532  +c2*e_2_1_2&
16533  +6*e_3_1_2 &
16534  -2*e_2_0_2)
16535  e_3_2_2 = zeta*( c1*e_2_1_2 &
16536  +c2*e_3_1_2&
16537 
16538  )
16539  e_4_2_2 = zeta*( c1*e_3_1_2 &
16540 
16541 
16542  )
16543 
16544  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
16545  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
16546  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
16547  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
16548  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
16549  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
16550  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
16551  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
16552  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
16553  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
16554  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
16555  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
16556  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
16557  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
16558  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
16559  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
16560  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
16561  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
16562  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
16563  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
16564  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
16565  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
16566  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
16567  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
16568  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
16569  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
16570  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
16571  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
16572  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
16573  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
16574  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
16575  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
16576  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
16577  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
16578  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
16579  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
16580  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
16581  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
16582  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
16583  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
16584  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
16585  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
16586  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
16587  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
16588  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
16589  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
16590  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
16591  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
16592  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
16593  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
16594  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
16595  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
16596  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
16597  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
16598  r1 = r1 + dr
16599  END DO
16600 
16601  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
16602  END SUBROUTINE
16603  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_2_2_exp_0 ( &
16604  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
16605  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
16606  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
16607  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
16608  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
16609  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
16610  r_pow_t, r_tmp, rr1_delta, rr2_delta
16611 
16612  REAL(kind=dp) :: c1, c2, c3
16613  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
16614  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
16615  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
16616  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
16617  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
16618  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
16619  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
16620  & e_3_2_2, e_4_2_2
16621 
16622 
16623  dr = lgth
16624  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
16625 
16626  s_r(:, :, :) = 0.0_dp
16627 
16628  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
16629 
16630  h_to_c_0_0 = sqrt(alpha/pi)
16631 
16632  h_to_c_0_1 = 0.0_dp
16633  h_to_c_1_1 = +2*alpha*h_to_c_0_0
16634  h_to_c_0_2 = -1*h_to_c_1_1
16635  h_to_c_1_2 = +2*alpha*h_to_c_0_1
16636  h_to_c_2_2 = +2*alpha*h_to_c_1_1
16637  h_to_c_0_3 = -1*h_to_c_1_2
16638  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
16639  h_to_c_2_3 = +2*alpha*h_to_c_1_2
16640  h_to_c_3_3 = +2*alpha*h_to_c_2_2
16641  h_to_c_0_4 = -1*h_to_c_1_3
16642  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
16643  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
16644  h_to_c_3_4 = +2*alpha*h_to_c_2_3
16645  h_to_c_4_4 = +2*alpha*h_to_c_3_3
16646  h_to_c_0_5 = -1*h_to_c_1_4
16647  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
16648  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
16649  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
16650  h_to_c_4_5 = +2*alpha*h_to_c_3_4
16651  h_to_c_5_5 = +2*alpha*h_to_c_4_4
16652  h_to_c_0_6 = -1*h_to_c_1_5
16653  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
16654  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
16655  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
16656  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
16657  h_to_c_5_6 = +2*alpha*h_to_c_4_5
16658  h_to_c_6_6 = +2*alpha*h_to_c_5_5
16659 
16660 
16661  rr1_delta = (ra - rb)/dr
16662 
16663  rr1_l = ceiling(-r_c(1) + rr1_delta)
16664  rr1_r = floor(r_c(1) + rr1_delta)
16665 
16666  r1 = rr1_l*dr
16667 
16668  alpha_e = zeta*zetb/(zeta + zetb)
16669 
16670  DO rr1 = rr1_l, rr1_r
16671  s_r_t_0 = 0.0_dp
16672  s_r_t2_0 = 0.0_dp
16673  s_r_t_1 = 0.0_dp
16674  s_r_t2_1 = 0.0_dp
16675  s_r_t_2 = 0.0_dp
16676  s_r_t2_2 = 0.0_dp
16677  s_r_t_3 = 0.0_dp
16678  s_r_t2_3 = 0.0_dp
16679  s_r_t_4 = 0.0_dp
16680  s_r_t2_4 = 0.0_dp
16681  s_r_t_5 = 0.0_dp
16682  s_r_t2_5 = 0.0_dp
16683  s_r_t_6 = 0.0_dp
16684  s_r_t2_6 = 0.0_dp
16685  r_tmp = r_offset + r1*zeta/(zeta + zetb)
16686  rr2_delta = -r_tmp/dr
16687 
16688  rr2_l = ceiling(-r_c(2) + rr2_delta)
16689  rr2_r = floor(r_c(2) + rr2_delta)
16690 
16691  r = r_tmp + (rr2_l)*dr
16692 
16693 
16694  DO rr2 = rr2_l, rr2_r
16695  r_pow_t = 1.0_dp
16696  exp2_rsq = exp(-alpha*r*r)
16697  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
16698  r_pow_t = r_pow_t*r
16699  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
16700  r_pow_t = r_pow_t*r
16701  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
16702  r_pow_t = r_pow_t*r
16703  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
16704  r_pow_t = r_pow_t*r
16705  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
16706  r_pow_t = r_pow_t*r
16707  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
16708  r_pow_t = r_pow_t*r
16709  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
16710 
16711  r = r + dr
16712  END DO
16713 
16714  ! C --> H
16715  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
16716  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
16717  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
16718  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
16719  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
16720  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
16721  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
16722  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
16723  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
16724  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
16725  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
16726  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
16727  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
16728  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
16729  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
16730  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
16731  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
16732  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
16733  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
16734  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
16735  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
16736  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
16737  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
16738  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
16739  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
16740  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
16741  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
16742  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
16743 
16744  ! H --> HH
16745  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
16746 
16747  c1 = 1.0_dp/(zeta + zetb)
16748  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
16749  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
16750 
16751  e_0_1_0 = zeta*( &
16752  +c2*e_0_0_0&
16753 
16754  )
16755  e_0_0_1 = zetb*( &
16756  +c3*e_0_0_0&
16757 
16758  )
16759  e_1_1_0 = zeta*( c1*e_0_0_0 &
16760 
16761 
16762  )
16763  e_1_0_1 = zetb*( c1*e_0_0_0 &
16764 
16765 
16766  )
16767  e_0_2_0 = zeta*( &
16768  +c2*e_0_1_0&
16769  +2*e_1_1_0 &
16770  -2*e_0_0_0)
16771  e_0_1_1 = zetb*( &
16772  +c3*e_0_1_0&
16773  +2*e_1_1_0 &
16774  )
16775  e_1_2_0 = zeta*( c1*e_0_1_0 &
16776  +c2*e_1_1_0&
16777 
16778  )
16779  e_1_1_1 = zetb*( c1*e_0_1_0 &
16780  +c3*e_1_1_0&
16781 
16782  )
16783  e_2_2_0 = zeta*( c1*e_1_1_0 &
16784 
16785 
16786  )
16787  e_2_1_1 = zetb*( c1*e_1_1_0 &
16788 
16789 
16790  )
16791  e_0_2_1 = zetb*( &
16792  +c3*e_0_2_0&
16793  +2*e_1_2_0 &
16794  )
16795  e_1_2_1 = zetb*( c1*e_0_2_0 &
16796  +c3*e_1_2_0&
16797  +4*e_2_2_0 &
16798  )
16799  e_2_2_1 = zetb*( c1*e_1_2_0 &
16800  +c3*e_2_2_0&
16801 
16802  )
16803  e_3_2_1 = zetb*( c1*e_2_2_0 &
16804 
16805 
16806  )
16807  e_0_1_1 = zeta*( &
16808  +c2*e_0_0_1&
16809  +2*e_1_0_1 &
16810  )
16811  e_0_0_2 = zetb*( &
16812  +c3*e_0_0_1&
16813  +2*e_1_0_1 &
16814  -2*e_0_0_0)
16815  e_1_1_1 = zeta*( c1*e_0_0_1 &
16816  +c2*e_1_0_1&
16817 
16818  )
16819  e_1_0_2 = zetb*( c1*e_0_0_1 &
16820  +c3*e_1_0_1&
16821 
16822  )
16823  e_2_1_1 = zeta*( c1*e_1_0_1 &
16824 
16825 
16826  )
16827  e_2_0_2 = zetb*( c1*e_1_0_1 &
16828 
16829 
16830  )
16831  e_0_2_1 = zeta*( &
16832  +c2*e_0_1_1&
16833  +2*e_1_1_1 &
16834  -2*e_0_0_1)
16835  e_0_1_2 = zetb*( &
16836  +c3*e_0_1_1&
16837  +2*e_1_1_1 &
16838  -2*e_0_1_0)
16839  e_1_2_1 = zeta*( c1*e_0_1_1 &
16840  +c2*e_1_1_1&
16841  +4*e_2_1_1 &
16842  -2*e_1_0_1)
16843  e_1_1_2 = zetb*( c1*e_0_1_1 &
16844  +c3*e_1_1_1&
16845  +4*e_2_1_1 &
16846  -2*e_1_1_0)
16847  e_2_2_1 = zeta*( c1*e_1_1_1 &
16848  +c2*e_2_1_1&
16849 
16850  )
16851  e_2_1_2 = zetb*( c1*e_1_1_1 &
16852  +c3*e_2_1_1&
16853 
16854  )
16855  e_3_2_1 = zeta*( c1*e_2_1_1 &
16856 
16857 
16858  )
16859  e_3_1_2 = zetb*( c1*e_2_1_1 &
16860 
16861 
16862  )
16863  e_0_2_2 = zetb*( &
16864  +c3*e_0_2_1&
16865  +2*e_1_2_1 &
16866  -2*e_0_2_0)
16867  e_1_2_2 = zetb*( c1*e_0_2_1 &
16868  +c3*e_1_2_1&
16869  +4*e_2_2_1 &
16870  -2*e_1_2_0)
16871  e_2_2_2 = zetb*( c1*e_1_2_1 &
16872  +c3*e_2_2_1&
16873  +6*e_3_2_1 &
16874  -2*e_2_2_0)
16875  e_3_2_2 = zetb*( c1*e_2_2_1 &
16876  +c3*e_3_2_1&
16877 
16878  )
16879  e_4_2_2 = zetb*( c1*e_3_2_1 &
16880 
16881 
16882  )
16883  e_0_1_2 = zeta*( &
16884  +c2*e_0_0_2&
16885  +2*e_1_0_2 &
16886  )
16887  e_1_1_2 = zeta*( c1*e_0_0_2 &
16888  +c2*e_1_0_2&
16889  +4*e_2_0_2 &
16890  )
16891  e_2_1_2 = zeta*( c1*e_1_0_2 &
16892  +c2*e_2_0_2&
16893 
16894  )
16895  e_3_1_2 = zeta*( c1*e_2_0_2 &
16896 
16897 
16898  )
16899  e_0_2_2 = zeta*( &
16900  +c2*e_0_1_2&
16901  +2*e_1_1_2 &
16902  -2*e_0_0_2)
16903  e_1_2_2 = zeta*( c1*e_0_1_2 &
16904  +c2*e_1_1_2&
16905  +4*e_2_1_2 &
16906  -2*e_1_0_2)
16907  e_2_2_2 = zeta*( c1*e_1_1_2 &
16908  +c2*e_2_1_2&
16909  +6*e_3_1_2 &
16910  -2*e_2_0_2)
16911  e_3_2_2 = zeta*( c1*e_2_1_2 &
16912  +c2*e_3_1_2&
16913 
16914  )
16915  e_4_2_2 = zeta*( c1*e_3_1_2 &
16916 
16917 
16918  )
16919 
16920  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
16921  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
16922  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
16923  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
16924  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
16925  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
16926  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
16927  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
16928  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
16929  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
16930  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
16931  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
16932  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
16933  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
16934  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
16935  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
16936  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
16937  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
16938  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
16939  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
16940  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
16941  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
16942  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
16943  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
16944  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
16945  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
16946  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
16947  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
16948  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
16949  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
16950  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
16951  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
16952  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
16953  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
16954  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
16955  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
16956  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
16957  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
16958  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
16959  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
16960  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
16961  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
16962  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
16963  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
16964  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
16965  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
16966  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
16967  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
16968  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
16969  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
16970  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
16971  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
16972  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
16973  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
16974  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
16975  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
16976  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
16977  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
16978  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
16979  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
16980  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
16981  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
16982  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
16983  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
16984  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
16985  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
16986  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
16987  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
16988  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
16989  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
16990  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
16991  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
16992  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
16993  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
16994  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
16995  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
16996  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
16997  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
16998  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
16999  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
17000  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
17001  r1 = r1 + dr
17002  END DO
17003 
17004  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
17005  END SUBROUTINE
17006  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_2_3_exp_0 ( &
17007  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
17008  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
17009  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
17010  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
17011  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
17012  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
17013  r_pow_t, r_tmp, rr1_delta, rr2_delta
17014 
17015  REAL(kind=dp) :: c1, c2, c3
17016  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
17017  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
17018  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
17019  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
17020  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
17021  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
17022  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
17023  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
17024  & e_3_2_2, e_4_2_2
17025 
17026 
17027  dr = lgth
17028  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
17029 
17030  s_r(:, :, :) = 0.0_dp
17031 
17032  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
17033 
17034  h_to_c_0_0 = sqrt(alpha/pi)
17035 
17036  h_to_c_0_1 = 0.0_dp
17037  h_to_c_1_1 = +2*alpha*h_to_c_0_0
17038  h_to_c_0_2 = -1*h_to_c_1_1
17039  h_to_c_1_2 = +2*alpha*h_to_c_0_1
17040  h_to_c_2_2 = +2*alpha*h_to_c_1_1
17041  h_to_c_0_3 = -1*h_to_c_1_2
17042  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
17043  h_to_c_2_3 = +2*alpha*h_to_c_1_2
17044  h_to_c_3_3 = +2*alpha*h_to_c_2_2
17045  h_to_c_0_4 = -1*h_to_c_1_3
17046  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
17047  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
17048  h_to_c_3_4 = +2*alpha*h_to_c_2_3
17049  h_to_c_4_4 = +2*alpha*h_to_c_3_3
17050  h_to_c_0_5 = -1*h_to_c_1_4
17051  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
17052  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
17053  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
17054  h_to_c_4_5 = +2*alpha*h_to_c_3_4
17055  h_to_c_5_5 = +2*alpha*h_to_c_4_4
17056  h_to_c_0_6 = -1*h_to_c_1_5
17057  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
17058  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
17059  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
17060  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
17061  h_to_c_5_6 = +2*alpha*h_to_c_4_5
17062  h_to_c_6_6 = +2*alpha*h_to_c_5_5
17063  h_to_c_0_7 = -1*h_to_c_1_6
17064  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
17065  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
17066  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
17067  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
17068  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
17069  h_to_c_6_7 = +2*alpha*h_to_c_5_6
17070  h_to_c_7_7 = +2*alpha*h_to_c_6_6
17071 
17072 
17073  rr1_delta = (ra - rb)/dr
17074 
17075  rr1_l = ceiling(-r_c(1) + rr1_delta)
17076  rr1_r = floor(r_c(1) + rr1_delta)
17077 
17078  r1 = rr1_l*dr
17079 
17080  alpha_e = zeta*zetb/(zeta + zetb)
17081 
17082  DO rr1 = rr1_l, rr1_r
17083  s_r_t_0 = 0.0_dp
17084  s_r_t2_0 = 0.0_dp
17085  s_r_t_1 = 0.0_dp
17086  s_r_t2_1 = 0.0_dp
17087  s_r_t_2 = 0.0_dp
17088  s_r_t2_2 = 0.0_dp
17089  s_r_t_3 = 0.0_dp
17090  s_r_t2_3 = 0.0_dp
17091  s_r_t_4 = 0.0_dp
17092  s_r_t2_4 = 0.0_dp
17093  s_r_t_5 = 0.0_dp
17094  s_r_t2_5 = 0.0_dp
17095  s_r_t_6 = 0.0_dp
17096  s_r_t2_6 = 0.0_dp
17097  s_r_t_7 = 0.0_dp
17098  s_r_t2_7 = 0.0_dp
17099  r_tmp = r_offset + r1*zeta/(zeta + zetb)
17100  rr2_delta = -r_tmp/dr
17101 
17102  rr2_l = ceiling(-r_c(2) + rr2_delta)
17103  rr2_r = floor(r_c(2) + rr2_delta)
17104 
17105  r = r_tmp + (rr2_l)*dr
17106 
17107 
17108  DO rr2 = rr2_l, rr2_r
17109  r_pow_t = 1.0_dp
17110  exp2_rsq = exp(-alpha*r*r)
17111  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
17112  r_pow_t = r_pow_t*r
17113  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
17114  r_pow_t = r_pow_t*r
17115  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
17116  r_pow_t = r_pow_t*r
17117  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
17118  r_pow_t = r_pow_t*r
17119  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
17120  r_pow_t = r_pow_t*r
17121  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
17122  r_pow_t = r_pow_t*r
17123  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
17124  r_pow_t = r_pow_t*r
17125  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
17126 
17127  r = r + dr
17128  END DO
17129 
17130  ! C --> H
17131  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
17132  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
17133  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
17134  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
17135  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
17136  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
17137  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
17138  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
17139  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
17140  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
17141  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
17142  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
17143  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
17144  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
17145  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
17146  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
17147  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
17148  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
17149  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
17150  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
17151  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
17152  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
17153  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
17154  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
17155  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
17156  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
17157  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
17158  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
17159  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
17160  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
17161  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
17162  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
17163  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
17164  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
17165  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
17166  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
17167 
17168  ! H --> HH
17169  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
17170 
17171  c1 = 1.0_dp/(zeta + zetb)
17172  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
17173  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
17174 
17175  e_0_1_0 = zeta*( &
17176  +c2*e_0_0_0&
17177 
17178  )
17179  e_0_0_1 = zetb*( &
17180  +c3*e_0_0_0&
17181 
17182  )
17183  e_1_1_0 = zeta*( c1*e_0_0_0 &
17184 
17185 
17186  )
17187  e_1_0_1 = zetb*( c1*e_0_0_0 &
17188 
17189 
17190  )
17191  e_0_2_0 = zeta*( &
17192  +c2*e_0_1_0&
17193  +2*e_1_1_0 &
17194  -2*e_0_0_0)
17195  e_0_1_1 = zetb*( &
17196  +c3*e_0_1_0&
17197  +2*e_1_1_0 &
17198  )
17199  e_1_2_0 = zeta*( c1*e_0_1_0 &
17200  +c2*e_1_1_0&
17201 
17202  )
17203  e_1_1_1 = zetb*( c1*e_0_1_0 &
17204  +c3*e_1_1_0&
17205 
17206  )
17207  e_2_2_0 = zeta*( c1*e_1_1_0 &
17208 
17209 
17210  )
17211  e_2_1_1 = zetb*( c1*e_1_1_0 &
17212 
17213 
17214  )
17215  e_0_2_1 = zetb*( &
17216  +c3*e_0_2_0&
17217  +2*e_1_2_0 &
17218  )
17219  e_1_2_1 = zetb*( c1*e_0_2_0 &
17220  +c3*e_1_2_0&
17221  +4*e_2_2_0 &
17222  )
17223  e_2_2_1 = zetb*( c1*e_1_2_0 &
17224  +c3*e_2_2_0&
17225 
17226  )
17227  e_3_2_1 = zetb*( c1*e_2_2_0 &
17228 
17229 
17230  )
17231  e_0_1_1 = zeta*( &
17232  +c2*e_0_0_1&
17233  +2*e_1_0_1 &
17234  )
17235  e_0_0_2 = zetb*( &
17236  +c3*e_0_0_1&
17237  +2*e_1_0_1 &
17238  -2*e_0_0_0)
17239  e_1_1_1 = zeta*( c1*e_0_0_1 &
17240  +c2*e_1_0_1&
17241 
17242  )
17243  e_1_0_2 = zetb*( c1*e_0_0_1 &
17244  +c3*e_1_0_1&
17245 
17246  )
17247  e_2_1_1 = zeta*( c1*e_1_0_1 &
17248 
17249 
17250  )
17251  e_2_0_2 = zetb*( c1*e_1_0_1 &
17252 
17253 
17254  )
17255  e_0_2_1 = zeta*( &
17256  +c2*e_0_1_1&
17257  +2*e_1_1_1 &
17258  -2*e_0_0_1)
17259  e_0_1_2 = zetb*( &
17260  +c3*e_0_1_1&
17261  +2*e_1_1_1 &
17262  -2*e_0_1_0)
17263  e_1_2_1 = zeta*( c1*e_0_1_1 &
17264  +c2*e_1_1_1&
17265  +4*e_2_1_1 &
17266  -2*e_1_0_1)
17267  e_1_1_2 = zetb*( c1*e_0_1_1 &
17268  +c3*e_1_1_1&
17269  +4*e_2_1_1 &
17270  -2*e_1_1_0)
17271  e_2_2_1 = zeta*( c1*e_1_1_1 &
17272  +c2*e_2_1_1&
17273 
17274  )
17275  e_2_1_2 = zetb*( c1*e_1_1_1 &
17276  +c3*e_2_1_1&
17277 
17278  )
17279  e_3_2_1 = zeta*( c1*e_2_1_1 &
17280 
17281 
17282  )
17283  e_3_1_2 = zetb*( c1*e_2_1_1 &
17284 
17285 
17286  )
17287  e_0_2_2 = zetb*( &
17288  +c3*e_0_2_1&
17289  +2*e_1_2_1 &
17290  -2*e_0_2_0)
17291  e_1_2_2 = zetb*( c1*e_0_2_1 &
17292  +c3*e_1_2_1&
17293  +4*e_2_2_1 &
17294  -2*e_1_2_0)
17295  e_2_2_2 = zetb*( c1*e_1_2_1 &
17296  +c3*e_2_2_1&
17297  +6*e_3_2_1 &
17298  -2*e_2_2_0)
17299  e_3_2_2 = zetb*( c1*e_2_2_1 &
17300  +c3*e_3_2_1&
17301 
17302  )
17303  e_4_2_2 = zetb*( c1*e_3_2_1 &
17304 
17305 
17306  )
17307  e_0_1_2 = zeta*( &
17308  +c2*e_0_0_2&
17309  +2*e_1_0_2 &
17310  )
17311  e_1_1_2 = zeta*( c1*e_0_0_2 &
17312  +c2*e_1_0_2&
17313  +4*e_2_0_2 &
17314  )
17315  e_2_1_2 = zeta*( c1*e_1_0_2 &
17316  +c2*e_2_0_2&
17317 
17318  )
17319  e_3_1_2 = zeta*( c1*e_2_0_2 &
17320 
17321 
17322  )
17323  e_0_2_2 = zeta*( &
17324  +c2*e_0_1_2&
17325  +2*e_1_1_2 &
17326  -2*e_0_0_2)
17327  e_1_2_2 = zeta*( c1*e_0_1_2 &
17328  +c2*e_1_1_2&
17329  +4*e_2_1_2 &
17330  -2*e_1_0_2)
17331  e_2_2_2 = zeta*( c1*e_1_1_2 &
17332  +c2*e_2_1_2&
17333  +6*e_3_1_2 &
17334  -2*e_2_0_2)
17335  e_3_2_2 = zeta*( c1*e_2_1_2 &
17336  +c2*e_3_1_2&
17337 
17338  )
17339  e_4_2_2 = zeta*( c1*e_3_1_2 &
17340 
17341 
17342  )
17343 
17344  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
17345  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
17346  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
17347  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
17348  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
17349  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
17350  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
17351  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
17352  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
17353  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
17354  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
17355  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
17356  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
17357  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
17358  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
17359  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
17360  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
17361  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
17362  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
17363  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
17364  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
17365  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
17366  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
17367  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
17368  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
17369  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
17370  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
17371  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
17372  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
17373  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
17374  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
17375  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
17376  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
17377  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
17378  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
17379  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
17380  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
17381  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
17382  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
17383  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
17384  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
17385  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
17386  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
17387  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
17388  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
17389  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
17390  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
17391  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
17392  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
17393  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
17394  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
17395  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
17396  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
17397  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
17398  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
17399  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
17400  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
17401  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
17402  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
17403  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
17404  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
17405  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
17406  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
17407  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
17408  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
17409  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
17410  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
17411  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
17412  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
17413  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
17414  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
17415  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
17416  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
17417  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
17418  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
17419  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
17420  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
17421  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
17422  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
17423  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
17424  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
17425  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
17426  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
17427  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
17428  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
17429  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
17430  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
17431  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
17432  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
17433  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
17434  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
17435  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
17436  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
17437  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
17438  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
17439  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
17440  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
17441  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
17442  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
17443  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
17444  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
17445  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
17446  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
17447  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
17448  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
17449  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
17450  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
17451  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
17452  r1 = r1 + dr
17453  END DO
17454 
17455  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
17456  END SUBROUTINE
17457  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_2_4_exp_0 ( &
17458  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
17459  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
17460  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
17461  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
17462  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
17463  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
17464  r_pow_t, r_tmp, rr1_delta, rr2_delta
17465 
17466  REAL(kind=dp) :: c1, c2, c3
17467  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
17468  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
17469  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
17470  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
17471  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
17472  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
17473  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
17474  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
17475  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
17476  & e_3_2_2, e_4_2_2
17477 
17478 
17479  dr = lgth
17480  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
17481 
17482  s_r(:, :, :) = 0.0_dp
17483 
17484  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
17485 
17486  h_to_c_0_0 = sqrt(alpha/pi)
17487 
17488  h_to_c_0_1 = 0.0_dp
17489  h_to_c_1_1 = +2*alpha*h_to_c_0_0
17490  h_to_c_0_2 = -1*h_to_c_1_1
17491  h_to_c_1_2 = +2*alpha*h_to_c_0_1
17492  h_to_c_2_2 = +2*alpha*h_to_c_1_1
17493  h_to_c_0_3 = -1*h_to_c_1_2
17494  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
17495  h_to_c_2_3 = +2*alpha*h_to_c_1_2
17496  h_to_c_3_3 = +2*alpha*h_to_c_2_2
17497  h_to_c_0_4 = -1*h_to_c_1_3
17498  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
17499  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
17500  h_to_c_3_4 = +2*alpha*h_to_c_2_3
17501  h_to_c_4_4 = +2*alpha*h_to_c_3_3
17502  h_to_c_0_5 = -1*h_to_c_1_4
17503  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
17504  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
17505  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
17506  h_to_c_4_5 = +2*alpha*h_to_c_3_4
17507  h_to_c_5_5 = +2*alpha*h_to_c_4_4
17508  h_to_c_0_6 = -1*h_to_c_1_5
17509  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
17510  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
17511  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
17512  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
17513  h_to_c_5_6 = +2*alpha*h_to_c_4_5
17514  h_to_c_6_6 = +2*alpha*h_to_c_5_5
17515  h_to_c_0_7 = -1*h_to_c_1_6
17516  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
17517  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
17518  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
17519  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
17520  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
17521  h_to_c_6_7 = +2*alpha*h_to_c_5_6
17522  h_to_c_7_7 = +2*alpha*h_to_c_6_6
17523  h_to_c_0_8 = -1*h_to_c_1_7
17524  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
17525  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
17526  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
17527  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
17528  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
17529  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
17530  h_to_c_7_8 = +2*alpha*h_to_c_6_7
17531  h_to_c_8_8 = +2*alpha*h_to_c_7_7
17532 
17533 
17534  rr1_delta = (ra - rb)/dr
17535 
17536  rr1_l = ceiling(-r_c(1) + rr1_delta)
17537  rr1_r = floor(r_c(1) + rr1_delta)
17538 
17539  r1 = rr1_l*dr
17540 
17541  alpha_e = zeta*zetb/(zeta + zetb)
17542 
17543  DO rr1 = rr1_l, rr1_r
17544  s_r_t_0 = 0.0_dp
17545  s_r_t2_0 = 0.0_dp
17546  s_r_t_1 = 0.0_dp
17547  s_r_t2_1 = 0.0_dp
17548  s_r_t_2 = 0.0_dp
17549  s_r_t2_2 = 0.0_dp
17550  s_r_t_3 = 0.0_dp
17551  s_r_t2_3 = 0.0_dp
17552  s_r_t_4 = 0.0_dp
17553  s_r_t2_4 = 0.0_dp
17554  s_r_t_5 = 0.0_dp
17555  s_r_t2_5 = 0.0_dp
17556  s_r_t_6 = 0.0_dp
17557  s_r_t2_6 = 0.0_dp
17558  s_r_t_7 = 0.0_dp
17559  s_r_t2_7 = 0.0_dp
17560  s_r_t_8 = 0.0_dp
17561  s_r_t2_8 = 0.0_dp
17562  r_tmp = r_offset + r1*zeta/(zeta + zetb)
17563  rr2_delta = -r_tmp/dr
17564 
17565  rr2_l = ceiling(-r_c(2) + rr2_delta)
17566  rr2_r = floor(r_c(2) + rr2_delta)
17567 
17568  r = r_tmp + (rr2_l)*dr
17569 
17570 
17571  DO rr2 = rr2_l, rr2_r
17572  r_pow_t = 1.0_dp
17573  exp2_rsq = exp(-alpha*r*r)
17574  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
17575  r_pow_t = r_pow_t*r
17576  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
17577  r_pow_t = r_pow_t*r
17578  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
17579  r_pow_t = r_pow_t*r
17580  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
17581  r_pow_t = r_pow_t*r
17582  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
17583  r_pow_t = r_pow_t*r
17584  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
17585  r_pow_t = r_pow_t*r
17586  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
17587  r_pow_t = r_pow_t*r
17588  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
17589  r_pow_t = r_pow_t*r
17590  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
17591 
17592  r = r + dr
17593  END DO
17594 
17595  ! C --> H
17596  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
17597  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
17598  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
17599  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
17600  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
17601  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
17602  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
17603  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
17604  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
17605  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
17606  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
17607  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
17608  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
17609  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
17610  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
17611  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
17612  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
17613  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
17614  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
17615  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
17616  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
17617  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
17618  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
17619  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
17620  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
17621  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
17622  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
17623  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
17624  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
17625  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
17626  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
17627  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
17628  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
17629  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
17630  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
17631  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
17632  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
17633  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
17634  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
17635  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
17636  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
17637  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
17638  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
17639  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
17640  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
17641 
17642  ! H --> HH
17643  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
17644 
17645  c1 = 1.0_dp/(zeta + zetb)
17646  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
17647  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
17648 
17649  e_0_1_0 = zeta*( &
17650  +c2*e_0_0_0&
17651 
17652  )
17653  e_0_0_1 = zetb*( &
17654  +c3*e_0_0_0&
17655 
17656  )
17657  e_1_1_0 = zeta*( c1*e_0_0_0 &
17658 
17659 
17660  )
17661  e_1_0_1 = zetb*( c1*e_0_0_0 &
17662 
17663 
17664  )
17665  e_0_2_0 = zeta*( &
17666  +c2*e_0_1_0&
17667  +2*e_1_1_0 &
17668  -2*e_0_0_0)
17669  e_0_1_1 = zetb*( &
17670  +c3*e_0_1_0&
17671  +2*e_1_1_0 &
17672  )
17673  e_1_2_0 = zeta*( c1*e_0_1_0 &
17674  +c2*e_1_1_0&
17675 
17676  )
17677  e_1_1_1 = zetb*( c1*e_0_1_0 &
17678  +c3*e_1_1_0&
17679 
17680  )
17681  e_2_2_0 = zeta*( c1*e_1_1_0 &
17682 
17683 
17684  )
17685  e_2_1_1 = zetb*( c1*e_1_1_0 &
17686 
17687 
17688  )
17689  e_0_2_1 = zetb*( &
17690  +c3*e_0_2_0&
17691  +2*e_1_2_0 &
17692  )
17693  e_1_2_1 = zetb*( c1*e_0_2_0 &
17694  +c3*e_1_2_0&
17695  +4*e_2_2_0 &
17696  )
17697  e_2_2_1 = zetb*( c1*e_1_2_0 &
17698  +c3*e_2_2_0&
17699 
17700  )
17701  e_3_2_1 = zetb*( c1*e_2_2_0 &
17702 
17703 
17704  )
17705  e_0_1_1 = zeta*( &
17706  +c2*e_0_0_1&
17707  +2*e_1_0_1 &
17708  )
17709  e_0_0_2 = zetb*( &
17710  +c3*e_0_0_1&
17711  +2*e_1_0_1 &
17712  -2*e_0_0_0)
17713  e_1_1_1 = zeta*( c1*e_0_0_1 &
17714  +c2*e_1_0_1&
17715 
17716  )
17717  e_1_0_2 = zetb*( c1*e_0_0_1 &
17718  +c3*e_1_0_1&
17719 
17720  )
17721  e_2_1_1 = zeta*( c1*e_1_0_1 &
17722 
17723 
17724  )
17725  e_2_0_2 = zetb*( c1*e_1_0_1 &
17726 
17727 
17728  )
17729  e_0_2_1 = zeta*( &
17730  +c2*e_0_1_1&
17731  +2*e_1_1_1 &
17732  -2*e_0_0_1)
17733  e_0_1_2 = zetb*( &
17734  +c3*e_0_1_1&
17735  +2*e_1_1_1 &
17736  -2*e_0_1_0)
17737  e_1_2_1 = zeta*( c1*e_0_1_1 &
17738  +c2*e_1_1_1&
17739  +4*e_2_1_1 &
17740  -2*e_1_0_1)
17741  e_1_1_2 = zetb*( c1*e_0_1_1 &
17742  +c3*e_1_1_1&
17743  +4*e_2_1_1 &
17744  -2*e_1_1_0)
17745  e_2_2_1 = zeta*( c1*e_1_1_1 &
17746  +c2*e_2_1_1&
17747 
17748  )
17749  e_2_1_2 = zetb*( c1*e_1_1_1 &
17750  +c3*e_2_1_1&
17751 
17752  )
17753  e_3_2_1 = zeta*( c1*e_2_1_1 &
17754 
17755 
17756  )
17757  e_3_1_2 = zetb*( c1*e_2_1_1 &
17758 
17759 
17760  )
17761  e_0_2_2 = zetb*( &
17762  +c3*e_0_2_1&
17763  +2*e_1_2_1 &
17764  -2*e_0_2_0)
17765  e_1_2_2 = zetb*( c1*e_0_2_1 &
17766  +c3*e_1_2_1&
17767  +4*e_2_2_1 &
17768  -2*e_1_2_0)
17769  e_2_2_2 = zetb*( c1*e_1_2_1 &
17770  +c3*e_2_2_1&
17771  +6*e_3_2_1 &
17772  -2*e_2_2_0)
17773  e_3_2_2 = zetb*( c1*e_2_2_1 &
17774  +c3*e_3_2_1&
17775 
17776  )
17777  e_4_2_2 = zetb*( c1*e_3_2_1 &
17778 
17779 
17780  )
17781  e_0_1_2 = zeta*( &
17782  +c2*e_0_0_2&
17783  +2*e_1_0_2 &
17784  )
17785  e_1_1_2 = zeta*( c1*e_0_0_2 &
17786  +c2*e_1_0_2&
17787  +4*e_2_0_2 &
17788  )
17789  e_2_1_2 = zeta*( c1*e_1_0_2 &
17790  +c2*e_2_0_2&
17791 
17792  )
17793  e_3_1_2 = zeta*( c1*e_2_0_2 &
17794 
17795 
17796  )
17797  e_0_2_2 = zeta*( &
17798  +c2*e_0_1_2&
17799  +2*e_1_1_2 &
17800  -2*e_0_0_2)
17801  e_1_2_2 = zeta*( c1*e_0_1_2 &
17802  +c2*e_1_1_2&
17803  +4*e_2_1_2 &
17804  -2*e_1_0_2)
17805  e_2_2_2 = zeta*( c1*e_1_1_2 &
17806  +c2*e_2_1_2&
17807  +6*e_3_1_2 &
17808  -2*e_2_0_2)
17809  e_3_2_2 = zeta*( c1*e_2_1_2 &
17810  +c2*e_3_1_2&
17811 
17812  )
17813  e_4_2_2 = zeta*( c1*e_3_1_2 &
17814 
17815 
17816  )
17817 
17818  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
17819  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
17820  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
17821  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
17822  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
17823  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
17824  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
17825  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
17826  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
17827  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
17828  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
17829  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
17830  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
17831  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
17832  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
17833  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
17834  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
17835  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
17836  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
17837  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
17838  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
17839  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
17840  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
17841  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
17842  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
17843  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
17844  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
17845  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
17846  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
17847  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
17848  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
17849  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
17850  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
17851  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
17852  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
17853  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
17854  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
17855  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
17856  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
17857  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
17858  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
17859  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
17860  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
17861  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
17862  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
17863  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
17864  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
17865  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
17866  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
17867  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
17868  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
17869  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
17870  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
17871  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
17872  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
17873  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
17874  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
17875  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
17876  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
17877  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
17878  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
17879  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
17880  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
17881  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
17882  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
17883  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
17884  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
17885  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
17886  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
17887  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
17888  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
17889  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
17890  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
17891  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
17892  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
17893  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
17894  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
17895  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
17896  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
17897  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
17898  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
17899  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
17900  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
17901  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
17902  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
17903  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
17904  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
17905  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
17906  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
17907  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
17908  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
17909  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
17910  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
17911  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
17912  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
17913  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
17914  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
17915  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
17916  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
17917  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
17918  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
17919  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
17920  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
17921  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
17922  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
17923  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
17924  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
17925  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
17926  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
17927  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
17928  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
17929  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
17930  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
17931  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
17932  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
17933  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
17934  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
17935  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
17936  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
17937  s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
17938  s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
17939  s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
17940  s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
17941  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
17942  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
17943  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
17944  s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
17945  s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
17946  s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
17947  s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
17948  s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
17949  s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
17950  s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
17951  s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
17952  s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
17953  r1 = r1 + dr
17954  END DO
17955 
17956  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
17957  END SUBROUTINE
17958  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_3_0_exp_0 ( &
17959  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
17960  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
17961  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
17962  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
17963  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
17964  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
17965  r_pow_t, r_tmp, rr1_delta, rr2_delta
17966 
17967  REAL(kind=dp) :: c1, c2, c3
17968  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
17969  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
17970  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
17971  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
17972  & h_to_c_4_5, h_to_c_5_5
17973  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
17974  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
17975  & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
17976  & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3
17977 
17978 
17979  dr = lgth
17980  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
17981 
17982  s_r(:, :, :) = 0.0_dp
17983 
17984  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
17985 
17986  h_to_c_0_0 = sqrt(alpha/pi)
17987 
17988  h_to_c_0_1 = 0.0_dp
17989  h_to_c_1_1 = +2*alpha*h_to_c_0_0
17990  h_to_c_0_2 = -1*h_to_c_1_1
17991  h_to_c_1_2 = +2*alpha*h_to_c_0_1
17992  h_to_c_2_2 = +2*alpha*h_to_c_1_1
17993  h_to_c_0_3 = -1*h_to_c_1_2
17994  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
17995  h_to_c_2_3 = +2*alpha*h_to_c_1_2
17996  h_to_c_3_3 = +2*alpha*h_to_c_2_2
17997  h_to_c_0_4 = -1*h_to_c_1_3
17998  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
17999  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
18000  h_to_c_3_4 = +2*alpha*h_to_c_2_3
18001  h_to_c_4_4 = +2*alpha*h_to_c_3_3
18002  h_to_c_0_5 = -1*h_to_c_1_4
18003  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
18004  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
18005  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
18006  h_to_c_4_5 = +2*alpha*h_to_c_3_4
18007  h_to_c_5_5 = +2*alpha*h_to_c_4_4
18008 
18009 
18010  rr1_delta = (ra - rb)/dr
18011 
18012  rr1_l = ceiling(-r_c(1) + rr1_delta)
18013  rr1_r = floor(r_c(1) + rr1_delta)
18014 
18015  r1 = rr1_l*dr
18016 
18017  alpha_e = zeta*zetb/(zeta + zetb)
18018 
18019  DO rr1 = rr1_l, rr1_r
18020  s_r_t_0 = 0.0_dp
18021  s_r_t2_0 = 0.0_dp
18022  s_r_t_1 = 0.0_dp
18023  s_r_t2_1 = 0.0_dp
18024  s_r_t_2 = 0.0_dp
18025  s_r_t2_2 = 0.0_dp
18026  s_r_t_3 = 0.0_dp
18027  s_r_t2_3 = 0.0_dp
18028  s_r_t_4 = 0.0_dp
18029  s_r_t2_4 = 0.0_dp
18030  s_r_t_5 = 0.0_dp
18031  s_r_t2_5 = 0.0_dp
18032  r_tmp = r_offset + r1*zeta/(zeta + zetb)
18033  rr2_delta = -r_tmp/dr
18034 
18035  rr2_l = ceiling(-r_c(2) + rr2_delta)
18036  rr2_r = floor(r_c(2) + rr2_delta)
18037 
18038  r = r_tmp + (rr2_l)*dr
18039 
18040 
18041  DO rr2 = rr2_l, rr2_r
18042  r_pow_t = 1.0_dp
18043  exp2_rsq = exp(-alpha*r*r)
18044  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
18045  r_pow_t = r_pow_t*r
18046  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
18047  r_pow_t = r_pow_t*r
18048  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
18049  r_pow_t = r_pow_t*r
18050  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
18051  r_pow_t = r_pow_t*r
18052  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
18053  r_pow_t = r_pow_t*r
18054  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
18055 
18056  r = r + dr
18057  END DO
18058 
18059  ! C --> H
18060  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
18061  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
18062  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
18063  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
18064  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
18065  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
18066  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
18067  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
18068  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
18069  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
18070  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
18071  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
18072  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
18073  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
18074  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
18075  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
18076  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
18077  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
18078  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
18079  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
18080  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
18081 
18082  ! H --> HH
18083  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
18084 
18085  c1 = 1.0_dp/(zeta + zetb)
18086  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
18087  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
18088 
18089  e_0_1_0 = zeta*( &
18090  +c2*e_0_0_0&
18091 
18092  )
18093  e_0_0_1 = zetb*( &
18094  +c3*e_0_0_0&
18095 
18096  )
18097  e_1_1_0 = zeta*( c1*e_0_0_0 &
18098 
18099 
18100  )
18101  e_1_0_1 = zetb*( c1*e_0_0_0 &
18102 
18103 
18104  )
18105  e_0_2_0 = zeta*( &
18106  +c2*e_0_1_0&
18107  +2*e_1_1_0 &
18108  -2*e_0_0_0)
18109  e_0_1_1 = zetb*( &
18110  +c3*e_0_1_0&
18111  +2*e_1_1_0 &
18112  )
18113  e_1_2_0 = zeta*( c1*e_0_1_0 &
18114  +c2*e_1_1_0&
18115 
18116  )
18117  e_1_1_1 = zetb*( c1*e_0_1_0 &
18118  +c3*e_1_1_0&
18119 
18120  )
18121  e_2_2_0 = zeta*( c1*e_1_1_0 &
18122 
18123 
18124  )
18125  e_2_1_1 = zetb*( c1*e_1_1_0 &
18126 
18127 
18128  )
18129  e_0_2_1 = zetb*( &
18130  +c3*e_0_2_0&
18131  +2*e_1_2_0 &
18132  )
18133  e_1_2_1 = zetb*( c1*e_0_2_0 &
18134  +c3*e_1_2_0&
18135  +4*e_2_2_0 &
18136  )
18137  e_2_2_1 = zetb*( c1*e_1_2_0 &
18138  +c3*e_2_2_0&
18139 
18140  )
18141  e_3_2_1 = zetb*( c1*e_2_2_0 &
18142 
18143 
18144  )
18145  e_0_1_1 = zeta*( &
18146  +c2*e_0_0_1&
18147  +2*e_1_0_1 &
18148  )
18149  e_0_0_2 = zetb*( &
18150  +c3*e_0_0_1&
18151  +2*e_1_0_1 &
18152  -2*e_0_0_0)
18153  e_1_1_1 = zeta*( c1*e_0_0_1 &
18154  +c2*e_1_0_1&
18155 
18156  )
18157  e_1_0_2 = zetb*( c1*e_0_0_1 &
18158  +c3*e_1_0_1&
18159 
18160  )
18161  e_2_1_1 = zeta*( c1*e_1_0_1 &
18162 
18163 
18164  )
18165  e_2_0_2 = zetb*( c1*e_1_0_1 &
18166 
18167 
18168  )
18169  e_0_2_1 = zeta*( &
18170  +c2*e_0_1_1&
18171  +2*e_1_1_1 &
18172  -2*e_0_0_1)
18173  e_0_1_2 = zetb*( &
18174  +c3*e_0_1_1&
18175  +2*e_1_1_1 &
18176  -2*e_0_1_0)
18177  e_1_2_1 = zeta*( c1*e_0_1_1 &
18178  +c2*e_1_1_1&
18179  +4*e_2_1_1 &
18180  -2*e_1_0_1)
18181  e_1_1_2 = zetb*( c1*e_0_1_1 &
18182  +c3*e_1_1_1&
18183  +4*e_2_1_1 &
18184  -2*e_1_1_0)
18185  e_2_2_1 = zeta*( c1*e_1_1_1 &
18186  +c2*e_2_1_1&
18187 
18188  )
18189  e_2_1_2 = zetb*( c1*e_1_1_1 &
18190  +c3*e_2_1_1&
18191 
18192  )
18193  e_3_2_1 = zeta*( c1*e_2_1_1 &
18194 
18195 
18196  )
18197  e_3_1_2 = zetb*( c1*e_2_1_1 &
18198 
18199 
18200  )
18201  e_0_2_2 = zetb*( &
18202  +c3*e_0_2_1&
18203  +2*e_1_2_1 &
18204  -2*e_0_2_0)
18205  e_1_2_2 = zetb*( c1*e_0_2_1 &
18206  +c3*e_1_2_1&
18207  +4*e_2_2_1 &
18208  -2*e_1_2_0)
18209  e_2_2_2 = zetb*( c1*e_1_2_1 &
18210  +c3*e_2_2_1&
18211  +6*e_3_2_1 &
18212  -2*e_2_2_0)
18213  e_3_2_2 = zetb*( c1*e_2_2_1 &
18214  +c3*e_3_2_1&
18215 
18216  )
18217  e_4_2_2 = zetb*( c1*e_3_2_1 &
18218 
18219 
18220  )
18221  e_0_1_2 = zeta*( &
18222  +c2*e_0_0_2&
18223  +2*e_1_0_2 &
18224  )
18225  e_0_0_3 = zetb*( &
18226  +c3*e_0_0_2&
18227  +2*e_1_0_2 &
18228  -4*e_0_0_1)
18229  e_1_1_2 = zeta*( c1*e_0_0_2 &
18230  +c2*e_1_0_2&
18231  +4*e_2_0_2 &
18232  )
18233  e_1_0_3 = zetb*( c1*e_0_0_2 &
18234  +c3*e_1_0_2&
18235  +4*e_2_0_2 &
18236  -4*e_1_0_1)
18237  e_2_1_2 = zeta*( c1*e_1_0_2 &
18238  +c2*e_2_0_2&
18239 
18240  )
18241  e_2_0_3 = zetb*( c1*e_1_0_2 &
18242  +c3*e_2_0_2&
18243 
18244  )
18245  e_3_1_2 = zeta*( c1*e_2_0_2 &
18246 
18247 
18248  )
18249  e_3_0_3 = zetb*( c1*e_2_0_2 &
18250 
18251 
18252  )
18253  e_0_2_2 = zeta*( &
18254  +c2*e_0_1_2&
18255  +2*e_1_1_2 &
18256  -2*e_0_0_2)
18257  e_0_1_3 = zetb*( &
18258  +c3*e_0_1_2&
18259  +2*e_1_1_2 &
18260  -4*e_0_1_1)
18261  e_1_2_2 = zeta*( c1*e_0_1_2 &
18262  +c2*e_1_1_2&
18263  +4*e_2_1_2 &
18264  -2*e_1_0_2)
18265  e_1_1_3 = zetb*( c1*e_0_1_2 &
18266  +c3*e_1_1_2&
18267  +4*e_2_1_2 &
18268  -4*e_1_1_1)
18269  e_2_2_2 = zeta*( c1*e_1_1_2 &
18270  +c2*e_2_1_2&
18271  +6*e_3_1_2 &
18272  -2*e_2_0_2)
18273  e_2_1_3 = zetb*( c1*e_1_1_2 &
18274  +c3*e_2_1_2&
18275  +6*e_3_1_2 &
18276  -4*e_2_1_1)
18277  e_3_2_2 = zeta*( c1*e_2_1_2 &
18278  +c2*e_3_1_2&
18279 
18280  )
18281  e_3_1_3 = zetb*( c1*e_2_1_2 &
18282  +c3*e_3_1_2&
18283 
18284  )
18285  e_4_2_2 = zeta*( c1*e_3_1_2 &
18286 
18287 
18288  )
18289  e_4_1_3 = zetb*( c1*e_3_1_2 &
18290 
18291 
18292  )
18293  e_0_2_3 = zetb*( &
18294  +c3*e_0_2_2&
18295  +2*e_1_2_2 &
18296  -4*e_0_2_1)
18297  e_1_2_3 = zetb*( c1*e_0_2_2 &
18298  +c3*e_1_2_2&
18299  +4*e_2_2_2 &
18300  -4*e_1_2_1)
18301  e_2_2_3 = zetb*( c1*e_1_2_2 &
18302  +c3*e_2_2_2&
18303  +6*e_3_2_2 &
18304  -4*e_2_2_1)
18305  e_3_2_3 = zetb*( c1*e_2_2_2 &
18306  +c3*e_3_2_2&
18307  +8*e_4_2_2 &
18308  -4*e_3_2_1)
18309  e_4_2_3 = zetb*( c1*e_3_2_2 &
18310  +c3*e_4_2_2&
18311 
18312  )
18313  e_5_2_3 = zetb*( c1*e_4_2_2 &
18314 
18315 
18316  )
18317  e_0_1_3 = zeta*( &
18318  +c2*e_0_0_3&
18319  +2*e_1_0_3 &
18320  )
18321  e_1_1_3 = zeta*( c1*e_0_0_3 &
18322  +c2*e_1_0_3&
18323  +4*e_2_0_3 &
18324  )
18325  e_2_1_3 = zeta*( c1*e_1_0_3 &
18326  +c2*e_2_0_3&
18327  +6*e_3_0_3 &
18328  )
18329  e_3_1_3 = zeta*( c1*e_2_0_3 &
18330  +c2*e_3_0_3&
18331 
18332  )
18333  e_4_1_3 = zeta*( c1*e_3_0_3 &
18334 
18335 
18336  )
18337  e_0_2_3 = zeta*( &
18338  +c2*e_0_1_3&
18339  +2*e_1_1_3 &
18340  -2*e_0_0_3)
18341  e_1_2_3 = zeta*( c1*e_0_1_3 &
18342  +c2*e_1_1_3&
18343  +4*e_2_1_3 &
18344  -2*e_1_0_3)
18345  e_2_2_3 = zeta*( c1*e_1_1_3 &
18346  +c2*e_2_1_3&
18347  +6*e_3_1_3 &
18348  -2*e_2_0_3)
18349  e_3_2_3 = zeta*( c1*e_2_1_3 &
18350  +c2*e_3_1_3&
18351  +8*e_4_1_3 &
18352  -2*e_3_0_3)
18353  e_4_2_3 = zeta*( c1*e_3_1_3 &
18354  +c2*e_4_1_3&
18355 
18356  )
18357  e_5_2_3 = zeta*( c1*e_4_1_3 &
18358 
18359 
18360  )
18361 
18362  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
18363  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
18364  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
18365  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
18366  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
18367  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
18368  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
18369  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
18370  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
18371  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
18372  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
18373  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
18374  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
18375  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
18376  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
18377  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
18378  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
18379  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
18380  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
18381  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
18382  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
18383  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
18384  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
18385  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
18386  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
18387  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
18388  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
18389  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
18390  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
18391  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
18392  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
18393  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
18394  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
18395  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
18396  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
18397  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
18398  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
18399  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
18400  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
18401  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
18402  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
18403  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
18404  r1 = r1 + dr
18405  END DO
18406 
18407  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
18408  END SUBROUTINE
18409  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_3_1_exp_0 ( &
18410  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
18411  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
18412  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
18413  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
18414  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
18415  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
18416  r_pow_t, r_tmp, rr1_delta, rr2_delta
18417 
18418  REAL(kind=dp) :: c1, c2, c3
18419  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
18420  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
18421  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
18422  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
18423  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
18424  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
18425  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
18426  & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
18427  & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3
18428 
18429 
18430  dr = lgth
18431  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
18432 
18433  s_r(:, :, :) = 0.0_dp
18434 
18435  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
18436 
18437  h_to_c_0_0 = sqrt(alpha/pi)
18438 
18439  h_to_c_0_1 = 0.0_dp
18440  h_to_c_1_1 = +2*alpha*h_to_c_0_0
18441  h_to_c_0_2 = -1*h_to_c_1_1
18442  h_to_c_1_2 = +2*alpha*h_to_c_0_1
18443  h_to_c_2_2 = +2*alpha*h_to_c_1_1
18444  h_to_c_0_3 = -1*h_to_c_1_2
18445  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
18446  h_to_c_2_3 = +2*alpha*h_to_c_1_2
18447  h_to_c_3_3 = +2*alpha*h_to_c_2_2
18448  h_to_c_0_4 = -1*h_to_c_1_3
18449  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
18450  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
18451  h_to_c_3_4 = +2*alpha*h_to_c_2_3
18452  h_to_c_4_4 = +2*alpha*h_to_c_3_3
18453  h_to_c_0_5 = -1*h_to_c_1_4
18454  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
18455  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
18456  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
18457  h_to_c_4_5 = +2*alpha*h_to_c_3_4
18458  h_to_c_5_5 = +2*alpha*h_to_c_4_4
18459  h_to_c_0_6 = -1*h_to_c_1_5
18460  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
18461  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
18462  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
18463  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
18464  h_to_c_5_6 = +2*alpha*h_to_c_4_5
18465  h_to_c_6_6 = +2*alpha*h_to_c_5_5
18466 
18467 
18468  rr1_delta = (ra - rb)/dr
18469 
18470  rr1_l = ceiling(-r_c(1) + rr1_delta)
18471  rr1_r = floor(r_c(1) + rr1_delta)
18472 
18473  r1 = rr1_l*dr
18474 
18475  alpha_e = zeta*zetb/(zeta + zetb)
18476 
18477  DO rr1 = rr1_l, rr1_r
18478  s_r_t_0 = 0.0_dp
18479  s_r_t2_0 = 0.0_dp
18480  s_r_t_1 = 0.0_dp
18481  s_r_t2_1 = 0.0_dp
18482  s_r_t_2 = 0.0_dp
18483  s_r_t2_2 = 0.0_dp
18484  s_r_t_3 = 0.0_dp
18485  s_r_t2_3 = 0.0_dp
18486  s_r_t_4 = 0.0_dp
18487  s_r_t2_4 = 0.0_dp
18488  s_r_t_5 = 0.0_dp
18489  s_r_t2_5 = 0.0_dp
18490  s_r_t_6 = 0.0_dp
18491  s_r_t2_6 = 0.0_dp
18492  r_tmp = r_offset + r1*zeta/(zeta + zetb)
18493  rr2_delta = -r_tmp/dr
18494 
18495  rr2_l = ceiling(-r_c(2) + rr2_delta)
18496  rr2_r = floor(r_c(2) + rr2_delta)
18497 
18498  r = r_tmp + (rr2_l)*dr
18499 
18500 
18501  DO rr2 = rr2_l, rr2_r
18502  r_pow_t = 1.0_dp
18503  exp2_rsq = exp(-alpha*r*r)
18504  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
18505  r_pow_t = r_pow_t*r
18506  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
18507  r_pow_t = r_pow_t*r
18508  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
18509  r_pow_t = r_pow_t*r
18510  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
18511  r_pow_t = r_pow_t*r
18512  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
18513  r_pow_t = r_pow_t*r
18514  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
18515  r_pow_t = r_pow_t*r
18516  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
18517 
18518  r = r + dr
18519  END DO
18520 
18521  ! C --> H
18522  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
18523  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
18524  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
18525  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
18526  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
18527  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
18528  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
18529  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
18530  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
18531  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
18532  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
18533  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
18534  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
18535  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
18536  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
18537  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
18538  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
18539  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
18540  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
18541  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
18542  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
18543  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
18544  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
18545  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
18546  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
18547  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
18548  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
18549  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
18550 
18551  ! H --> HH
18552  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
18553 
18554  c1 = 1.0_dp/(zeta + zetb)
18555  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
18556  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
18557 
18558  e_0_1_0 = zeta*( &
18559  +c2*e_0_0_0&
18560 
18561  )
18562  e_0_0_1 = zetb*( &
18563  +c3*e_0_0_0&
18564 
18565  )
18566  e_1_1_0 = zeta*( c1*e_0_0_0 &
18567 
18568 
18569  )
18570  e_1_0_1 = zetb*( c1*e_0_0_0 &
18571 
18572 
18573  )
18574  e_0_2_0 = zeta*( &
18575  +c2*e_0_1_0&
18576  +2*e_1_1_0 &
18577  -2*e_0_0_0)
18578  e_0_1_1 = zetb*( &
18579  +c3*e_0_1_0&
18580  +2*e_1_1_0 &
18581  )
18582  e_1_2_0 = zeta*( c1*e_0_1_0 &
18583  +c2*e_1_1_0&
18584 
18585  )
18586  e_1_1_1 = zetb*( c1*e_0_1_0 &
18587  +c3*e_1_1_0&
18588 
18589  )
18590  e_2_2_0 = zeta*( c1*e_1_1_0 &
18591 
18592 
18593  )
18594  e_2_1_1 = zetb*( c1*e_1_1_0 &
18595 
18596 
18597  )
18598  e_0_2_1 = zetb*( &
18599  +c3*e_0_2_0&
18600  +2*e_1_2_0 &
18601  )
18602  e_1_2_1 = zetb*( c1*e_0_2_0 &
18603  +c3*e_1_2_0&
18604  +4*e_2_2_0 &
18605  )
18606  e_2_2_1 = zetb*( c1*e_1_2_0 &
18607  +c3*e_2_2_0&
18608 
18609  )
18610  e_3_2_1 = zetb*( c1*e_2_2_0 &
18611 
18612 
18613  )
18614  e_0_1_1 = zeta*( &
18615  +c2*e_0_0_1&
18616  +2*e_1_0_1 &
18617  )
18618  e_0_0_2 = zetb*( &
18619  +c3*e_0_0_1&
18620  +2*e_1_0_1 &
18621  -2*e_0_0_0)
18622  e_1_1_1 = zeta*( c1*e_0_0_1 &
18623  +c2*e_1_0_1&
18624 
18625  )
18626  e_1_0_2 = zetb*( c1*e_0_0_1 &
18627  +c3*e_1_0_1&
18628 
18629  )
18630  e_2_1_1 = zeta*( c1*e_1_0_1 &
18631 
18632 
18633  )
18634  e_2_0_2 = zetb*( c1*e_1_0_1 &
18635 
18636 
18637  )
18638  e_0_2_1 = zeta*( &
18639  +c2*e_0_1_1&
18640  +2*e_1_1_1 &
18641  -2*e_0_0_1)
18642  e_0_1_2 = zetb*( &
18643  +c3*e_0_1_1&
18644  +2*e_1_1_1 &
18645  -2*e_0_1_0)
18646  e_1_2_1 = zeta*( c1*e_0_1_1 &
18647  +c2*e_1_1_1&
18648  +4*e_2_1_1 &
18649  -2*e_1_0_1)
18650  e_1_1_2 = zetb*( c1*e_0_1_1 &
18651  +c3*e_1_1_1&
18652  +4*e_2_1_1 &
18653  -2*e_1_1_0)
18654  e_2_2_1 = zeta*( c1*e_1_1_1 &
18655  +c2*e_2_1_1&
18656 
18657  )
18658  e_2_1_2 = zetb*( c1*e_1_1_1 &
18659  +c3*e_2_1_1&
18660 
18661  )
18662  e_3_2_1 = zeta*( c1*e_2_1_1 &
18663 
18664 
18665  )
18666  e_3_1_2 = zetb*( c1*e_2_1_1 &
18667 
18668 
18669  )
18670  e_0_2_2 = zetb*( &
18671  +c3*e_0_2_1&
18672  +2*e_1_2_1 &
18673  -2*e_0_2_0)
18674  e_1_2_2 = zetb*( c1*e_0_2_1 &
18675  +c3*e_1_2_1&
18676  +4*e_2_2_1 &
18677  -2*e_1_2_0)
18678  e_2_2_2 = zetb*( c1*e_1_2_1 &
18679  +c3*e_2_2_1&
18680  +6*e_3_2_1 &
18681  -2*e_2_2_0)
18682  e_3_2_2 = zetb*( c1*e_2_2_1 &
18683  +c3*e_3_2_1&
18684 
18685  )
18686  e_4_2_2 = zetb*( c1*e_3_2_1 &
18687 
18688 
18689  )
18690  e_0_1_2 = zeta*( &
18691  +c2*e_0_0_2&
18692  +2*e_1_0_2 &
18693  )
18694  e_0_0_3 = zetb*( &
18695  +c3*e_0_0_2&
18696  +2*e_1_0_2 &
18697  -4*e_0_0_1)
18698  e_1_1_2 = zeta*( c1*e_0_0_2 &
18699  +c2*e_1_0_2&
18700  +4*e_2_0_2 &
18701  )
18702  e_1_0_3 = zetb*( c1*e_0_0_2 &
18703  +c3*e_1_0_2&
18704  +4*e_2_0_2 &
18705  -4*e_1_0_1)
18706  e_2_1_2 = zeta*( c1*e_1_0_2 &
18707  +c2*e_2_0_2&
18708 
18709  )
18710  e_2_0_3 = zetb*( c1*e_1_0_2 &
18711  +c3*e_2_0_2&
18712 
18713  )
18714  e_3_1_2 = zeta*( c1*e_2_0_2 &
18715 
18716 
18717  )
18718  e_3_0_3 = zetb*( c1*e_2_0_2 &
18719 
18720 
18721  )
18722  e_0_2_2 = zeta*( &
18723  +c2*e_0_1_2&
18724  +2*e_1_1_2 &
18725  -2*e_0_0_2)
18726  e_0_1_3 = zetb*( &
18727  +c3*e_0_1_2&
18728  +2*e_1_1_2 &
18729  -4*e_0_1_1)
18730  e_1_2_2 = zeta*( c1*e_0_1_2 &
18731  +c2*e_1_1_2&
18732  +4*e_2_1_2 &
18733  -2*e_1_0_2)
18734  e_1_1_3 = zetb*( c1*e_0_1_2 &
18735  +c3*e_1_1_2&
18736  +4*e_2_1_2 &
18737  -4*e_1_1_1)
18738  e_2_2_2 = zeta*( c1*e_1_1_2 &
18739  +c2*e_2_1_2&
18740  +6*e_3_1_2 &
18741  -2*e_2_0_2)
18742  e_2_1_3 = zetb*( c1*e_1_1_2 &
18743  +c3*e_2_1_2&
18744  +6*e_3_1_2 &
18745  -4*e_2_1_1)
18746  e_3_2_2 = zeta*( c1*e_2_1_2 &
18747  +c2*e_3_1_2&
18748 
18749  )
18750  e_3_1_3 = zetb*( c1*e_2_1_2 &
18751  +c3*e_3_1_2&
18752 
18753  )
18754  e_4_2_2 = zeta*( c1*e_3_1_2 &
18755 
18756 
18757  )
18758  e_4_1_3 = zetb*( c1*e_3_1_2 &
18759 
18760 
18761  )
18762  e_0_2_3 = zetb*( &
18763  +c3*e_0_2_2&
18764  +2*e_1_2_2 &
18765  -4*e_0_2_1)
18766  e_1_2_3 = zetb*( c1*e_0_2_2 &
18767  +c3*e_1_2_2&
18768  +4*e_2_2_2 &
18769  -4*e_1_2_1)
18770  e_2_2_3 = zetb*( c1*e_1_2_2 &
18771  +c3*e_2_2_2&
18772  +6*e_3_2_2 &
18773  -4*e_2_2_1)
18774  e_3_2_3 = zetb*( c1*e_2_2_2 &
18775  +c3*e_3_2_2&
18776  +8*e_4_2_2 &
18777  -4*e_3_2_1)
18778  e_4_2_3 = zetb*( c1*e_3_2_2 &
18779  +c3*e_4_2_2&
18780 
18781  )
18782  e_5_2_3 = zetb*( c1*e_4_2_2 &
18783 
18784 
18785  )
18786  e_0_1_3 = zeta*( &
18787  +c2*e_0_0_3&
18788  +2*e_1_0_3 &
18789  )
18790  e_1_1_3 = zeta*( c1*e_0_0_3 &
18791  +c2*e_1_0_3&
18792  +4*e_2_0_3 &
18793  )
18794  e_2_1_3 = zeta*( c1*e_1_0_3 &
18795  +c2*e_2_0_3&
18796  +6*e_3_0_3 &
18797  )
18798  e_3_1_3 = zeta*( c1*e_2_0_3 &
18799  +c2*e_3_0_3&
18800 
18801  )
18802  e_4_1_3 = zeta*( c1*e_3_0_3 &
18803 
18804 
18805  )
18806  e_0_2_3 = zeta*( &
18807  +c2*e_0_1_3&
18808  +2*e_1_1_3 &
18809  -2*e_0_0_3)
18810  e_1_2_3 = zeta*( c1*e_0_1_3 &
18811  +c2*e_1_1_3&
18812  +4*e_2_1_3 &
18813  -2*e_1_0_3)
18814  e_2_2_3 = zeta*( c1*e_1_1_3 &
18815  +c2*e_2_1_3&
18816  +6*e_3_1_3 &
18817  -2*e_2_0_3)
18818  e_3_2_3 = zeta*( c1*e_2_1_3 &
18819  +c2*e_3_1_3&
18820  +8*e_4_1_3 &
18821  -2*e_3_0_3)
18822  e_4_2_3 = zeta*( c1*e_3_1_3 &
18823  +c2*e_4_1_3&
18824 
18825  )
18826  e_5_2_3 = zeta*( c1*e_4_1_3 &
18827 
18828 
18829  )
18830 
18831  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
18832  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
18833  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
18834  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
18835  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
18836  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
18837  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
18838  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
18839  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
18840  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
18841  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
18842  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
18843  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
18844  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
18845  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
18846  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
18847  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
18848  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
18849  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
18850  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
18851  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
18852  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
18853  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
18854  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
18855  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
18856  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
18857  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
18858  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
18859  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
18860  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
18861  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
18862  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
18863  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
18864  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
18865  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
18866  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
18867  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
18868  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
18869  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
18870  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
18871  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
18872  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
18873  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
18874  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
18875  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
18876  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
18877  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
18878  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
18879  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
18880  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
18881  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
18882  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
18883  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
18884  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
18885  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
18886  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
18887  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
18888  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
18889  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
18890  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
18891  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
18892  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
18893  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
18894  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
18895  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
18896  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
18897  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
18898  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
18899  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
18900  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
18901  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
18902  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
18903  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
18904  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
18905  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
18906  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
18907  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
18908  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
18909  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
18910  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
18911  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
18912  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
18913  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
18914  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
18915  r1 = r1 + dr
18916  END DO
18917 
18918  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
18919  END SUBROUTINE
18920  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_3_2_exp_0 ( &
18921  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
18922  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
18923  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
18924  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
18925  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
18926  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
18927  r_pow_t, r_tmp, rr1_delta, rr2_delta
18928 
18929  REAL(kind=dp) :: c1, c2, c3
18930  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
18931  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
18932  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
18933  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
18934  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
18935  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
18936  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
18937  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
18938  & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
18939  & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3
18940 
18941 
18942  dr = lgth
18943  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
18944 
18945  s_r(:, :, :) = 0.0_dp
18946 
18947  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
18948 
18949  h_to_c_0_0 = sqrt(alpha/pi)
18950 
18951  h_to_c_0_1 = 0.0_dp
18952  h_to_c_1_1 = +2*alpha*h_to_c_0_0
18953  h_to_c_0_2 = -1*h_to_c_1_1
18954  h_to_c_1_2 = +2*alpha*h_to_c_0_1
18955  h_to_c_2_2 = +2*alpha*h_to_c_1_1
18956  h_to_c_0_3 = -1*h_to_c_1_2
18957  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
18958  h_to_c_2_3 = +2*alpha*h_to_c_1_2
18959  h_to_c_3_3 = +2*alpha*h_to_c_2_2
18960  h_to_c_0_4 = -1*h_to_c_1_3
18961  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
18962  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
18963  h_to_c_3_4 = +2*alpha*h_to_c_2_3
18964  h_to_c_4_4 = +2*alpha*h_to_c_3_3
18965  h_to_c_0_5 = -1*h_to_c_1_4
18966  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
18967  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
18968  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
18969  h_to_c_4_5 = +2*alpha*h_to_c_3_4
18970  h_to_c_5_5 = +2*alpha*h_to_c_4_4
18971  h_to_c_0_6 = -1*h_to_c_1_5
18972  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
18973  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
18974  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
18975  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
18976  h_to_c_5_6 = +2*alpha*h_to_c_4_5
18977  h_to_c_6_6 = +2*alpha*h_to_c_5_5
18978  h_to_c_0_7 = -1*h_to_c_1_6
18979  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
18980  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
18981  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
18982  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
18983  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
18984  h_to_c_6_7 = +2*alpha*h_to_c_5_6
18985  h_to_c_7_7 = +2*alpha*h_to_c_6_6
18986 
18987 
18988  rr1_delta = (ra - rb)/dr
18989 
18990  rr1_l = ceiling(-r_c(1) + rr1_delta)
18991  rr1_r = floor(r_c(1) + rr1_delta)
18992 
18993  r1 = rr1_l*dr
18994 
18995  alpha_e = zeta*zetb/(zeta + zetb)
18996 
18997  DO rr1 = rr1_l, rr1_r
18998  s_r_t_0 = 0.0_dp
18999  s_r_t2_0 = 0.0_dp
19000  s_r_t_1 = 0.0_dp
19001  s_r_t2_1 = 0.0_dp
19002  s_r_t_2 = 0.0_dp
19003  s_r_t2_2 = 0.0_dp
19004  s_r_t_3 = 0.0_dp
19005  s_r_t2_3 = 0.0_dp
19006  s_r_t_4 = 0.0_dp
19007  s_r_t2_4 = 0.0_dp
19008  s_r_t_5 = 0.0_dp
19009  s_r_t2_5 = 0.0_dp
19010  s_r_t_6 = 0.0_dp
19011  s_r_t2_6 = 0.0_dp
19012  s_r_t_7 = 0.0_dp
19013  s_r_t2_7 = 0.0_dp
19014  r_tmp = r_offset + r1*zeta/(zeta + zetb)
19015  rr2_delta = -r_tmp/dr
19016 
19017  rr2_l = ceiling(-r_c(2) + rr2_delta)
19018  rr2_r = floor(r_c(2) + rr2_delta)
19019 
19020  r = r_tmp + (rr2_l)*dr
19021 
19022 
19023  DO rr2 = rr2_l, rr2_r
19024  r_pow_t = 1.0_dp
19025  exp2_rsq = exp(-alpha*r*r)
19026  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
19027  r_pow_t = r_pow_t*r
19028  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
19029  r_pow_t = r_pow_t*r
19030  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
19031  r_pow_t = r_pow_t*r
19032  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
19033  r_pow_t = r_pow_t*r
19034  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
19035  r_pow_t = r_pow_t*r
19036  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
19037  r_pow_t = r_pow_t*r
19038  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
19039  r_pow_t = r_pow_t*r
19040  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
19041 
19042  r = r + dr
19043  END DO
19044 
19045  ! C --> H
19046  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
19047  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
19048  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
19049  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
19050  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
19051  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
19052  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
19053  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
19054  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
19055  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
19056  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
19057  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
19058  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
19059  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
19060  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
19061  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
19062  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
19063  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
19064  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
19065  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
19066  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
19067  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
19068  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
19069  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
19070  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
19071  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
19072  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
19073  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
19074  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
19075  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
19076  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
19077  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
19078  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
19079  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
19080  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
19081  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
19082 
19083  ! H --> HH
19084  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
19085 
19086  c1 = 1.0_dp/(zeta + zetb)
19087  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
19088  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
19089 
19090  e_0_1_0 = zeta*( &
19091  +c2*e_0_0_0&
19092 
19093  )
19094  e_0_0_1 = zetb*( &
19095  +c3*e_0_0_0&
19096 
19097  )
19098  e_1_1_0 = zeta*( c1*e_0_0_0 &
19099 
19100 
19101  )
19102  e_1_0_1 = zetb*( c1*e_0_0_0 &
19103 
19104 
19105  )
19106  e_0_2_0 = zeta*( &
19107  +c2*e_0_1_0&
19108  +2*e_1_1_0 &
19109  -2*e_0_0_0)
19110  e_0_1_1 = zetb*( &
19111  +c3*e_0_1_0&
19112  +2*e_1_1_0 &
19113  )
19114  e_1_2_0 = zeta*( c1*e_0_1_0 &
19115  +c2*e_1_1_0&
19116 
19117  )
19118  e_1_1_1 = zetb*( c1*e_0_1_0 &
19119  +c3*e_1_1_0&
19120 
19121  )
19122  e_2_2_0 = zeta*( c1*e_1_1_0 &
19123 
19124 
19125  )
19126  e_2_1_1 = zetb*( c1*e_1_1_0 &
19127 
19128 
19129  )
19130  e_0_2_1 = zetb*( &
19131  +c3*e_0_2_0&
19132  +2*e_1_2_0 &
19133  )
19134  e_1_2_1 = zetb*( c1*e_0_2_0 &
19135  +c3*e_1_2_0&
19136  +4*e_2_2_0 &
19137  )
19138  e_2_2_1 = zetb*( c1*e_1_2_0 &
19139  +c3*e_2_2_0&
19140 
19141  )
19142  e_3_2_1 = zetb*( c1*e_2_2_0 &
19143 
19144 
19145  )
19146  e_0_1_1 = zeta*( &
19147  +c2*e_0_0_1&
19148  +2*e_1_0_1 &
19149  )
19150  e_0_0_2 = zetb*( &
19151  +c3*e_0_0_1&
19152  +2*e_1_0_1 &
19153  -2*e_0_0_0)
19154  e_1_1_1 = zeta*( c1*e_0_0_1 &
19155  +c2*e_1_0_1&
19156 
19157  )
19158  e_1_0_2 = zetb*( c1*e_0_0_1 &
19159  +c3*e_1_0_1&
19160 
19161  )
19162  e_2_1_1 = zeta*( c1*e_1_0_1 &
19163 
19164 
19165  )
19166  e_2_0_2 = zetb*( c1*e_1_0_1 &
19167 
19168 
19169  )
19170  e_0_2_1 = zeta*( &
19171  +c2*e_0_1_1&
19172  +2*e_1_1_1 &
19173  -2*e_0_0_1)
19174  e_0_1_2 = zetb*( &
19175  +c3*e_0_1_1&
19176  +2*e_1_1_1 &
19177  -2*e_0_1_0)
19178  e_1_2_1 = zeta*( c1*e_0_1_1 &
19179  +c2*e_1_1_1&
19180  +4*e_2_1_1 &
19181  -2*e_1_0_1)
19182  e_1_1_2 = zetb*( c1*e_0_1_1 &
19183  +c3*e_1_1_1&
19184  +4*e_2_1_1 &
19185  -2*e_1_1_0)
19186  e_2_2_1 = zeta*( c1*e_1_1_1 &
19187  +c2*e_2_1_1&
19188 
19189  )
19190  e_2_1_2 = zetb*( c1*e_1_1_1 &
19191  +c3*e_2_1_1&
19192 
19193  )
19194  e_3_2_1 = zeta*( c1*e_2_1_1 &
19195 
19196 
19197  )
19198  e_3_1_2 = zetb*( c1*e_2_1_1 &
19199 
19200 
19201  )
19202  e_0_2_2 = zetb*( &
19203  +c3*e_0_2_1&
19204  +2*e_1_2_1 &
19205  -2*e_0_2_0)
19206  e_1_2_2 = zetb*( c1*e_0_2_1 &
19207  +c3*e_1_2_1&
19208  +4*e_2_2_1 &
19209  -2*e_1_2_0)
19210  e_2_2_2 = zetb*( c1*e_1_2_1 &
19211  +c3*e_2_2_1&
19212  +6*e_3_2_1 &
19213  -2*e_2_2_0)
19214  e_3_2_2 = zetb*( c1*e_2_2_1 &
19215  +c3*e_3_2_1&
19216 
19217  )
19218  e_4_2_2 = zetb*( c1*e_3_2_1 &
19219 
19220 
19221  )
19222  e_0_1_2 = zeta*( &
19223  +c2*e_0_0_2&
19224  +2*e_1_0_2 &
19225  )
19226  e_0_0_3 = zetb*( &
19227  +c3*e_0_0_2&
19228  +2*e_1_0_2 &
19229  -4*e_0_0_1)
19230  e_1_1_2 = zeta*( c1*e_0_0_2 &
19231  +c2*e_1_0_2&
19232  +4*e_2_0_2 &
19233  )
19234  e_1_0_3 = zetb*( c1*e_0_0_2 &
19235  +c3*e_1_0_2&
19236  +4*e_2_0_2 &
19237  -4*e_1_0_1)
19238  e_2_1_2 = zeta*( c1*e_1_0_2 &
19239  +c2*e_2_0_2&
19240 
19241  )
19242  e_2_0_3 = zetb*( c1*e_1_0_2 &
19243  +c3*e_2_0_2&
19244 
19245  )
19246  e_3_1_2 = zeta*( c1*e_2_0_2 &
19247 
19248 
19249  )
19250  e_3_0_3 = zetb*( c1*e_2_0_2 &
19251 
19252 
19253  )
19254  e_0_2_2 = zeta*( &
19255  +c2*e_0_1_2&
19256  +2*e_1_1_2 &
19257  -2*e_0_0_2)
19258  e_0_1_3 = zetb*( &
19259  +c3*e_0_1_2&
19260  +2*e_1_1_2 &
19261  -4*e_0_1_1)
19262  e_1_2_2 = zeta*( c1*e_0_1_2 &
19263  +c2*e_1_1_2&
19264  +4*e_2_1_2 &
19265  -2*e_1_0_2)
19266  e_1_1_3 = zetb*( c1*e_0_1_2 &
19267  +c3*e_1_1_2&
19268  +4*e_2_1_2 &
19269  -4*e_1_1_1)
19270  e_2_2_2 = zeta*( c1*e_1_1_2 &
19271  +c2*e_2_1_2&
19272  +6*e_3_1_2 &
19273  -2*e_2_0_2)
19274  e_2_1_3 = zetb*( c1*e_1_1_2 &
19275  +c3*e_2_1_2&
19276  +6*e_3_1_2 &
19277  -4*e_2_1_1)
19278  e_3_2_2 = zeta*( c1*e_2_1_2 &
19279  +c2*e_3_1_2&
19280 
19281  )
19282  e_3_1_3 = zetb*( c1*e_2_1_2 &
19283  +c3*e_3_1_2&
19284 
19285  )
19286  e_4_2_2 = zeta*( c1*e_3_1_2 &
19287 
19288 
19289  )
19290  e_4_1_3 = zetb*( c1*e_3_1_2 &
19291 
19292 
19293  )
19294  e_0_2_3 = zetb*( &
19295  +c3*e_0_2_2&
19296  +2*e_1_2_2 &
19297  -4*e_0_2_1)
19298  e_1_2_3 = zetb*( c1*e_0_2_2 &
19299  +c3*e_1_2_2&
19300  +4*e_2_2_2 &
19301  -4*e_1_2_1)
19302  e_2_2_3 = zetb*( c1*e_1_2_2 &
19303  +c3*e_2_2_2&
19304  +6*e_3_2_2 &
19305  -4*e_2_2_1)
19306  e_3_2_3 = zetb*( c1*e_2_2_2 &
19307  +c3*e_3_2_2&
19308  +8*e_4_2_2 &
19309  -4*e_3_2_1)
19310  e_4_2_3 = zetb*( c1*e_3_2_2 &
19311  +c3*e_4_2_2&
19312 
19313  )
19314  e_5_2_3 = zetb*( c1*e_4_2_2 &
19315 
19316 
19317  )
19318  e_0_1_3 = zeta*( &
19319  +c2*e_0_0_3&
19320  +2*e_1_0_3 &
19321  )
19322  e_1_1_3 = zeta*( c1*e_0_0_3 &
19323  +c2*e_1_0_3&
19324  +4*e_2_0_3 &
19325  )
19326  e_2_1_3 = zeta*( c1*e_1_0_3 &
19327  +c2*e_2_0_3&
19328  +6*e_3_0_3 &
19329  )
19330  e_3_1_3 = zeta*( c1*e_2_0_3 &
19331  +c2*e_3_0_3&
19332 
19333  )
19334  e_4_1_3 = zeta*( c1*e_3_0_3 &
19335 
19336 
19337  )
19338  e_0_2_3 = zeta*( &
19339  +c2*e_0_1_3&
19340  +2*e_1_1_3 &
19341  -2*e_0_0_3)
19342  e_1_2_3 = zeta*( c1*e_0_1_3 &
19343  +c2*e_1_1_3&
19344  +4*e_2_1_3 &
19345  -2*e_1_0_3)
19346  e_2_2_3 = zeta*( c1*e_1_1_3 &
19347  +c2*e_2_1_3&
19348  +6*e_3_1_3 &
19349  -2*e_2_0_3)
19350  e_3_2_3 = zeta*( c1*e_2_1_3 &
19351  +c2*e_3_1_3&
19352  +8*e_4_1_3 &
19353  -2*e_3_0_3)
19354  e_4_2_3 = zeta*( c1*e_3_1_3 &
19355  +c2*e_4_1_3&
19356 
19357  )
19358  e_5_2_3 = zeta*( c1*e_4_1_3 &
19359 
19360 
19361  )
19362 
19363  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
19364  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
19365  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
19366  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
19367  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
19368  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
19369  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
19370  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
19371  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
19372  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
19373  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
19374  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
19375  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
19376  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
19377  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
19378  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
19379  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
19380  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
19381  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
19382  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
19383  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
19384  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
19385  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
19386  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
19387  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
19388  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
19389  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
19390  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
19391  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
19392  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
19393  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
19394  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
19395  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
19396  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
19397  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
19398  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
19399  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
19400  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
19401  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
19402  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
19403  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
19404  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
19405  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
19406  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
19407  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
19408  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
19409  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
19410  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
19411  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
19412  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
19413  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
19414  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
19415  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
19416  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
19417  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
19418  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
19419  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
19420  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
19421  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
19422  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
19423  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
19424  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
19425  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
19426  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
19427  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
19428  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
19429  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
19430  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
19431  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
19432  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
19433  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
19434  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
19435  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
19436  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
19437  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
19438  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
19439  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
19440  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
19441  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
19442  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
19443  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
19444  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
19445  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
19446  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
19447  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
19448  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
19449  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
19450  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
19451  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
19452  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
19453  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
19454  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
19455  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
19456  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
19457  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
19458  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
19459  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
19460  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
19461  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
19462  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
19463  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
19464  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
19465  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
19466  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
19467  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
19468  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
19469  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
19470  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
19471  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
19472  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
19473  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
19474  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
19475  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
19476  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
19477  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
19478  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
19479  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
19480  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
19481  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
19482  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
19483  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
19484  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
19485  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
19486  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
19487  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
19488  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
19489  r1 = r1 + dr
19490  END DO
19491 
19492  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
19493  END SUBROUTINE
19494  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_3_3_exp_0 ( &
19495  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
19496  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
19497  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
19498  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
19499  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
19500  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
19501  r_pow_t, r_tmp, rr1_delta, rr2_delta
19502 
19503  REAL(kind=dp) :: c1, c2, c3
19504  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
19505  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
19506  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
19507  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
19508  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
19509  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
19510  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
19511  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
19512  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
19513  & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
19514  & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3
19515 
19516 
19517  dr = lgth
19518  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
19519 
19520  s_r(:, :, :) = 0.0_dp
19521 
19522  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
19523 
19524  h_to_c_0_0 = sqrt(alpha/pi)
19525 
19526  h_to_c_0_1 = 0.0_dp
19527  h_to_c_1_1 = +2*alpha*h_to_c_0_0
19528  h_to_c_0_2 = -1*h_to_c_1_1
19529  h_to_c_1_2 = +2*alpha*h_to_c_0_1
19530  h_to_c_2_2 = +2*alpha*h_to_c_1_1
19531  h_to_c_0_3 = -1*h_to_c_1_2
19532  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
19533  h_to_c_2_3 = +2*alpha*h_to_c_1_2
19534  h_to_c_3_3 = +2*alpha*h_to_c_2_2
19535  h_to_c_0_4 = -1*h_to_c_1_3
19536  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
19537  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
19538  h_to_c_3_4 = +2*alpha*h_to_c_2_3
19539  h_to_c_4_4 = +2*alpha*h_to_c_3_3
19540  h_to_c_0_5 = -1*h_to_c_1_4
19541  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
19542  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
19543  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
19544  h_to_c_4_5 = +2*alpha*h_to_c_3_4
19545  h_to_c_5_5 = +2*alpha*h_to_c_4_4
19546  h_to_c_0_6 = -1*h_to_c_1_5
19547  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
19548  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
19549  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
19550  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
19551  h_to_c_5_6 = +2*alpha*h_to_c_4_5
19552  h_to_c_6_6 = +2*alpha*h_to_c_5_5
19553  h_to_c_0_7 = -1*h_to_c_1_6
19554  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
19555  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
19556  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
19557  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
19558  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
19559  h_to_c_6_7 = +2*alpha*h_to_c_5_6
19560  h_to_c_7_7 = +2*alpha*h_to_c_6_6
19561  h_to_c_0_8 = -1*h_to_c_1_7
19562  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
19563  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
19564  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
19565  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
19566  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
19567  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
19568  h_to_c_7_8 = +2*alpha*h_to_c_6_7
19569  h_to_c_8_8 = +2*alpha*h_to_c_7_7
19570 
19571 
19572  rr1_delta = (ra - rb)/dr
19573 
19574  rr1_l = ceiling(-r_c(1) + rr1_delta)
19575  rr1_r = floor(r_c(1) + rr1_delta)
19576 
19577  r1 = rr1_l*dr
19578 
19579  alpha_e = zeta*zetb/(zeta + zetb)
19580 
19581  DO rr1 = rr1_l, rr1_r
19582  s_r_t_0 = 0.0_dp
19583  s_r_t2_0 = 0.0_dp
19584  s_r_t_1 = 0.0_dp
19585  s_r_t2_1 = 0.0_dp
19586  s_r_t_2 = 0.0_dp
19587  s_r_t2_2 = 0.0_dp
19588  s_r_t_3 = 0.0_dp
19589  s_r_t2_3 = 0.0_dp
19590  s_r_t_4 = 0.0_dp
19591  s_r_t2_4 = 0.0_dp
19592  s_r_t_5 = 0.0_dp
19593  s_r_t2_5 = 0.0_dp
19594  s_r_t_6 = 0.0_dp
19595  s_r_t2_6 = 0.0_dp
19596  s_r_t_7 = 0.0_dp
19597  s_r_t2_7 = 0.0_dp
19598  s_r_t_8 = 0.0_dp
19599  s_r_t2_8 = 0.0_dp
19600  r_tmp = r_offset + r1*zeta/(zeta + zetb)
19601  rr2_delta = -r_tmp/dr
19602 
19603  rr2_l = ceiling(-r_c(2) + rr2_delta)
19604  rr2_r = floor(r_c(2) + rr2_delta)
19605 
19606  r = r_tmp + (rr2_l)*dr
19607 
19608 
19609  DO rr2 = rr2_l, rr2_r
19610  r_pow_t = 1.0_dp
19611  exp2_rsq = exp(-alpha*r*r)
19612  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
19613  r_pow_t = r_pow_t*r
19614  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
19615  r_pow_t = r_pow_t*r
19616  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
19617  r_pow_t = r_pow_t*r
19618  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
19619  r_pow_t = r_pow_t*r
19620  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
19621  r_pow_t = r_pow_t*r
19622  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
19623  r_pow_t = r_pow_t*r
19624  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
19625  r_pow_t = r_pow_t*r
19626  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
19627  r_pow_t = r_pow_t*r
19628  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
19629 
19630  r = r + dr
19631  END DO
19632 
19633  ! C --> H
19634  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
19635  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
19636  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
19637  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
19638  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
19639  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
19640  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
19641  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
19642  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
19643  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
19644  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
19645  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
19646  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
19647  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
19648  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
19649  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
19650  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
19651  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
19652  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
19653  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
19654  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
19655  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
19656  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
19657  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
19658  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
19659  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
19660  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
19661  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
19662  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
19663  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
19664  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
19665  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
19666  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
19667  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
19668  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
19669  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
19670  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
19671  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
19672  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
19673  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
19674  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
19675  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
19676  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
19677  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
19678  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
19679 
19680  ! H --> HH
19681  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
19682 
19683  c1 = 1.0_dp/(zeta + zetb)
19684  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
19685  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
19686 
19687  e_0_1_0 = zeta*( &
19688  +c2*e_0_0_0&
19689 
19690  )
19691  e_0_0_1 = zetb*( &
19692  +c3*e_0_0_0&
19693 
19694  )
19695  e_1_1_0 = zeta*( c1*e_0_0_0 &
19696 
19697 
19698  )
19699  e_1_0_1 = zetb*( c1*e_0_0_0 &
19700 
19701 
19702  )
19703  e_0_2_0 = zeta*( &
19704  +c2*e_0_1_0&
19705  +2*e_1_1_0 &
19706  -2*e_0_0_0)
19707  e_0_1_1 = zetb*( &
19708  +c3*e_0_1_0&
19709  +2*e_1_1_0 &
19710  )
19711  e_1_2_0 = zeta*( c1*e_0_1_0 &
19712  +c2*e_1_1_0&
19713 
19714  )
19715  e_1_1_1 = zetb*( c1*e_0_1_0 &
19716  +c3*e_1_1_0&
19717 
19718  )
19719  e_2_2_0 = zeta*( c1*e_1_1_0 &
19720 
19721 
19722  )
19723  e_2_1_1 = zetb*( c1*e_1_1_0 &
19724 
19725 
19726  )
19727  e_0_2_1 = zetb*( &
19728  +c3*e_0_2_0&
19729  +2*e_1_2_0 &
19730  )
19731  e_1_2_1 = zetb*( c1*e_0_2_0 &
19732  +c3*e_1_2_0&
19733  +4*e_2_2_0 &
19734  )
19735  e_2_2_1 = zetb*( c1*e_1_2_0 &
19736  +c3*e_2_2_0&
19737 
19738  )
19739  e_3_2_1 = zetb*( c1*e_2_2_0 &
19740 
19741 
19742  )
19743  e_0_1_1 = zeta*( &
19744  +c2*e_0_0_1&
19745  +2*e_1_0_1 &
19746  )
19747  e_0_0_2 = zetb*( &
19748  +c3*e_0_0_1&
19749  +2*e_1_0_1 &
19750  -2*e_0_0_0)
19751  e_1_1_1 = zeta*( c1*e_0_0_1 &
19752  +c2*e_1_0_1&
19753 
19754  )
19755  e_1_0_2 = zetb*( c1*e_0_0_1 &
19756  +c3*e_1_0_1&
19757 
19758  )
19759  e_2_1_1 = zeta*( c1*e_1_0_1 &
19760 
19761 
19762  )
19763  e_2_0_2 = zetb*( c1*e_1_0_1 &
19764 
19765 
19766  )
19767  e_0_2_1 = zeta*( &
19768  +c2*e_0_1_1&
19769  +2*e_1_1_1 &
19770  -2*e_0_0_1)
19771  e_0_1_2 = zetb*( &
19772  +c3*e_0_1_1&
19773  +2*e_1_1_1 &
19774  -2*e_0_1_0)
19775  e_1_2_1 = zeta*( c1*e_0_1_1 &
19776  +c2*e_1_1_1&
19777  +4*e_2_1_1 &
19778  -2*e_1_0_1)
19779  e_1_1_2 = zetb*( c1*e_0_1_1 &
19780  +c3*e_1_1_1&
19781  +4*e_2_1_1 &
19782  -2*e_1_1_0)
19783  e_2_2_1 = zeta*( c1*e_1_1_1 &
19784  +c2*e_2_1_1&
19785 
19786  )
19787  e_2_1_2 = zetb*( c1*e_1_1_1 &
19788  +c3*e_2_1_1&
19789 
19790  )
19791  e_3_2_1 = zeta*( c1*e_2_1_1 &
19792 
19793 
19794  )
19795  e_3_1_2 = zetb*( c1*e_2_1_1 &
19796 
19797 
19798  )
19799  e_0_2_2 = zetb*( &
19800  +c3*e_0_2_1&
19801  +2*e_1_2_1 &
19802  -2*e_0_2_0)
19803  e_1_2_2 = zetb*( c1*e_0_2_1 &
19804  +c3*e_1_2_1&
19805  +4*e_2_2_1 &
19806  -2*e_1_2_0)
19807  e_2_2_2 = zetb*( c1*e_1_2_1 &
19808  +c3*e_2_2_1&
19809  +6*e_3_2_1 &
19810  -2*e_2_2_0)
19811  e_3_2_2 = zetb*( c1*e_2_2_1 &
19812  +c3*e_3_2_1&
19813 
19814  )
19815  e_4_2_2 = zetb*( c1*e_3_2_1 &
19816 
19817 
19818  )
19819  e_0_1_2 = zeta*( &
19820  +c2*e_0_0_2&
19821  +2*e_1_0_2 &
19822  )
19823  e_0_0_3 = zetb*( &
19824  +c3*e_0_0_2&
19825  +2*e_1_0_2 &
19826  -4*e_0_0_1)
19827  e_1_1_2 = zeta*( c1*e_0_0_2 &
19828  +c2*e_1_0_2&
19829  +4*e_2_0_2 &
19830  )
19831  e_1_0_3 = zetb*( c1*e_0_0_2 &
19832  +c3*e_1_0_2&
19833  +4*e_2_0_2 &
19834  -4*e_1_0_1)
19835  e_2_1_2 = zeta*( c1*e_1_0_2 &
19836  +c2*e_2_0_2&
19837 
19838  )
19839  e_2_0_3 = zetb*( c1*e_1_0_2 &
19840  +c3*e_2_0_2&
19841 
19842  )
19843  e_3_1_2 = zeta*( c1*e_2_0_2 &
19844 
19845 
19846  )
19847  e_3_0_3 = zetb*( c1*e_2_0_2 &
19848 
19849 
19850  )
19851  e_0_2_2 = zeta*( &
19852  +c2*e_0_1_2&
19853  +2*e_1_1_2 &
19854  -2*e_0_0_2)
19855  e_0_1_3 = zetb*( &
19856  +c3*e_0_1_2&
19857  +2*e_1_1_2 &
19858  -4*e_0_1_1)
19859  e_1_2_2 = zeta*( c1*e_0_1_2 &
19860  +c2*e_1_1_2&
19861  +4*e_2_1_2 &
19862  -2*e_1_0_2)
19863  e_1_1_3 = zetb*( c1*e_0_1_2 &
19864  +c3*e_1_1_2&
19865  +4*e_2_1_2 &
19866  -4*e_1_1_1)
19867  e_2_2_2 = zeta*( c1*e_1_1_2 &
19868  +c2*e_2_1_2&
19869  +6*e_3_1_2 &
19870  -2*e_2_0_2)
19871  e_2_1_3 = zetb*( c1*e_1_1_2 &
19872  +c3*e_2_1_2&
19873  +6*e_3_1_2 &
19874  -4*e_2_1_1)
19875  e_3_2_2 = zeta*( c1*e_2_1_2 &
19876  +c2*e_3_1_2&
19877 
19878  )
19879  e_3_1_3 = zetb*( c1*e_2_1_2 &
19880  +c3*e_3_1_2&
19881 
19882  )
19883  e_4_2_2 = zeta*( c1*e_3_1_2 &
19884 
19885 
19886  )
19887  e_4_1_3 = zetb*( c1*e_3_1_2 &
19888 
19889 
19890  )
19891  e_0_2_3 = zetb*( &
19892  +c3*e_0_2_2&
19893  +2*e_1_2_2 &
19894  -4*e_0_2_1)
19895  e_1_2_3 = zetb*( c1*e_0_2_2 &
19896  +c3*e_1_2_2&
19897  +4*e_2_2_2 &
19898  -4*e_1_2_1)
19899  e_2_2_3 = zetb*( c1*e_1_2_2 &
19900  +c3*e_2_2_2&
19901  +6*e_3_2_2 &
19902  -4*e_2_2_1)
19903  e_3_2_3 = zetb*( c1*e_2_2_2 &
19904  +c3*e_3_2_2&
19905  +8*e_4_2_2 &
19906  -4*e_3_2_1)
19907  e_4_2_3 = zetb*( c1*e_3_2_2 &
19908  +c3*e_4_2_2&
19909 
19910  )
19911  e_5_2_3 = zetb*( c1*e_4_2_2 &
19912 
19913 
19914  )
19915  e_0_1_3 = zeta*( &
19916  +c2*e_0_0_3&
19917  +2*e_1_0_3 &
19918  )
19919  e_1_1_3 = zeta*( c1*e_0_0_3 &
19920  +c2*e_1_0_3&
19921  +4*e_2_0_3 &
19922  )
19923  e_2_1_3 = zeta*( c1*e_1_0_3 &
19924  +c2*e_2_0_3&
19925  +6*e_3_0_3 &
19926  )
19927  e_3_1_3 = zeta*( c1*e_2_0_3 &
19928  +c2*e_3_0_3&
19929 
19930  )
19931  e_4_1_3 = zeta*( c1*e_3_0_3 &
19932 
19933 
19934  )
19935  e_0_2_3 = zeta*( &
19936  +c2*e_0_1_3&
19937  +2*e_1_1_3 &
19938  -2*e_0_0_3)
19939  e_1_2_3 = zeta*( c1*e_0_1_3 &
19940  +c2*e_1_1_3&
19941  +4*e_2_1_3 &
19942  -2*e_1_0_3)
19943  e_2_2_3 = zeta*( c1*e_1_1_3 &
19944  +c2*e_2_1_3&
19945  +6*e_3_1_3 &
19946  -2*e_2_0_3)
19947  e_3_2_3 = zeta*( c1*e_2_1_3 &
19948  +c2*e_3_1_3&
19949  +8*e_4_1_3 &
19950  -2*e_3_0_3)
19951  e_4_2_3 = zeta*( c1*e_3_1_3 &
19952  +c2*e_4_1_3&
19953 
19954  )
19955  e_5_2_3 = zeta*( c1*e_4_1_3 &
19956 
19957 
19958  )
19959 
19960  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
19961  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
19962  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
19963  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
19964  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
19965  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
19966  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
19967  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
19968  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
19969  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
19970  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
19971  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
19972  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
19973  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
19974  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
19975  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
19976  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
19977  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
19978  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
19979  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
19980  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
19981  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
19982  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
19983  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
19984  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
19985  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
19986  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
19987  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
19988  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
19989  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
19990  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
19991  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
19992  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
19993  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
19994  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
19995  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
19996  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
19997  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
19998  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
19999  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
20000  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
20001  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
20002  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
20003  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
20004  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
20005  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
20006  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
20007  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
20008  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
20009  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
20010  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
20011  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
20012  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
20013  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
20014  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
20015  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
20016  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
20017  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
20018  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
20019  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
20020  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
20021  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
20022  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
20023  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
20024  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
20025  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
20026  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
20027  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
20028  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
20029  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
20030  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
20031  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
20032  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
20033  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
20034  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
20035  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
20036  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
20037  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
20038  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
20039  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
20040  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
20041  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
20042  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
20043  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
20044  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
20045  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
20046  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
20047  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
20048  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
20049  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
20050  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
20051  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
20052  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
20053  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
20054  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
20055  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
20056  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
20057  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
20058  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
20059  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
20060  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
20061  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
20062  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
20063  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
20064  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
20065  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
20066  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
20067  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
20068  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
20069  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
20070  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
20071  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
20072  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
20073  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
20074  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
20075  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
20076  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
20077  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
20078  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
20079  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
20080  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
20081  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
20082  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
20083  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
20084  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
20085  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
20086  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
20087  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
20088  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
20089  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
20090  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
20091  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
20092  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
20093  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
20094  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
20095  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
20096  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
20097  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
20098  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
20099  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
20100  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
20101  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
20102  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
20103  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
20104  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
20105  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
20106  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
20107  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
20108  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
20109  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
20110  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
20111  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
20112  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
20113  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
20114  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
20115  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
20116  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
20117  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
20118  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
20119  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
20120  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
20121  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
20122  s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
20123  s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
20124  s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
20125  s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
20126  s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
20127  s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
20128  r1 = r1 + dr
20129  END DO
20130 
20131  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
20132  END SUBROUTINE
20133  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_3_4_exp_0 ( &
20134  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
20135  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
20136  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
20137  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
20138  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
20139  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
20140  r_pow_t, r_tmp, rr1_delta, rr2_delta
20141 
20142  REAL(kind=dp) :: c1, c2, c3
20143  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
20144  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
20145  & s_r_t2_9
20146  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
20147  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
20148  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
20149  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
20150  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
20151  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
20152  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
20153  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
20154  & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
20155  & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3
20156 
20157 
20158  dr = lgth
20159  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
20160 
20161  s_r(:, :, :) = 0.0_dp
20162 
20163  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
20164 
20165  h_to_c_0_0 = sqrt(alpha/pi)
20166 
20167  h_to_c_0_1 = 0.0_dp
20168  h_to_c_1_1 = +2*alpha*h_to_c_0_0
20169  h_to_c_0_2 = -1*h_to_c_1_1
20170  h_to_c_1_2 = +2*alpha*h_to_c_0_1
20171  h_to_c_2_2 = +2*alpha*h_to_c_1_1
20172  h_to_c_0_3 = -1*h_to_c_1_2
20173  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
20174  h_to_c_2_3 = +2*alpha*h_to_c_1_2
20175  h_to_c_3_3 = +2*alpha*h_to_c_2_2
20176  h_to_c_0_4 = -1*h_to_c_1_3
20177  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
20178  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
20179  h_to_c_3_4 = +2*alpha*h_to_c_2_3
20180  h_to_c_4_4 = +2*alpha*h_to_c_3_3
20181  h_to_c_0_5 = -1*h_to_c_1_4
20182  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
20183  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
20184  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
20185  h_to_c_4_5 = +2*alpha*h_to_c_3_4
20186  h_to_c_5_5 = +2*alpha*h_to_c_4_4
20187  h_to_c_0_6 = -1*h_to_c_1_5
20188  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
20189  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
20190  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
20191  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
20192  h_to_c_5_6 = +2*alpha*h_to_c_4_5
20193  h_to_c_6_6 = +2*alpha*h_to_c_5_5
20194  h_to_c_0_7 = -1*h_to_c_1_6
20195  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
20196  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
20197  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
20198  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
20199  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
20200  h_to_c_6_7 = +2*alpha*h_to_c_5_6
20201  h_to_c_7_7 = +2*alpha*h_to_c_6_6
20202  h_to_c_0_8 = -1*h_to_c_1_7
20203  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
20204  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
20205  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
20206  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
20207  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
20208  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
20209  h_to_c_7_8 = +2*alpha*h_to_c_6_7
20210  h_to_c_8_8 = +2*alpha*h_to_c_7_7
20211  h_to_c_0_9 = -1*h_to_c_1_8
20212  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
20213  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
20214  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
20215  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
20216  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
20217  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
20218  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
20219  h_to_c_8_9 = +2*alpha*h_to_c_7_8
20220  h_to_c_9_9 = +2*alpha*h_to_c_8_8
20221 
20222 
20223  rr1_delta = (ra - rb)/dr
20224 
20225  rr1_l = ceiling(-r_c(1) + rr1_delta)
20226  rr1_r = floor(r_c(1) + rr1_delta)
20227 
20228  r1 = rr1_l*dr
20229 
20230  alpha_e = zeta*zetb/(zeta + zetb)
20231 
20232  DO rr1 = rr1_l, rr1_r
20233  s_r_t_0 = 0.0_dp
20234  s_r_t2_0 = 0.0_dp
20235  s_r_t_1 = 0.0_dp
20236  s_r_t2_1 = 0.0_dp
20237  s_r_t_2 = 0.0_dp
20238  s_r_t2_2 = 0.0_dp
20239  s_r_t_3 = 0.0_dp
20240  s_r_t2_3 = 0.0_dp
20241  s_r_t_4 = 0.0_dp
20242  s_r_t2_4 = 0.0_dp
20243  s_r_t_5 = 0.0_dp
20244  s_r_t2_5 = 0.0_dp
20245  s_r_t_6 = 0.0_dp
20246  s_r_t2_6 = 0.0_dp
20247  s_r_t_7 = 0.0_dp
20248  s_r_t2_7 = 0.0_dp
20249  s_r_t_8 = 0.0_dp
20250  s_r_t2_8 = 0.0_dp
20251  s_r_t_9 = 0.0_dp
20252  s_r_t2_9 = 0.0_dp
20253  r_tmp = r_offset + r1*zeta/(zeta + zetb)
20254  rr2_delta = -r_tmp/dr
20255 
20256  rr2_l = ceiling(-r_c(2) + rr2_delta)
20257  rr2_r = floor(r_c(2) + rr2_delta)
20258 
20259  r = r_tmp + (rr2_l)*dr
20260 
20261 
20262  DO rr2 = rr2_l, rr2_r
20263  r_pow_t = 1.0_dp
20264  exp2_rsq = exp(-alpha*r*r)
20265  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
20266  r_pow_t = r_pow_t*r
20267  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
20268  r_pow_t = r_pow_t*r
20269  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
20270  r_pow_t = r_pow_t*r
20271  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
20272  r_pow_t = r_pow_t*r
20273  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
20274  r_pow_t = r_pow_t*r
20275  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
20276  r_pow_t = r_pow_t*r
20277  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
20278  r_pow_t = r_pow_t*r
20279  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
20280  r_pow_t = r_pow_t*r
20281  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
20282  r_pow_t = r_pow_t*r
20283  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
20284 
20285  r = r + dr
20286  END DO
20287 
20288  ! C --> H
20289  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
20290  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
20291  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
20292  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
20293  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
20294  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
20295  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
20296  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
20297  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
20298  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
20299  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
20300  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
20301  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
20302  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
20303  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
20304  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
20305  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
20306  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
20307  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
20308  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
20309  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
20310  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
20311  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
20312  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
20313  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
20314  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
20315  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
20316  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
20317  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
20318  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
20319  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
20320  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
20321  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
20322  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
20323  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
20324  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
20325  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
20326  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
20327  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
20328  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
20329  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
20330  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
20331  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
20332  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
20333  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
20334  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
20335  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
20336  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
20337  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
20338  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
20339  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
20340  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
20341  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
20342  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
20343  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
20344 
20345  ! H --> HH
20346  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
20347 
20348  c1 = 1.0_dp/(zeta + zetb)
20349  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
20350  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
20351 
20352  e_0_1_0 = zeta*( &
20353  +c2*e_0_0_0&
20354 
20355  )
20356  e_0_0_1 = zetb*( &
20357  +c3*e_0_0_0&
20358 
20359  )
20360  e_1_1_0 = zeta*( c1*e_0_0_0 &
20361 
20362 
20363  )
20364  e_1_0_1 = zetb*( c1*e_0_0_0 &
20365 
20366 
20367  )
20368  e_0_2_0 = zeta*( &
20369  +c2*e_0_1_0&
20370  +2*e_1_1_0 &
20371  -2*e_0_0_0)
20372  e_0_1_1 = zetb*( &
20373  +c3*e_0_1_0&
20374  +2*e_1_1_0 &
20375  )
20376  e_1_2_0 = zeta*( c1*e_0_1_0 &
20377  +c2*e_1_1_0&
20378 
20379  )
20380  e_1_1_1 = zetb*( c1*e_0_1_0 &
20381  +c3*e_1_1_0&
20382 
20383  )
20384  e_2_2_0 = zeta*( c1*e_1_1_0 &
20385 
20386 
20387  )
20388  e_2_1_1 = zetb*( c1*e_1_1_0 &
20389 
20390 
20391  )
20392  e_0_2_1 = zetb*( &
20393  +c3*e_0_2_0&
20394  +2*e_1_2_0 &
20395  )
20396  e_1_2_1 = zetb*( c1*e_0_2_0 &
20397  +c3*e_1_2_0&
20398  +4*e_2_2_0 &
20399  )
20400  e_2_2_1 = zetb*( c1*e_1_2_0 &
20401  +c3*e_2_2_0&
20402 
20403  )
20404  e_3_2_1 = zetb*( c1*e_2_2_0 &
20405 
20406 
20407  )
20408  e_0_1_1 = zeta*( &
20409  +c2*e_0_0_1&
20410  +2*e_1_0_1 &
20411  )
20412  e_0_0_2 = zetb*( &
20413  +c3*e_0_0_1&
20414  +2*e_1_0_1 &
20415  -2*e_0_0_0)
20416  e_1_1_1 = zeta*( c1*e_0_0_1 &
20417  +c2*e_1_0_1&
20418 
20419  )
20420  e_1_0_2 = zetb*( c1*e_0_0_1 &
20421  +c3*e_1_0_1&
20422 
20423  )
20424  e_2_1_1 = zeta*( c1*e_1_0_1 &
20425 
20426 
20427  )
20428  e_2_0_2 = zetb*( c1*e_1_0_1 &
20429 
20430 
20431  )
20432  e_0_2_1 = zeta*( &
20433  +c2*e_0_1_1&
20434  +2*e_1_1_1 &
20435  -2*e_0_0_1)
20436  e_0_1_2 = zetb*( &
20437  +c3*e_0_1_1&
20438  +2*e_1_1_1 &
20439  -2*e_0_1_0)
20440  e_1_2_1 = zeta*( c1*e_0_1_1 &
20441  +c2*e_1_1_1&
20442  +4*e_2_1_1 &
20443  -2*e_1_0_1)
20444  e_1_1_2 = zetb*( c1*e_0_1_1 &
20445  +c3*e_1_1_1&
20446  +4*e_2_1_1 &
20447  -2*e_1_1_0)
20448  e_2_2_1 = zeta*( c1*e_1_1_1 &
20449  +c2*e_2_1_1&
20450 
20451  )
20452  e_2_1_2 = zetb*( c1*e_1_1_1 &
20453  +c3*e_2_1_1&
20454 
20455  )
20456  e_3_2_1 = zeta*( c1*e_2_1_1 &
20457 
20458 
20459  )
20460  e_3_1_2 = zetb*( c1*e_2_1_1 &
20461 
20462 
20463  )
20464  e_0_2_2 = zetb*( &
20465  +c3*e_0_2_1&
20466  +2*e_1_2_1 &
20467  -2*e_0_2_0)
20468  e_1_2_2 = zetb*( c1*e_0_2_1 &
20469  +c3*e_1_2_1&
20470  +4*e_2_2_1 &
20471  -2*e_1_2_0)
20472  e_2_2_2 = zetb*( c1*e_1_2_1 &
20473  +c3*e_2_2_1&
20474  +6*e_3_2_1 &
20475  -2*e_2_2_0)
20476  e_3_2_2 = zetb*( c1*e_2_2_1 &
20477  +c3*e_3_2_1&
20478 
20479  )
20480  e_4_2_2 = zetb*( c1*e_3_2_1 &
20481 
20482 
20483  )
20484  e_0_1_2 = zeta*( &
20485  +c2*e_0_0_2&
20486  +2*e_1_0_2 &
20487  )
20488  e_0_0_3 = zetb*( &
20489  +c3*e_0_0_2&
20490  +2*e_1_0_2 &
20491  -4*e_0_0_1)
20492  e_1_1_2 = zeta*( c1*e_0_0_2 &
20493  +c2*e_1_0_2&
20494  +4*e_2_0_2 &
20495  )
20496  e_1_0_3 = zetb*( c1*e_0_0_2 &
20497  +c3*e_1_0_2&
20498  +4*e_2_0_2 &
20499  -4*e_1_0_1)
20500  e_2_1_2 = zeta*( c1*e_1_0_2 &
20501  +c2*e_2_0_2&
20502 
20503  )
20504  e_2_0_3 = zetb*( c1*e_1_0_2 &
20505  +c3*e_2_0_2&
20506 
20507  )
20508  e_3_1_2 = zeta*( c1*e_2_0_2 &
20509 
20510 
20511  )
20512  e_3_0_3 = zetb*( c1*e_2_0_2 &
20513 
20514 
20515  )
20516  e_0_2_2 = zeta*( &
20517  +c2*e_0_1_2&
20518  +2*e_1_1_2 &
20519  -2*e_0_0_2)
20520  e_0_1_3 = zetb*( &
20521  +c3*e_0_1_2&
20522  +2*e_1_1_2 &
20523  -4*e_0_1_1)
20524  e_1_2_2 = zeta*( c1*e_0_1_2 &
20525  +c2*e_1_1_2&
20526  +4*e_2_1_2 &
20527  -2*e_1_0_2)
20528  e_1_1_3 = zetb*( c1*e_0_1_2 &
20529  +c3*e_1_1_2&
20530  +4*e_2_1_2 &
20531  -4*e_1_1_1)
20532  e_2_2_2 = zeta*( c1*e_1_1_2 &
20533  +c2*e_2_1_2&
20534  +6*e_3_1_2 &
20535  -2*e_2_0_2)
20536  e_2_1_3 = zetb*( c1*e_1_1_2 &
20537  +c3*e_2_1_2&
20538  +6*e_3_1_2 &
20539  -4*e_2_1_1)
20540  e_3_2_2 = zeta*( c1*e_2_1_2 &
20541  +c2*e_3_1_2&
20542 
20543  )
20544  e_3_1_3 = zetb*( c1*e_2_1_2 &
20545  +c3*e_3_1_2&
20546 
20547  )
20548  e_4_2_2 = zeta*( c1*e_3_1_2 &
20549 
20550 
20551  )
20552  e_4_1_3 = zetb*( c1*e_3_1_2 &
20553 
20554 
20555  )
20556  e_0_2_3 = zetb*( &
20557  +c3*e_0_2_2&
20558  +2*e_1_2_2 &
20559  -4*e_0_2_1)
20560  e_1_2_3 = zetb*( c1*e_0_2_2 &
20561  +c3*e_1_2_2&
20562  +4*e_2_2_2 &
20563  -4*e_1_2_1)
20564  e_2_2_3 = zetb*( c1*e_1_2_2 &
20565  +c3*e_2_2_2&
20566  +6*e_3_2_2 &
20567  -4*e_2_2_1)
20568  e_3_2_3 = zetb*( c1*e_2_2_2 &
20569  +c3*e_3_2_2&
20570  +8*e_4_2_2 &
20571  -4*e_3_2_1)
20572  e_4_2_3 = zetb*( c1*e_3_2_2 &
20573  +c3*e_4_2_2&
20574 
20575  )
20576  e_5_2_3 = zetb*( c1*e_4_2_2 &
20577 
20578 
20579  )
20580  e_0_1_3 = zeta*( &
20581  +c2*e_0_0_3&
20582  +2*e_1_0_3 &
20583  )
20584  e_1_1_3 = zeta*( c1*e_0_0_3 &
20585  +c2*e_1_0_3&
20586  +4*e_2_0_3 &
20587  )
20588  e_2_1_3 = zeta*( c1*e_1_0_3 &
20589  +c2*e_2_0_3&
20590  +6*e_3_0_3 &
20591  )
20592  e_3_1_3 = zeta*( c1*e_2_0_3 &
20593  +c2*e_3_0_3&
20594 
20595  )
20596  e_4_1_3 = zeta*( c1*e_3_0_3 &
20597 
20598 
20599  )
20600  e_0_2_3 = zeta*( &
20601  +c2*e_0_1_3&
20602  +2*e_1_1_3 &
20603  -2*e_0_0_3)
20604  e_1_2_3 = zeta*( c1*e_0_1_3 &
20605  +c2*e_1_1_3&
20606  +4*e_2_1_3 &
20607  -2*e_1_0_3)
20608  e_2_2_3 = zeta*( c1*e_1_1_3 &
20609  +c2*e_2_1_3&
20610  +6*e_3_1_3 &
20611  -2*e_2_0_3)
20612  e_3_2_3 = zeta*( c1*e_2_1_3 &
20613  +c2*e_3_1_3&
20614  +8*e_4_1_3 &
20615  -2*e_3_0_3)
20616  e_4_2_3 = zeta*( c1*e_3_1_3 &
20617  +c2*e_4_1_3&
20618 
20619  )
20620  e_5_2_3 = zeta*( c1*e_4_1_3 &
20621 
20622 
20623  )
20624 
20625  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
20626  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
20627  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
20628  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
20629  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
20630  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
20631  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
20632  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
20633  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
20634  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
20635  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
20636  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
20637  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
20638  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
20639  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
20640  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
20641  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
20642  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
20643  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
20644  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
20645  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
20646  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
20647  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
20648  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
20649  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
20650  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
20651  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
20652  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
20653  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
20654  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
20655  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
20656  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
20657  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
20658  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
20659  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
20660  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
20661  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
20662  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
20663  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
20664  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
20665  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
20666  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
20667  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
20668  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
20669  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
20670  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
20671  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
20672  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
20673  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
20674  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
20675  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
20676  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
20677  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
20678  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
20679  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
20680  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
20681  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
20682  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
20683  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
20684  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
20685  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
20686  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
20687  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
20688  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
20689  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
20690  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
20691  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
20692  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
20693  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
20694  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
20695  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
20696  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
20697  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
20698  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
20699  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
20700  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
20701  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
20702  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
20703  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
20704  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
20705  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
20706  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
20707  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
20708  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
20709  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
20710  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
20711  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
20712  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
20713  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
20714  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
20715  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
20716  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
20717  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
20718  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
20719  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
20720  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
20721  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
20722  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
20723  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
20724  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
20725  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
20726  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
20727  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
20728  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
20729  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
20730  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
20731  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
20732  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
20733  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
20734  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
20735  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
20736  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
20737  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
20738  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
20739  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
20740  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
20741  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
20742  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
20743  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
20744  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
20745  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
20746  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
20747  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
20748  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
20749  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
20750  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
20751  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
20752  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
20753  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
20754  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
20755  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
20756  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
20757  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
20758  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
20759  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
20760  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
20761  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
20762  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
20763  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
20764  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
20765  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
20766  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
20767  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
20768  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
20769  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
20770  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
20771  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
20772  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
20773  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
20774  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
20775  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
20776  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
20777  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
20778  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
20779  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
20780  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
20781  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
20782  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
20783  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
20784  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
20785  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
20786  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
20787  s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
20788  s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
20789  s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
20790  s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
20791  s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
20792  s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
20793  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
20794  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
20795  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
20796  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
20797  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
20798  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
20799  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
20800  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
20801  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
20802  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
20803  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
20804  s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
20805  s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
20806  s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
20807  s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
20808  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
20809  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
20810  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
20811  s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
20812  s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
20813  s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
20814  s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
20815  s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
20816  s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
20817  s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
20818  s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
20819  s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
20820  s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
20821  s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
20822  s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
20823  s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
20824  s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
20825  s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
20826  s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
20827  s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
20828  s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
20829  s_r(2, 3, 4) = s_r(2, 3, 4) + e_0_2_3*(1)*s_r_t2_4 ! cost: 5 flops
20830  s_r(2, 3, 4) = s_r(2, 3, 4) + e_1_2_3*(1)*s_r_t2_5 ! cost: 5 flops
20831  s_r(2, 3, 4) = s_r(2, 3, 4) + e_2_2_3*(1)*s_r_t2_6 ! cost: 5 flops
20832  s_r(2, 3, 4) = s_r(2, 3, 4) + e_3_2_3*(1)*s_r_t2_7 ! cost: 5 flops
20833  s_r(2, 3, 4) = s_r(2, 3, 4) + e_4_2_3*(1)*s_r_t2_8 ! cost: 5 flops
20834  s_r(2, 3, 4) = s_r(2, 3, 4) + e_5_2_3*(1)*s_r_t2_9 ! cost: 5 flops
20835  r1 = r1 + dr
20836  END DO
20837 
20838  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
20839  END SUBROUTINE
20840  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_4_0_exp_0 ( &
20841  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
20842  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
20843  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
20844  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
20845  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
20846  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
20847  r_pow_t, r_tmp, rr1_delta, rr2_delta
20848 
20849  REAL(kind=dp) :: c1, c2, c3
20850  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
20851  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
20852  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
20853  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
20854  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
20855  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
20856  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
20857  & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
20858  & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4,&
20859  & e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4, e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4
20860 
20861 
20862  dr = lgth
20863  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
20864 
20865  s_r(:, :, :) = 0.0_dp
20866 
20867  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
20868 
20869  h_to_c_0_0 = sqrt(alpha/pi)
20870 
20871  h_to_c_0_1 = 0.0_dp
20872  h_to_c_1_1 = +2*alpha*h_to_c_0_0
20873  h_to_c_0_2 = -1*h_to_c_1_1
20874  h_to_c_1_2 = +2*alpha*h_to_c_0_1
20875  h_to_c_2_2 = +2*alpha*h_to_c_1_1
20876  h_to_c_0_3 = -1*h_to_c_1_2
20877  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
20878  h_to_c_2_3 = +2*alpha*h_to_c_1_2
20879  h_to_c_3_3 = +2*alpha*h_to_c_2_2
20880  h_to_c_0_4 = -1*h_to_c_1_3
20881  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
20882  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
20883  h_to_c_3_4 = +2*alpha*h_to_c_2_3
20884  h_to_c_4_4 = +2*alpha*h_to_c_3_3
20885  h_to_c_0_5 = -1*h_to_c_1_4
20886  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
20887  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
20888  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
20889  h_to_c_4_5 = +2*alpha*h_to_c_3_4
20890  h_to_c_5_5 = +2*alpha*h_to_c_4_4
20891  h_to_c_0_6 = -1*h_to_c_1_5
20892  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
20893  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
20894  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
20895  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
20896  h_to_c_5_6 = +2*alpha*h_to_c_4_5
20897  h_to_c_6_6 = +2*alpha*h_to_c_5_5
20898 
20899 
20900  rr1_delta = (ra - rb)/dr
20901 
20902  rr1_l = ceiling(-r_c(1) + rr1_delta)
20903  rr1_r = floor(r_c(1) + rr1_delta)
20904 
20905  r1 = rr1_l*dr
20906 
20907  alpha_e = zeta*zetb/(zeta + zetb)
20908 
20909  DO rr1 = rr1_l, rr1_r
20910  s_r_t_0 = 0.0_dp
20911  s_r_t2_0 = 0.0_dp
20912  s_r_t_1 = 0.0_dp
20913  s_r_t2_1 = 0.0_dp
20914  s_r_t_2 = 0.0_dp
20915  s_r_t2_2 = 0.0_dp
20916  s_r_t_3 = 0.0_dp
20917  s_r_t2_3 = 0.0_dp
20918  s_r_t_4 = 0.0_dp
20919  s_r_t2_4 = 0.0_dp
20920  s_r_t_5 = 0.0_dp
20921  s_r_t2_5 = 0.0_dp
20922  s_r_t_6 = 0.0_dp
20923  s_r_t2_6 = 0.0_dp
20924  r_tmp = r_offset + r1*zeta/(zeta + zetb)
20925  rr2_delta = -r_tmp/dr
20926 
20927  rr2_l = ceiling(-r_c(2) + rr2_delta)
20928  rr2_r = floor(r_c(2) + rr2_delta)
20929 
20930  r = r_tmp + (rr2_l)*dr
20931 
20932 
20933  DO rr2 = rr2_l, rr2_r
20934  r_pow_t = 1.0_dp
20935  exp2_rsq = exp(-alpha*r*r)
20936  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
20937  r_pow_t = r_pow_t*r
20938  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
20939  r_pow_t = r_pow_t*r
20940  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
20941  r_pow_t = r_pow_t*r
20942  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
20943  r_pow_t = r_pow_t*r
20944  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
20945  r_pow_t = r_pow_t*r
20946  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
20947  r_pow_t = r_pow_t*r
20948  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
20949 
20950  r = r + dr
20951  END DO
20952 
20953  ! C --> H
20954  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
20955  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
20956  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
20957  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
20958  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
20959  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
20960  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
20961  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
20962  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
20963  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
20964  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
20965  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
20966  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
20967  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
20968  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
20969  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
20970  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
20971  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
20972  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
20973  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
20974  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
20975  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
20976  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
20977  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
20978  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
20979  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
20980  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
20981  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
20982 
20983  ! H --> HH
20984  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
20985 
20986  c1 = 1.0_dp/(zeta + zetb)
20987  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
20988  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
20989 
20990  e_0_1_0 = zeta*( &
20991  +c2*e_0_0_0&
20992 
20993  )
20994  e_0_0_1 = zetb*( &
20995  +c3*e_0_0_0&
20996 
20997  )
20998  e_1_1_0 = zeta*( c1*e_0_0_0 &
20999 
21000 
21001  )
21002  e_1_0_1 = zetb*( c1*e_0_0_0 &
21003 
21004 
21005  )
21006  e_0_2_0 = zeta*( &
21007  +c2*e_0_1_0&
21008  +2*e_1_1_0 &
21009  -2*e_0_0_0)
21010  e_0_1_1 = zetb*( &
21011  +c3*e_0_1_0&
21012  +2*e_1_1_0 &
21013  )
21014  e_1_2_0 = zeta*( c1*e_0_1_0 &
21015  +c2*e_1_1_0&
21016 
21017  )
21018  e_1_1_1 = zetb*( c1*e_0_1_0 &
21019  +c3*e_1_1_0&
21020 
21021  )
21022  e_2_2_0 = zeta*( c1*e_1_1_0 &
21023 
21024 
21025  )
21026  e_2_1_1 = zetb*( c1*e_1_1_0 &
21027 
21028 
21029  )
21030  e_0_2_1 = zetb*( &
21031  +c3*e_0_2_0&
21032  +2*e_1_2_0 &
21033  )
21034  e_1_2_1 = zetb*( c1*e_0_2_0 &
21035  +c3*e_1_2_0&
21036  +4*e_2_2_0 &
21037  )
21038  e_2_2_1 = zetb*( c1*e_1_2_0 &
21039  +c3*e_2_2_0&
21040 
21041  )
21042  e_3_2_1 = zetb*( c1*e_2_2_0 &
21043 
21044 
21045  )
21046  e_0_1_1 = zeta*( &
21047  +c2*e_0_0_1&
21048  +2*e_1_0_1 &
21049  )
21050  e_0_0_2 = zetb*( &
21051  +c3*e_0_0_1&
21052  +2*e_1_0_1 &
21053  -2*e_0_0_0)
21054  e_1_1_1 = zeta*( c1*e_0_0_1 &
21055  +c2*e_1_0_1&
21056 
21057  )
21058  e_1_0_2 = zetb*( c1*e_0_0_1 &
21059  +c3*e_1_0_1&
21060 
21061  )
21062  e_2_1_1 = zeta*( c1*e_1_0_1 &
21063 
21064 
21065  )
21066  e_2_0_2 = zetb*( c1*e_1_0_1 &
21067 
21068 
21069  )
21070  e_0_2_1 = zeta*( &
21071  +c2*e_0_1_1&
21072  +2*e_1_1_1 &
21073  -2*e_0_0_1)
21074  e_0_1_2 = zetb*( &
21075  +c3*e_0_1_1&
21076  +2*e_1_1_1 &
21077  -2*e_0_1_0)
21078  e_1_2_1 = zeta*( c1*e_0_1_1 &
21079  +c2*e_1_1_1&
21080  +4*e_2_1_1 &
21081  -2*e_1_0_1)
21082  e_1_1_2 = zetb*( c1*e_0_1_1 &
21083  +c3*e_1_1_1&
21084  +4*e_2_1_1 &
21085  -2*e_1_1_0)
21086  e_2_2_1 = zeta*( c1*e_1_1_1 &
21087  +c2*e_2_1_1&
21088 
21089  )
21090  e_2_1_2 = zetb*( c1*e_1_1_1 &
21091  +c3*e_2_1_1&
21092 
21093  )
21094  e_3_2_1 = zeta*( c1*e_2_1_1 &
21095 
21096 
21097  )
21098  e_3_1_2 = zetb*( c1*e_2_1_1 &
21099 
21100 
21101  )
21102  e_0_2_2 = zetb*( &
21103  +c3*e_0_2_1&
21104  +2*e_1_2_1 &
21105  -2*e_0_2_0)
21106  e_1_2_2 = zetb*( c1*e_0_2_1 &
21107  +c3*e_1_2_1&
21108  +4*e_2_2_1 &
21109  -2*e_1_2_0)
21110  e_2_2_2 = zetb*( c1*e_1_2_1 &
21111  +c3*e_2_2_1&
21112  +6*e_3_2_1 &
21113  -2*e_2_2_0)
21114  e_3_2_2 = zetb*( c1*e_2_2_1 &
21115  +c3*e_3_2_1&
21116 
21117  )
21118  e_4_2_2 = zetb*( c1*e_3_2_1 &
21119 
21120 
21121  )
21122  e_0_1_2 = zeta*( &
21123  +c2*e_0_0_2&
21124  +2*e_1_0_2 &
21125  )
21126  e_0_0_3 = zetb*( &
21127  +c3*e_0_0_2&
21128  +2*e_1_0_2 &
21129  -4*e_0_0_1)
21130  e_1_1_2 = zeta*( c1*e_0_0_2 &
21131  +c2*e_1_0_2&
21132  +4*e_2_0_2 &
21133  )
21134  e_1_0_3 = zetb*( c1*e_0_0_2 &
21135  +c3*e_1_0_2&
21136  +4*e_2_0_2 &
21137  -4*e_1_0_1)
21138  e_2_1_2 = zeta*( c1*e_1_0_2 &
21139  +c2*e_2_0_2&
21140 
21141  )
21142  e_2_0_3 = zetb*( c1*e_1_0_2 &
21143  +c3*e_2_0_2&
21144 
21145  )
21146  e_3_1_2 = zeta*( c1*e_2_0_2 &
21147 
21148 
21149  )
21150  e_3_0_3 = zetb*( c1*e_2_0_2 &
21151 
21152 
21153  )
21154  e_0_2_2 = zeta*( &
21155  +c2*e_0_1_2&
21156  +2*e_1_1_2 &
21157  -2*e_0_0_2)
21158  e_0_1_3 = zetb*( &
21159  +c3*e_0_1_2&
21160  +2*e_1_1_2 &
21161  -4*e_0_1_1)
21162  e_1_2_2 = zeta*( c1*e_0_1_2 &
21163  +c2*e_1_1_2&
21164  +4*e_2_1_2 &
21165  -2*e_1_0_2)
21166  e_1_1_3 = zetb*( c1*e_0_1_2 &
21167  +c3*e_1_1_2&
21168  +4*e_2_1_2 &
21169  -4*e_1_1_1)
21170  e_2_2_2 = zeta*( c1*e_1_1_2 &
21171  +c2*e_2_1_2&
21172  +6*e_3_1_2 &
21173  -2*e_2_0_2)
21174  e_2_1_3 = zetb*( c1*e_1_1_2 &
21175  +c3*e_2_1_2&
21176  +6*e_3_1_2 &
21177  -4*e_2_1_1)
21178  e_3_2_2 = zeta*( c1*e_2_1_2 &
21179  +c2*e_3_1_2&
21180 
21181  )
21182  e_3_1_3 = zetb*( c1*e_2_1_2 &
21183  +c3*e_3_1_2&
21184 
21185  )
21186  e_4_2_2 = zeta*( c1*e_3_1_2 &
21187 
21188 
21189  )
21190  e_4_1_3 = zetb*( c1*e_3_1_2 &
21191 
21192 
21193  )
21194  e_0_2_3 = zetb*( &
21195  +c3*e_0_2_2&
21196  +2*e_1_2_2 &
21197  -4*e_0_2_1)
21198  e_1_2_3 = zetb*( c1*e_0_2_2 &
21199  +c3*e_1_2_2&
21200  +4*e_2_2_2 &
21201  -4*e_1_2_1)
21202  e_2_2_3 = zetb*( c1*e_1_2_2 &
21203  +c3*e_2_2_2&
21204  +6*e_3_2_2 &
21205  -4*e_2_2_1)
21206  e_3_2_3 = zetb*( c1*e_2_2_2 &
21207  +c3*e_3_2_2&
21208  +8*e_4_2_2 &
21209  -4*e_3_2_1)
21210  e_4_2_3 = zetb*( c1*e_3_2_2 &
21211  +c3*e_4_2_2&
21212 
21213  )
21214  e_5_2_3 = zetb*( c1*e_4_2_2 &
21215 
21216 
21217  )
21218  e_0_1_3 = zeta*( &
21219  +c2*e_0_0_3&
21220  +2*e_1_0_3 &
21221  )
21222  e_0_0_4 = zetb*( &
21223  +c3*e_0_0_3&
21224  +2*e_1_0_3 &
21225  -6*e_0_0_2)
21226  e_1_1_3 = zeta*( c1*e_0_0_3 &
21227  +c2*e_1_0_3&
21228  +4*e_2_0_3 &
21229  )
21230  e_1_0_4 = zetb*( c1*e_0_0_3 &
21231  +c3*e_1_0_3&
21232  +4*e_2_0_3 &
21233  -6*e_1_0_2)
21234  e_2_1_3 = zeta*( c1*e_1_0_3 &
21235  +c2*e_2_0_3&
21236  +6*e_3_0_3 &
21237  )
21238  e_2_0_4 = zetb*( c1*e_1_0_3 &
21239  +c3*e_2_0_3&
21240  +6*e_3_0_3 &
21241  -6*e_2_0_2)
21242  e_3_1_3 = zeta*( c1*e_2_0_3 &
21243  +c2*e_3_0_3&
21244 
21245  )
21246  e_3_0_4 = zetb*( c1*e_2_0_3 &
21247  +c3*e_3_0_3&
21248 
21249  )
21250  e_4_1_3 = zeta*( c1*e_3_0_3 &
21251 
21252 
21253  )
21254  e_4_0_4 = zetb*( c1*e_3_0_3 &
21255 
21256 
21257  )
21258  e_0_2_3 = zeta*( &
21259  +c2*e_0_1_3&
21260  +2*e_1_1_3 &
21261  -2*e_0_0_3)
21262  e_0_1_4 = zetb*( &
21263  +c3*e_0_1_3&
21264  +2*e_1_1_3 &
21265  -6*e_0_1_2)
21266  e_1_2_3 = zeta*( c1*e_0_1_3 &
21267  +c2*e_1_1_3&
21268  +4*e_2_1_3 &
21269  -2*e_1_0_3)
21270  e_1_1_4 = zetb*( c1*e_0_1_3 &
21271  +c3*e_1_1_3&
21272  +4*e_2_1_3 &
21273  -6*e_1_1_2)
21274  e_2_2_3 = zeta*( c1*e_1_1_3 &
21275  +c2*e_2_1_3&
21276  +6*e_3_1_3 &
21277  -2*e_2_0_3)
21278  e_2_1_4 = zetb*( c1*e_1_1_3 &
21279  +c3*e_2_1_3&
21280  +6*e_3_1_3 &
21281  -6*e_2_1_2)
21282  e_3_2_3 = zeta*( c1*e_2_1_3 &
21283  +c2*e_3_1_3&
21284  +8*e_4_1_3 &
21285  -2*e_3_0_3)
21286  e_3_1_4 = zetb*( c1*e_2_1_3 &
21287  +c3*e_3_1_3&
21288  +8*e_4_1_3 &
21289  -6*e_3_1_2)
21290  e_4_2_3 = zeta*( c1*e_3_1_3 &
21291  +c2*e_4_1_3&
21292 
21293  )
21294  e_4_1_4 = zetb*( c1*e_3_1_3 &
21295  +c3*e_4_1_3&
21296 
21297  )
21298  e_5_2_3 = zeta*( c1*e_4_1_3 &
21299 
21300 
21301  )
21302  e_5_1_4 = zetb*( c1*e_4_1_3 &
21303 
21304 
21305  )
21306  e_0_2_4 = zetb*( &
21307  +c3*e_0_2_3&
21308  +2*e_1_2_3 &
21309  -6*e_0_2_2)
21310  e_1_2_4 = zetb*( c1*e_0_2_3 &
21311  +c3*e_1_2_3&
21312  +4*e_2_2_3 &
21313  -6*e_1_2_2)
21314  e_2_2_4 = zetb*( c1*e_1_2_3 &
21315  +c3*e_2_2_3&
21316  +6*e_3_2_3 &
21317  -6*e_2_2_2)
21318  e_3_2_4 = zetb*( c1*e_2_2_3 &
21319  +c3*e_3_2_3&
21320  +8*e_4_2_3 &
21321  -6*e_3_2_2)
21322  e_4_2_4 = zetb*( c1*e_3_2_3 &
21323  +c3*e_4_2_3&
21324  +10*e_5_2_3 &
21325  -6*e_4_2_2)
21326  e_5_2_4 = zetb*( c1*e_4_2_3 &
21327  +c3*e_5_2_3&
21328 
21329  )
21330  e_6_2_4 = zetb*( c1*e_5_2_3 &
21331 
21332 
21333  )
21334  e_0_1_4 = zeta*( &
21335  +c2*e_0_0_4&
21336  +2*e_1_0_4 &
21337  )
21338  e_1_1_4 = zeta*( c1*e_0_0_4 &
21339  +c2*e_1_0_4&
21340  +4*e_2_0_4 &
21341  )
21342  e_2_1_4 = zeta*( c1*e_1_0_4 &
21343  +c2*e_2_0_4&
21344  +6*e_3_0_4 &
21345  )
21346  e_3_1_4 = zeta*( c1*e_2_0_4 &
21347  +c2*e_3_0_4&
21348  +8*e_4_0_4 &
21349  )
21350  e_4_1_4 = zeta*( c1*e_3_0_4 &
21351  +c2*e_4_0_4&
21352 
21353  )
21354  e_5_1_4 = zeta*( c1*e_4_0_4 &
21355 
21356 
21357  )
21358  e_0_2_4 = zeta*( &
21359  +c2*e_0_1_4&
21360  +2*e_1_1_4 &
21361  -2*e_0_0_4)
21362  e_1_2_4 = zeta*( c1*e_0_1_4 &
21363  +c2*e_1_1_4&
21364  +4*e_2_1_4 &
21365  -2*e_1_0_4)
21366  e_2_2_4 = zeta*( c1*e_1_1_4 &
21367  +c2*e_2_1_4&
21368  +6*e_3_1_4 &
21369  -2*e_2_0_4)
21370  e_3_2_4 = zeta*( c1*e_2_1_4 &
21371  +c2*e_3_1_4&
21372  +8*e_4_1_4 &
21373  -2*e_3_0_4)
21374  e_4_2_4 = zeta*( c1*e_3_1_4 &
21375  +c2*e_4_1_4&
21376  +10*e_5_1_4 &
21377  -2*e_4_0_4)
21378  e_5_2_4 = zeta*( c1*e_4_1_4 &
21379  +c2*e_5_1_4&
21380 
21381  )
21382  e_6_2_4 = zeta*( c1*e_5_1_4 &
21383 
21384 
21385  )
21386 
21387  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
21388  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
21389  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
21390  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
21391  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
21392  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
21393  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
21394  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
21395  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
21396  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
21397  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
21398  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
21399  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
21400  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
21401  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
21402  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
21403  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
21404  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
21405  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
21406  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
21407  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
21408  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
21409  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
21410  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
21411  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
21412  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
21413  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
21414  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
21415  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
21416  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
21417  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
21418  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
21419  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
21420  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
21421  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
21422  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
21423  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
21424  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
21425  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
21426  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
21427  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
21428  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
21429  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
21430  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
21431  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
21432  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
21433  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
21434  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
21435  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
21436  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
21437  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
21438  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
21439  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
21440  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
21441  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
21442  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
21443  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
21444  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
21445  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
21446  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
21447  r1 = r1 + dr
21448  END DO
21449 
21450  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
21451  END SUBROUTINE
21452  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_4_1_exp_0 ( &
21453  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
21454  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
21455  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
21456  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
21457  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
21458  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
21459  r_pow_t, r_tmp, rr1_delta, rr2_delta
21460 
21461  REAL(kind=dp) :: c1, c2, c3
21462  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
21463  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
21464  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
21465  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
21466  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
21467  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
21468  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
21469  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
21470  & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
21471  & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4,&
21472  & e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4, e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4
21473 
21474 
21475  dr = lgth
21476  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
21477 
21478  s_r(:, :, :) = 0.0_dp
21479 
21480  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
21481 
21482  h_to_c_0_0 = sqrt(alpha/pi)
21483 
21484  h_to_c_0_1 = 0.0_dp
21485  h_to_c_1_1 = +2*alpha*h_to_c_0_0
21486  h_to_c_0_2 = -1*h_to_c_1_1
21487  h_to_c_1_2 = +2*alpha*h_to_c_0_1
21488  h_to_c_2_2 = +2*alpha*h_to_c_1_1
21489  h_to_c_0_3 = -1*h_to_c_1_2
21490  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
21491  h_to_c_2_3 = +2*alpha*h_to_c_1_2
21492  h_to_c_3_3 = +2*alpha*h_to_c_2_2
21493  h_to_c_0_4 = -1*h_to_c_1_3
21494  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
21495  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
21496  h_to_c_3_4 = +2*alpha*h_to_c_2_3
21497  h_to_c_4_4 = +2*alpha*h_to_c_3_3
21498  h_to_c_0_5 = -1*h_to_c_1_4
21499  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
21500  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
21501  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
21502  h_to_c_4_5 = +2*alpha*h_to_c_3_4
21503  h_to_c_5_5 = +2*alpha*h_to_c_4_4
21504  h_to_c_0_6 = -1*h_to_c_1_5
21505  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
21506  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
21507  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
21508  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
21509  h_to_c_5_6 = +2*alpha*h_to_c_4_5
21510  h_to_c_6_6 = +2*alpha*h_to_c_5_5
21511  h_to_c_0_7 = -1*h_to_c_1_6
21512  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
21513  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
21514  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
21515  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
21516  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
21517  h_to_c_6_7 = +2*alpha*h_to_c_5_6
21518  h_to_c_7_7 = +2*alpha*h_to_c_6_6
21519 
21520 
21521  rr1_delta = (ra - rb)/dr
21522 
21523  rr1_l = ceiling(-r_c(1) + rr1_delta)
21524  rr1_r = floor(r_c(1) + rr1_delta)
21525 
21526  r1 = rr1_l*dr
21527 
21528  alpha_e = zeta*zetb/(zeta + zetb)
21529 
21530  DO rr1 = rr1_l, rr1_r
21531  s_r_t_0 = 0.0_dp
21532  s_r_t2_0 = 0.0_dp
21533  s_r_t_1 = 0.0_dp
21534  s_r_t2_1 = 0.0_dp
21535  s_r_t_2 = 0.0_dp
21536  s_r_t2_2 = 0.0_dp
21537  s_r_t_3 = 0.0_dp
21538  s_r_t2_3 = 0.0_dp
21539  s_r_t_4 = 0.0_dp
21540  s_r_t2_4 = 0.0_dp
21541  s_r_t_5 = 0.0_dp
21542  s_r_t2_5 = 0.0_dp
21543  s_r_t_6 = 0.0_dp
21544  s_r_t2_6 = 0.0_dp
21545  s_r_t_7 = 0.0_dp
21546  s_r_t2_7 = 0.0_dp
21547  r_tmp = r_offset + r1*zeta/(zeta + zetb)
21548  rr2_delta = -r_tmp/dr
21549 
21550  rr2_l = ceiling(-r_c(2) + rr2_delta)
21551  rr2_r = floor(r_c(2) + rr2_delta)
21552 
21553  r = r_tmp + (rr2_l)*dr
21554 
21555 
21556  DO rr2 = rr2_l, rr2_r
21557  r_pow_t = 1.0_dp
21558  exp2_rsq = exp(-alpha*r*r)
21559  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
21560  r_pow_t = r_pow_t*r
21561  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
21562  r_pow_t = r_pow_t*r
21563  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
21564  r_pow_t = r_pow_t*r
21565  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
21566  r_pow_t = r_pow_t*r
21567  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
21568  r_pow_t = r_pow_t*r
21569  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
21570  r_pow_t = r_pow_t*r
21571  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
21572  r_pow_t = r_pow_t*r
21573  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
21574 
21575  r = r + dr
21576  END DO
21577 
21578  ! C --> H
21579  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
21580  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
21581  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
21582  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
21583  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
21584  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
21585  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
21586  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
21587  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
21588  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
21589  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
21590  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
21591  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
21592  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
21593  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
21594  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
21595  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
21596  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
21597  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
21598  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
21599  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
21600  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
21601  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
21602  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
21603  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
21604  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
21605  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
21606  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
21607  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
21608  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
21609  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
21610  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
21611  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
21612  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
21613  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
21614  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
21615 
21616  ! H --> HH
21617  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
21618 
21619  c1 = 1.0_dp/(zeta + zetb)
21620  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
21621  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
21622 
21623  e_0_1_0 = zeta*( &
21624  +c2*e_0_0_0&
21625 
21626  )
21627  e_0_0_1 = zetb*( &
21628  +c3*e_0_0_0&
21629 
21630  )
21631  e_1_1_0 = zeta*( c1*e_0_0_0 &
21632 
21633 
21634  )
21635  e_1_0_1 = zetb*( c1*e_0_0_0 &
21636 
21637 
21638  )
21639  e_0_2_0 = zeta*( &
21640  +c2*e_0_1_0&
21641  +2*e_1_1_0 &
21642  -2*e_0_0_0)
21643  e_0_1_1 = zetb*( &
21644  +c3*e_0_1_0&
21645  +2*e_1_1_0 &
21646  )
21647  e_1_2_0 = zeta*( c1*e_0_1_0 &
21648  +c2*e_1_1_0&
21649 
21650  )
21651  e_1_1_1 = zetb*( c1*e_0_1_0 &
21652  +c3*e_1_1_0&
21653 
21654  )
21655  e_2_2_0 = zeta*( c1*e_1_1_0 &
21656 
21657 
21658  )
21659  e_2_1_1 = zetb*( c1*e_1_1_0 &
21660 
21661 
21662  )
21663  e_0_2_1 = zetb*( &
21664  +c3*e_0_2_0&
21665  +2*e_1_2_0 &
21666  )
21667  e_1_2_1 = zetb*( c1*e_0_2_0 &
21668  +c3*e_1_2_0&
21669  +4*e_2_2_0 &
21670  )
21671  e_2_2_1 = zetb*( c1*e_1_2_0 &
21672  +c3*e_2_2_0&
21673 
21674  )
21675  e_3_2_1 = zetb*( c1*e_2_2_0 &
21676 
21677 
21678  )
21679  e_0_1_1 = zeta*( &
21680  +c2*e_0_0_1&
21681  +2*e_1_0_1 &
21682  )
21683  e_0_0_2 = zetb*( &
21684  +c3*e_0_0_1&
21685  +2*e_1_0_1 &
21686  -2*e_0_0_0)
21687  e_1_1_1 = zeta*( c1*e_0_0_1 &
21688  +c2*e_1_0_1&
21689 
21690  )
21691  e_1_0_2 = zetb*( c1*e_0_0_1 &
21692  +c3*e_1_0_1&
21693 
21694  )
21695  e_2_1_1 = zeta*( c1*e_1_0_1 &
21696 
21697 
21698  )
21699  e_2_0_2 = zetb*( c1*e_1_0_1 &
21700 
21701 
21702  )
21703  e_0_2_1 = zeta*( &
21704  +c2*e_0_1_1&
21705  +2*e_1_1_1 &
21706  -2*e_0_0_1)
21707  e_0_1_2 = zetb*( &
21708  +c3*e_0_1_1&
21709  +2*e_1_1_1 &
21710  -2*e_0_1_0)
21711  e_1_2_1 = zeta*( c1*e_0_1_1 &
21712  +c2*e_1_1_1&
21713  +4*e_2_1_1 &
21714  -2*e_1_0_1)
21715  e_1_1_2 = zetb*( c1*e_0_1_1 &
21716  +c3*e_1_1_1&
21717  +4*e_2_1_1 &
21718  -2*e_1_1_0)
21719  e_2_2_1 = zeta*( c1*e_1_1_1 &
21720  +c2*e_2_1_1&
21721 
21722  )
21723  e_2_1_2 = zetb*( c1*e_1_1_1 &
21724  +c3*e_2_1_1&
21725 
21726  )
21727  e_3_2_1 = zeta*( c1*e_2_1_1 &
21728 
21729 
21730  )
21731  e_3_1_2 = zetb*( c1*e_2_1_1 &
21732 
21733 
21734  )
21735  e_0_2_2 = zetb*( &
21736  +c3*e_0_2_1&
21737  +2*e_1_2_1 &
21738  -2*e_0_2_0)
21739  e_1_2_2 = zetb*( c1*e_0_2_1 &
21740  +c3*e_1_2_1&
21741  +4*e_2_2_1 &
21742  -2*e_1_2_0)
21743  e_2_2_2 = zetb*( c1*e_1_2_1 &
21744  +c3*e_2_2_1&
21745  +6*e_3_2_1 &
21746  -2*e_2_2_0)
21747  e_3_2_2 = zetb*( c1*e_2_2_1 &
21748  +c3*e_3_2_1&
21749 
21750  )
21751  e_4_2_2 = zetb*( c1*e_3_2_1 &
21752 
21753 
21754  )
21755  e_0_1_2 = zeta*( &
21756  +c2*e_0_0_2&
21757  +2*e_1_0_2 &
21758  )
21759  e_0_0_3 = zetb*( &
21760  +c3*e_0_0_2&
21761  +2*e_1_0_2 &
21762  -4*e_0_0_1)
21763  e_1_1_2 = zeta*( c1*e_0_0_2 &
21764  +c2*e_1_0_2&
21765  +4*e_2_0_2 &
21766  )
21767  e_1_0_3 = zetb*( c1*e_0_0_2 &
21768  +c3*e_1_0_2&
21769  +4*e_2_0_2 &
21770  -4*e_1_0_1)
21771  e_2_1_2 = zeta*( c1*e_1_0_2 &
21772  +c2*e_2_0_2&
21773 
21774  )
21775  e_2_0_3 = zetb*( c1*e_1_0_2 &
21776  +c3*e_2_0_2&
21777 
21778  )
21779  e_3_1_2 = zeta*( c1*e_2_0_2 &
21780 
21781 
21782  )
21783  e_3_0_3 = zetb*( c1*e_2_0_2 &
21784 
21785 
21786  )
21787  e_0_2_2 = zeta*( &
21788  +c2*e_0_1_2&
21789  +2*e_1_1_2 &
21790  -2*e_0_0_2)
21791  e_0_1_3 = zetb*( &
21792  +c3*e_0_1_2&
21793  +2*e_1_1_2 &
21794  -4*e_0_1_1)
21795  e_1_2_2 = zeta*( c1*e_0_1_2 &
21796  +c2*e_1_1_2&
21797  +4*e_2_1_2 &
21798  -2*e_1_0_2)
21799  e_1_1_3 = zetb*( c1*e_0_1_2 &
21800  +c3*e_1_1_2&
21801  +4*e_2_1_2 &
21802  -4*e_1_1_1)
21803  e_2_2_2 = zeta*( c1*e_1_1_2 &
21804  +c2*e_2_1_2&
21805  +6*e_3_1_2 &
21806  -2*e_2_0_2)
21807  e_2_1_3 = zetb*( c1*e_1_1_2 &
21808  +c3*e_2_1_2&
21809  +6*e_3_1_2 &
21810  -4*e_2_1_1)
21811  e_3_2_2 = zeta*( c1*e_2_1_2 &
21812  +c2*e_3_1_2&
21813 
21814  )
21815  e_3_1_3 = zetb*( c1*e_2_1_2 &
21816  +c3*e_3_1_2&
21817 
21818  )
21819  e_4_2_2 = zeta*( c1*e_3_1_2 &
21820 
21821 
21822  )
21823  e_4_1_3 = zetb*( c1*e_3_1_2 &
21824 
21825 
21826  )
21827  e_0_2_3 = zetb*( &
21828  +c3*e_0_2_2&
21829  +2*e_1_2_2 &
21830  -4*e_0_2_1)
21831  e_1_2_3 = zetb*( c1*e_0_2_2 &
21832  +c3*e_1_2_2&
21833  +4*e_2_2_2 &
21834  -4*e_1_2_1)
21835  e_2_2_3 = zetb*( c1*e_1_2_2 &
21836  +c3*e_2_2_2&
21837  +6*e_3_2_2 &
21838  -4*e_2_2_1)
21839  e_3_2_3 = zetb*( c1*e_2_2_2 &
21840  +c3*e_3_2_2&
21841  +8*e_4_2_2 &
21842  -4*e_3_2_1)
21843  e_4_2_3 = zetb*( c1*e_3_2_2 &
21844  +c3*e_4_2_2&
21845 
21846  )
21847  e_5_2_3 = zetb*( c1*e_4_2_2 &
21848 
21849 
21850  )
21851  e_0_1_3 = zeta*( &
21852  +c2*e_0_0_3&
21853  +2*e_1_0_3 &
21854  )
21855  e_0_0_4 = zetb*( &
21856  +c3*e_0_0_3&
21857  +2*e_1_0_3 &
21858  -6*e_0_0_2)
21859  e_1_1_3 = zeta*( c1*e_0_0_3 &
21860  +c2*e_1_0_3&
21861  +4*e_2_0_3 &
21862  )
21863  e_1_0_4 = zetb*( c1*e_0_0_3 &
21864  +c3*e_1_0_3&
21865  +4*e_2_0_3 &
21866  -6*e_1_0_2)
21867  e_2_1_3 = zeta*( c1*e_1_0_3 &
21868  +c2*e_2_0_3&
21869  +6*e_3_0_3 &
21870  )
21871  e_2_0_4 = zetb*( c1*e_1_0_3 &
21872  +c3*e_2_0_3&
21873  +6*e_3_0_3 &
21874  -6*e_2_0_2)
21875  e_3_1_3 = zeta*( c1*e_2_0_3 &
21876  +c2*e_3_0_3&
21877 
21878  )
21879  e_3_0_4 = zetb*( c1*e_2_0_3 &
21880  +c3*e_3_0_3&
21881 
21882  )
21883  e_4_1_3 = zeta*( c1*e_3_0_3 &
21884 
21885 
21886  )
21887  e_4_0_4 = zetb*( c1*e_3_0_3 &
21888 
21889 
21890  )
21891  e_0_2_3 = zeta*( &
21892  +c2*e_0_1_3&
21893  +2*e_1_1_3 &
21894  -2*e_0_0_3)
21895  e_0_1_4 = zetb*( &
21896  +c3*e_0_1_3&
21897  +2*e_1_1_3 &
21898  -6*e_0_1_2)
21899  e_1_2_3 = zeta*( c1*e_0_1_3 &
21900  +c2*e_1_1_3&
21901  +4*e_2_1_3 &
21902  -2*e_1_0_3)
21903  e_1_1_4 = zetb*( c1*e_0_1_3 &
21904  +c3*e_1_1_3&
21905  +4*e_2_1_3 &
21906  -6*e_1_1_2)
21907  e_2_2_3 = zeta*( c1*e_1_1_3 &
21908  +c2*e_2_1_3&
21909  +6*e_3_1_3 &
21910  -2*e_2_0_3)
21911  e_2_1_4 = zetb*( c1*e_1_1_3 &
21912  +c3*e_2_1_3&
21913  +6*e_3_1_3 &
21914  -6*e_2_1_2)
21915  e_3_2_3 = zeta*( c1*e_2_1_3 &
21916  +c2*e_3_1_3&
21917  +8*e_4_1_3 &
21918  -2*e_3_0_3)
21919  e_3_1_4 = zetb*( c1*e_2_1_3 &
21920  +c3*e_3_1_3&
21921  +8*e_4_1_3 &
21922  -6*e_3_1_2)
21923  e_4_2_3 = zeta*( c1*e_3_1_3 &
21924  +c2*e_4_1_3&
21925 
21926  )
21927  e_4_1_4 = zetb*( c1*e_3_1_3 &
21928  +c3*e_4_1_3&
21929 
21930  )
21931  e_5_2_3 = zeta*( c1*e_4_1_3 &
21932 
21933 
21934  )
21935  e_5_1_4 = zetb*( c1*e_4_1_3 &
21936 
21937 
21938  )
21939  e_0_2_4 = zetb*( &
21940  +c3*e_0_2_3&
21941  +2*e_1_2_3 &
21942  -6*e_0_2_2)
21943  e_1_2_4 = zetb*( c1*e_0_2_3 &
21944  +c3*e_1_2_3&
21945  +4*e_2_2_3 &
21946  -6*e_1_2_2)
21947  e_2_2_4 = zetb*( c1*e_1_2_3 &
21948  +c3*e_2_2_3&
21949  +6*e_3_2_3 &
21950  -6*e_2_2_2)
21951  e_3_2_4 = zetb*( c1*e_2_2_3 &
21952  +c3*e_3_2_3&
21953  +8*e_4_2_3 &
21954  -6*e_3_2_2)
21955  e_4_2_4 = zetb*( c1*e_3_2_3 &
21956  +c3*e_4_2_3&
21957  +10*e_5_2_3 &
21958  -6*e_4_2_2)
21959  e_5_2_4 = zetb*( c1*e_4_2_3 &
21960  +c3*e_5_2_3&
21961 
21962  )
21963  e_6_2_4 = zetb*( c1*e_5_2_3 &
21964 
21965 
21966  )
21967  e_0_1_4 = zeta*( &
21968  +c2*e_0_0_4&
21969  +2*e_1_0_4 &
21970  )
21971  e_1_1_4 = zeta*( c1*e_0_0_4 &
21972  +c2*e_1_0_4&
21973  +4*e_2_0_4 &
21974  )
21975  e_2_1_4 = zeta*( c1*e_1_0_4 &
21976  +c2*e_2_0_4&
21977  +6*e_3_0_4 &
21978  )
21979  e_3_1_4 = zeta*( c1*e_2_0_4 &
21980  +c2*e_3_0_4&
21981  +8*e_4_0_4 &
21982  )
21983  e_4_1_4 = zeta*( c1*e_3_0_4 &
21984  +c2*e_4_0_4&
21985 
21986  )
21987  e_5_1_4 = zeta*( c1*e_4_0_4 &
21988 
21989 
21990  )
21991  e_0_2_4 = zeta*( &
21992  +c2*e_0_1_4&
21993  +2*e_1_1_4 &
21994  -2*e_0_0_4)
21995  e_1_2_4 = zeta*( c1*e_0_1_4 &
21996  +c2*e_1_1_4&
21997  +4*e_2_1_4 &
21998  -2*e_1_0_4)
21999  e_2_2_4 = zeta*( c1*e_1_1_4 &
22000  +c2*e_2_1_4&
22001  +6*e_3_1_4 &
22002  -2*e_2_0_4)
22003  e_3_2_4 = zeta*( c1*e_2_1_4 &
22004  +c2*e_3_1_4&
22005  +8*e_4_1_4 &
22006  -2*e_3_0_4)
22007  e_4_2_4 = zeta*( c1*e_3_1_4 &
22008  +c2*e_4_1_4&
22009  +10*e_5_1_4 &
22010  -2*e_4_0_4)
22011  e_5_2_4 = zeta*( c1*e_4_1_4 &
22012  +c2*e_5_1_4&
22013 
22014  )
22015  e_6_2_4 = zeta*( c1*e_5_1_4 &
22016 
22017 
22018  )
22019 
22020  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
22021  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
22022  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
22023  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
22024  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
22025  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
22026  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
22027  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
22028  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
22029  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
22030  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
22031  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
22032  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
22033  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
22034  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
22035  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
22036  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
22037  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
22038  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
22039  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
22040  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
22041  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
22042  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
22043  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
22044  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
22045  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
22046  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
22047  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
22048  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
22049  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
22050  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
22051  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
22052  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
22053  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
22054  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
22055  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
22056  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
22057  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
22058  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
22059  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
22060  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
22061  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
22062  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
22063  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
22064  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
22065  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
22066  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
22067  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
22068  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
22069  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
22070  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
22071  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
22072  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
22073  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
22074  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
22075  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
22076  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
22077  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
22078  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
22079  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
22080  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
22081  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
22082  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
22083  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
22084  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
22085  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
22086  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
22087  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
22088  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
22089  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
22090  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
22091  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
22092  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
22093  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
22094  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
22095  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
22096  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
22097  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
22098  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
22099  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
22100  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
22101  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
22102  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
22103  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
22104  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
22105  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
22106  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
22107  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
22108  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
22109  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
22110  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
22111  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
22112  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
22113  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
22114  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
22115  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
22116  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
22117  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
22118  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
22119  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
22120  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
22121  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
22122  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
22123  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
22124  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
22125  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
22126  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
22127  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
22128  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
22129  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
22130  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
22131  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
22132  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
22133  s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
22134  s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
22135  s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
22136  s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
22137  s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
22138  s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
22139  s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
22140  r1 = r1 + dr
22141  END DO
22142 
22143  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
22144  END SUBROUTINE
22145  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_4_2_exp_0 ( &
22146  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
22147  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
22148  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
22149  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
22150  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
22151  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
22152  r_pow_t, r_tmp, rr1_delta, rr2_delta
22153 
22154  REAL(kind=dp) :: c1, c2, c3
22155  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
22156  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
22157  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
22158  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
22159  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
22160  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
22161  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
22162  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
22163  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
22164  & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
22165  & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4,&
22166  & e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4, e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4
22167 
22168 
22169  dr = lgth
22170  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
22171 
22172  s_r(:, :, :) = 0.0_dp
22173 
22174  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
22175 
22176  h_to_c_0_0 = sqrt(alpha/pi)
22177 
22178  h_to_c_0_1 = 0.0_dp
22179  h_to_c_1_1 = +2*alpha*h_to_c_0_0
22180  h_to_c_0_2 = -1*h_to_c_1_1
22181  h_to_c_1_2 = +2*alpha*h_to_c_0_1
22182  h_to_c_2_2 = +2*alpha*h_to_c_1_1
22183  h_to_c_0_3 = -1*h_to_c_1_2
22184  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
22185  h_to_c_2_3 = +2*alpha*h_to_c_1_2
22186  h_to_c_3_3 = +2*alpha*h_to_c_2_2
22187  h_to_c_0_4 = -1*h_to_c_1_3
22188  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
22189  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
22190  h_to_c_3_4 = +2*alpha*h_to_c_2_3
22191  h_to_c_4_4 = +2*alpha*h_to_c_3_3
22192  h_to_c_0_5 = -1*h_to_c_1_4
22193  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
22194  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
22195  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
22196  h_to_c_4_5 = +2*alpha*h_to_c_3_4
22197  h_to_c_5_5 = +2*alpha*h_to_c_4_4
22198  h_to_c_0_6 = -1*h_to_c_1_5
22199  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
22200  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
22201  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
22202  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
22203  h_to_c_5_6 = +2*alpha*h_to_c_4_5
22204  h_to_c_6_6 = +2*alpha*h_to_c_5_5
22205  h_to_c_0_7 = -1*h_to_c_1_6
22206  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
22207  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
22208  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
22209  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
22210  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
22211  h_to_c_6_7 = +2*alpha*h_to_c_5_6
22212  h_to_c_7_7 = +2*alpha*h_to_c_6_6
22213  h_to_c_0_8 = -1*h_to_c_1_7
22214  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
22215  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
22216  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
22217  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
22218  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
22219  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
22220  h_to_c_7_8 = +2*alpha*h_to_c_6_7
22221  h_to_c_8_8 = +2*alpha*h_to_c_7_7
22222 
22223 
22224  rr1_delta = (ra - rb)/dr
22225 
22226  rr1_l = ceiling(-r_c(1) + rr1_delta)
22227  rr1_r = floor(r_c(1) + rr1_delta)
22228 
22229  r1 = rr1_l*dr
22230 
22231  alpha_e = zeta*zetb/(zeta + zetb)
22232 
22233  DO rr1 = rr1_l, rr1_r
22234  s_r_t_0 = 0.0_dp
22235  s_r_t2_0 = 0.0_dp
22236  s_r_t_1 = 0.0_dp
22237  s_r_t2_1 = 0.0_dp
22238  s_r_t_2 = 0.0_dp
22239  s_r_t2_2 = 0.0_dp
22240  s_r_t_3 = 0.0_dp
22241  s_r_t2_3 = 0.0_dp
22242  s_r_t_4 = 0.0_dp
22243  s_r_t2_4 = 0.0_dp
22244  s_r_t_5 = 0.0_dp
22245  s_r_t2_5 = 0.0_dp
22246  s_r_t_6 = 0.0_dp
22247  s_r_t2_6 = 0.0_dp
22248  s_r_t_7 = 0.0_dp
22249  s_r_t2_7 = 0.0_dp
22250  s_r_t_8 = 0.0_dp
22251  s_r_t2_8 = 0.0_dp
22252  r_tmp = r_offset + r1*zeta/(zeta + zetb)
22253  rr2_delta = -r_tmp/dr
22254 
22255  rr2_l = ceiling(-r_c(2) + rr2_delta)
22256  rr2_r = floor(r_c(2) + rr2_delta)
22257 
22258  r = r_tmp + (rr2_l)*dr
22259 
22260 
22261  DO rr2 = rr2_l, rr2_r
22262  r_pow_t = 1.0_dp
22263  exp2_rsq = exp(-alpha*r*r)
22264  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
22265  r_pow_t = r_pow_t*r
22266  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
22267  r_pow_t = r_pow_t*r
22268  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
22269  r_pow_t = r_pow_t*r
22270  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
22271  r_pow_t = r_pow_t*r
22272  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
22273  r_pow_t = r_pow_t*r
22274  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
22275  r_pow_t = r_pow_t*r
22276  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
22277  r_pow_t = r_pow_t*r
22278  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
22279  r_pow_t = r_pow_t*r
22280  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
22281 
22282  r = r + dr
22283  END DO
22284 
22285  ! C --> H
22286  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
22287  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
22288  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
22289  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
22290  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
22291  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
22292  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
22293  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
22294  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
22295  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
22296  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
22297  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
22298  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
22299  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
22300  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
22301  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
22302  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
22303  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
22304  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
22305  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
22306  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
22307  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
22308  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
22309  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
22310  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
22311  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
22312  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
22313  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
22314  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
22315  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
22316  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
22317  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
22318  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
22319  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
22320  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
22321  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
22322  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
22323  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
22324  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
22325  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
22326  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
22327  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
22328  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
22329  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
22330  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
22331 
22332  ! H --> HH
22333  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
22334 
22335  c1 = 1.0_dp/(zeta + zetb)
22336  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
22337  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
22338 
22339  e_0_1_0 = zeta*( &
22340  +c2*e_0_0_0&
22341 
22342  )
22343  e_0_0_1 = zetb*( &
22344  +c3*e_0_0_0&
22345 
22346  )
22347  e_1_1_0 = zeta*( c1*e_0_0_0 &
22348 
22349 
22350  )
22351  e_1_0_1 = zetb*( c1*e_0_0_0 &
22352 
22353 
22354  )
22355  e_0_2_0 = zeta*( &
22356  +c2*e_0_1_0&
22357  +2*e_1_1_0 &
22358  -2*e_0_0_0)
22359  e_0_1_1 = zetb*( &
22360  +c3*e_0_1_0&
22361  +2*e_1_1_0 &
22362  )
22363  e_1_2_0 = zeta*( c1*e_0_1_0 &
22364  +c2*e_1_1_0&
22365 
22366  )
22367  e_1_1_1 = zetb*( c1*e_0_1_0 &
22368  +c3*e_1_1_0&
22369 
22370  )
22371  e_2_2_0 = zeta*( c1*e_1_1_0 &
22372 
22373 
22374  )
22375  e_2_1_1 = zetb*( c1*e_1_1_0 &
22376 
22377 
22378  )
22379  e_0_2_1 = zetb*( &
22380  +c3*e_0_2_0&
22381  +2*e_1_2_0 &
22382  )
22383  e_1_2_1 = zetb*( c1*e_0_2_0 &
22384  +c3*e_1_2_0&
22385  +4*e_2_2_0 &
22386  )
22387  e_2_2_1 = zetb*( c1*e_1_2_0 &
22388  +c3*e_2_2_0&
22389 
22390  )
22391  e_3_2_1 = zetb*( c1*e_2_2_0 &
22392 
22393 
22394  )
22395  e_0_1_1 = zeta*( &
22396  +c2*e_0_0_1&
22397  +2*e_1_0_1 &
22398  )
22399  e_0_0_2 = zetb*( &
22400  +c3*e_0_0_1&
22401  +2*e_1_0_1 &
22402  -2*e_0_0_0)
22403  e_1_1_1 = zeta*( c1*e_0_0_1 &
22404  +c2*e_1_0_1&
22405 
22406  )
22407  e_1_0_2 = zetb*( c1*e_0_0_1 &
22408  +c3*e_1_0_1&
22409 
22410  )
22411  e_2_1_1 = zeta*( c1*e_1_0_1 &
22412 
22413 
22414  )
22415  e_2_0_2 = zetb*( c1*e_1_0_1 &
22416 
22417 
22418  )
22419  e_0_2_1 = zeta*( &
22420  +c2*e_0_1_1&
22421  +2*e_1_1_1 &
22422  -2*e_0_0_1)
22423  e_0_1_2 = zetb*( &
22424  +c3*e_0_1_1&
22425  +2*e_1_1_1 &
22426  -2*e_0_1_0)
22427  e_1_2_1 = zeta*( c1*e_0_1_1 &
22428  +c2*e_1_1_1&
22429  +4*e_2_1_1 &
22430  -2*e_1_0_1)
22431  e_1_1_2 = zetb*( c1*e_0_1_1 &
22432  +c3*e_1_1_1&
22433  +4*e_2_1_1 &
22434  -2*e_1_1_0)
22435  e_2_2_1 = zeta*( c1*e_1_1_1 &
22436  +c2*e_2_1_1&
22437 
22438  )
22439  e_2_1_2 = zetb*( c1*e_1_1_1 &
22440  +c3*e_2_1_1&
22441 
22442  )
22443  e_3_2_1 = zeta*( c1*e_2_1_1 &
22444 
22445 
22446  )
22447  e_3_1_2 = zetb*( c1*e_2_1_1 &
22448 
22449 
22450  )
22451  e_0_2_2 = zetb*( &
22452  +c3*e_0_2_1&
22453  +2*e_1_2_1 &
22454  -2*e_0_2_0)
22455  e_1_2_2 = zetb*( c1*e_0_2_1 &
22456  +c3*e_1_2_1&
22457  +4*e_2_2_1 &
22458  -2*e_1_2_0)
22459  e_2_2_2 = zetb*( c1*e_1_2_1 &
22460  +c3*e_2_2_1&
22461  +6*e_3_2_1 &
22462  -2*e_2_2_0)
22463  e_3_2_2 = zetb*( c1*e_2_2_1 &
22464  +c3*e_3_2_1&
22465 
22466  )
22467  e_4_2_2 = zetb*( c1*e_3_2_1 &
22468 
22469 
22470  )
22471  e_0_1_2 = zeta*( &
22472  +c2*e_0_0_2&
22473  +2*e_1_0_2 &
22474  )
22475  e_0_0_3 = zetb*( &
22476  +c3*e_0_0_2&
22477  +2*e_1_0_2 &
22478  -4*e_0_0_1)
22479  e_1_1_2 = zeta*( c1*e_0_0_2 &
22480  +c2*e_1_0_2&
22481  +4*e_2_0_2 &
22482  )
22483  e_1_0_3 = zetb*( c1*e_0_0_2 &
22484  +c3*e_1_0_2&
22485  +4*e_2_0_2 &
22486  -4*e_1_0_1)
22487  e_2_1_2 = zeta*( c1*e_1_0_2 &
22488  +c2*e_2_0_2&
22489 
22490  )
22491  e_2_0_3 = zetb*( c1*e_1_0_2 &
22492  +c3*e_2_0_2&
22493 
22494  )
22495  e_3_1_2 = zeta*( c1*e_2_0_2 &
22496 
22497 
22498  )
22499  e_3_0_3 = zetb*( c1*e_2_0_2 &
22500 
22501 
22502  )
22503  e_0_2_2 = zeta*( &
22504  +c2*e_0_1_2&
22505  +2*e_1_1_2 &
22506  -2*e_0_0_2)
22507  e_0_1_3 = zetb*( &
22508  +c3*e_0_1_2&
22509  +2*e_1_1_2 &
22510  -4*e_0_1_1)
22511  e_1_2_2 = zeta*( c1*e_0_1_2 &
22512  +c2*e_1_1_2&
22513  +4*e_2_1_2 &
22514  -2*e_1_0_2)
22515  e_1_1_3 = zetb*( c1*e_0_1_2 &
22516  +c3*e_1_1_2&
22517  +4*e_2_1_2 &
22518  -4*e_1_1_1)
22519  e_2_2_2 = zeta*( c1*e_1_1_2 &
22520  +c2*e_2_1_2&
22521  +6*e_3_1_2 &
22522  -2*e_2_0_2)
22523  e_2_1_3 = zetb*( c1*e_1_1_2 &
22524  +c3*e_2_1_2&
22525  +6*e_3_1_2 &
22526  -4*e_2_1_1)
22527  e_3_2_2 = zeta*( c1*e_2_1_2 &
22528  +c2*e_3_1_2&
22529 
22530  )
22531  e_3_1_3 = zetb*( c1*e_2_1_2 &
22532  +c3*e_3_1_2&
22533 
22534  )
22535  e_4_2_2 = zeta*( c1*e_3_1_2 &
22536 
22537 
22538  )
22539  e_4_1_3 = zetb*( c1*e_3_1_2 &
22540 
22541 
22542  )
22543  e_0_2_3 = zetb*( &
22544  +c3*e_0_2_2&
22545  +2*e_1_2_2 &
22546  -4*e_0_2_1)
22547  e_1_2_3 = zetb*( c1*e_0_2_2 &
22548  +c3*e_1_2_2&
22549  +4*e_2_2_2 &
22550  -4*e_1_2_1)
22551  e_2_2_3 = zetb*( c1*e_1_2_2 &
22552  +c3*e_2_2_2&
22553  +6*e_3_2_2 &
22554  -4*e_2_2_1)
22555  e_3_2_3 = zetb*( c1*e_2_2_2 &
22556  +c3*e_3_2_2&
22557  +8*e_4_2_2 &
22558  -4*e_3_2_1)
22559  e_4_2_3 = zetb*( c1*e_3_2_2 &
22560  +c3*e_4_2_2&
22561 
22562  )
22563  e_5_2_3 = zetb*( c1*e_4_2_2 &
22564 
22565 
22566  )
22567  e_0_1_3 = zeta*( &
22568  +c2*e_0_0_3&
22569  +2*e_1_0_3 &
22570  )
22571  e_0_0_4 = zetb*( &
22572  +c3*e_0_0_3&
22573  +2*e_1_0_3 &
22574  -6*e_0_0_2)
22575  e_1_1_3 = zeta*( c1*e_0_0_3 &
22576  +c2*e_1_0_3&
22577  +4*e_2_0_3 &
22578  )
22579  e_1_0_4 = zetb*( c1*e_0_0_3 &
22580  +c3*e_1_0_3&
22581  +4*e_2_0_3 &
22582  -6*e_1_0_2)
22583  e_2_1_3 = zeta*( c1*e_1_0_3 &
22584  +c2*e_2_0_3&
22585  +6*e_3_0_3 &
22586  )
22587  e_2_0_4 = zetb*( c1*e_1_0_3 &
22588  +c3*e_2_0_3&
22589  +6*e_3_0_3 &
22590  -6*e_2_0_2)
22591  e_3_1_3 = zeta*( c1*e_2_0_3 &
22592  +c2*e_3_0_3&
22593 
22594  )
22595  e_3_0_4 = zetb*( c1*e_2_0_3 &
22596  +c3*e_3_0_3&
22597 
22598  )
22599  e_4_1_3 = zeta*( c1*e_3_0_3 &
22600 
22601 
22602  )
22603  e_4_0_4 = zetb*( c1*e_3_0_3 &
22604 
22605 
22606  )
22607  e_0_2_3 = zeta*( &
22608  +c2*e_0_1_3&
22609  +2*e_1_1_3 &
22610  -2*e_0_0_3)
22611  e_0_1_4 = zetb*( &
22612  +c3*e_0_1_3&
22613  +2*e_1_1_3 &
22614  -6*e_0_1_2)
22615  e_1_2_3 = zeta*( c1*e_0_1_3 &
22616  +c2*e_1_1_3&
22617  +4*e_2_1_3 &
22618  -2*e_1_0_3)
22619  e_1_1_4 = zetb*( c1*e_0_1_3 &
22620  +c3*e_1_1_3&
22621  +4*e_2_1_3 &
22622  -6*e_1_1_2)
22623  e_2_2_3 = zeta*( c1*e_1_1_3 &
22624  +c2*e_2_1_3&
22625  +6*e_3_1_3 &
22626  -2*e_2_0_3)
22627  e_2_1_4 = zetb*( c1*e_1_1_3 &
22628  +c3*e_2_1_3&
22629  +6*e_3_1_3 &
22630  -6*e_2_1_2)
22631  e_3_2_3 = zeta*( c1*e_2_1_3 &
22632  +c2*e_3_1_3&
22633  +8*e_4_1_3 &
22634  -2*e_3_0_3)
22635  e_3_1_4 = zetb*( c1*e_2_1_3 &
22636  +c3*e_3_1_3&
22637  +8*e_4_1_3 &
22638  -6*e_3_1_2)
22639  e_4_2_3 = zeta*( c1*e_3_1_3 &
22640  +c2*e_4_1_3&
22641 
22642  )
22643  e_4_1_4 = zetb*( c1*e_3_1_3 &
22644  +c3*e_4_1_3&
22645 
22646  )
22647  e_5_2_3 = zeta*( c1*e_4_1_3 &
22648 
22649 
22650  )
22651  e_5_1_4 = zetb*( c1*e_4_1_3 &
22652 
22653 
22654  )
22655  e_0_2_4 = zetb*( &
22656  +c3*e_0_2_3&
22657  +2*e_1_2_3 &
22658  -6*e_0_2_2)
22659  e_1_2_4 = zetb*( c1*e_0_2_3 &
22660  +c3*e_1_2_3&
22661  +4*e_2_2_3 &
22662  -6*e_1_2_2)
22663  e_2_2_4 = zetb*( c1*e_1_2_3 &
22664  +c3*e_2_2_3&
22665  +6*e_3_2_3 &
22666  -6*e_2_2_2)
22667  e_3_2_4 = zetb*( c1*e_2_2_3 &
22668  +c3*e_3_2_3&
22669  +8*e_4_2_3 &
22670  -6*e_3_2_2)
22671  e_4_2_4 = zetb*( c1*e_3_2_3 &
22672  +c3*e_4_2_3&
22673  +10*e_5_2_3 &
22674  -6*e_4_2_2)
22675  e_5_2_4 = zetb*( c1*e_4_2_3 &
22676  +c3*e_5_2_3&
22677 
22678  )
22679  e_6_2_4 = zetb*( c1*e_5_2_3 &
22680 
22681 
22682  )
22683  e_0_1_4 = zeta*( &
22684  +c2*e_0_0_4&
22685  +2*e_1_0_4 &
22686  )
22687  e_1_1_4 = zeta*( c1*e_0_0_4 &
22688  +c2*e_1_0_4&
22689  +4*e_2_0_4 &
22690  )
22691  e_2_1_4 = zeta*( c1*e_1_0_4 &
22692  +c2*e_2_0_4&
22693  +6*e_3_0_4 &
22694  )
22695  e_3_1_4 = zeta*( c1*e_2_0_4 &
22696  +c2*e_3_0_4&
22697  +8*e_4_0_4 &
22698  )
22699  e_4_1_4 = zeta*( c1*e_3_0_4 &
22700  +c2*e_4_0_4&
22701 
22702  )
22703  e_5_1_4 = zeta*( c1*e_4_0_4 &
22704 
22705 
22706  )
22707  e_0_2_4 = zeta*( &
22708  +c2*e_0_1_4&
22709  +2*e_1_1_4 &
22710  -2*e_0_0_4)
22711  e_1_2_4 = zeta*( c1*e_0_1_4 &
22712  +c2*e_1_1_4&
22713  +4*e_2_1_4 &
22714  -2*e_1_0_4)
22715  e_2_2_4 = zeta*( c1*e_1_1_4 &
22716  +c2*e_2_1_4&
22717  +6*e_3_1_4 &
22718  -2*e_2_0_4)
22719  e_3_2_4 = zeta*( c1*e_2_1_4 &
22720  +c2*e_3_1_4&
22721  +8*e_4_1_4 &
22722  -2*e_3_0_4)
22723  e_4_2_4 = zeta*( c1*e_3_1_4 &
22724  +c2*e_4_1_4&
22725  +10*e_5_1_4 &
22726  -2*e_4_0_4)
22727  e_5_2_4 = zeta*( c1*e_4_1_4 &
22728  +c2*e_5_1_4&
22729 
22730  )
22731  e_6_2_4 = zeta*( c1*e_5_1_4 &
22732 
22733 
22734  )
22735 
22736  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
22737  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
22738  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
22739  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
22740  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
22741  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
22742  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
22743  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
22744  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
22745  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
22746  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
22747  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
22748  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
22749  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
22750  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
22751  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
22752  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
22753  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
22754  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
22755  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
22756  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
22757  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
22758  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
22759  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
22760  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
22761  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
22762  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
22763  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
22764  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
22765  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
22766  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
22767  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
22768  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
22769  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
22770  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
22771  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
22772  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
22773  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
22774  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
22775  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
22776  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
22777  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
22778  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
22779  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
22780  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
22781  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
22782  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
22783  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
22784  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
22785  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
22786  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
22787  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
22788  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
22789  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
22790  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
22791  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
22792  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
22793  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
22794  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
22795  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
22796  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
22797  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
22798  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
22799  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
22800  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
22801  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
22802  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
22803  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
22804  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
22805  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
22806  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
22807  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
22808  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
22809  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
22810  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
22811  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
22812  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
22813  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
22814  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
22815  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
22816  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
22817  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
22818  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
22819  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
22820  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
22821  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
22822  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
22823  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
22824  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
22825  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
22826  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
22827  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
22828  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
22829  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
22830  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
22831  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
22832  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
22833  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
22834  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
22835  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
22836  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
22837  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
22838  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
22839  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
22840  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
22841  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
22842  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
22843  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
22844  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
22845  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
22846  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
22847  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
22848  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
22849  s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
22850  s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
22851  s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
22852  s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
22853  s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
22854  s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
22855  s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
22856  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
22857  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
22858  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
22859  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
22860  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
22861  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
22862  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
22863  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
22864  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
22865  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
22866  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
22867  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
22868  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
22869  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
22870  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
22871  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
22872  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
22873  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
22874  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
22875  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
22876  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
22877  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
22878  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
22879  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
22880  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
22881  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
22882  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
22883  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
22884  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
22885  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
22886  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
22887  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
22888  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
22889  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
22890  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
22891  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
22892  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
22893  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
22894  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
22895  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
22896  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
22897  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
22898  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
22899  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
22900  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
22901  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
22902  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
22903  s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
22904  s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
22905  s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
22906  s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
22907  s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
22908  s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
22909  s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
22910  s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
22911  s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
22912  s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
22913  s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
22914  s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
22915  s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
22916  r1 = r1 + dr
22917  END DO
22918 
22919  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
22920  END SUBROUTINE
22921  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_4_3_exp_0 ( &
22922  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
22923  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
22924  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
22925  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
22926  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
22927  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
22928  r_pow_t, r_tmp, rr1_delta, rr2_delta
22929 
22930  REAL(kind=dp) :: c1, c2, c3
22931  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
22932  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
22933  & s_r_t2_9
22934  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
22935  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
22936  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
22937  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
22938  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
22939  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
22940  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
22941  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
22942  & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
22943  & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4,&
22944  & e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4, e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4
22945 
22946 
22947  dr = lgth
22948  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
22949 
22950  s_r(:, :, :) = 0.0_dp
22951 
22952  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
22953 
22954  h_to_c_0_0 = sqrt(alpha/pi)
22955 
22956  h_to_c_0_1 = 0.0_dp
22957  h_to_c_1_1 = +2*alpha*h_to_c_0_0
22958  h_to_c_0_2 = -1*h_to_c_1_1
22959  h_to_c_1_2 = +2*alpha*h_to_c_0_1
22960  h_to_c_2_2 = +2*alpha*h_to_c_1_1
22961  h_to_c_0_3 = -1*h_to_c_1_2
22962  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
22963  h_to_c_2_3 = +2*alpha*h_to_c_1_2
22964  h_to_c_3_3 = +2*alpha*h_to_c_2_2
22965  h_to_c_0_4 = -1*h_to_c_1_3
22966  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
22967  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
22968  h_to_c_3_4 = +2*alpha*h_to_c_2_3
22969  h_to_c_4_4 = +2*alpha*h_to_c_3_3
22970  h_to_c_0_5 = -1*h_to_c_1_4
22971  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
22972  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
22973  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
22974  h_to_c_4_5 = +2*alpha*h_to_c_3_4
22975  h_to_c_5_5 = +2*alpha*h_to_c_4_4
22976  h_to_c_0_6 = -1*h_to_c_1_5
22977  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
22978  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
22979  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
22980  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
22981  h_to_c_5_6 = +2*alpha*h_to_c_4_5
22982  h_to_c_6_6 = +2*alpha*h_to_c_5_5
22983  h_to_c_0_7 = -1*h_to_c_1_6
22984  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
22985  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
22986  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
22987  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
22988  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
22989  h_to_c_6_7 = +2*alpha*h_to_c_5_6
22990  h_to_c_7_7 = +2*alpha*h_to_c_6_6
22991  h_to_c_0_8 = -1*h_to_c_1_7
22992  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
22993  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
22994  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
22995  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
22996  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
22997  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
22998  h_to_c_7_8 = +2*alpha*h_to_c_6_7
22999  h_to_c_8_8 = +2*alpha*h_to_c_7_7
23000  h_to_c_0_9 = -1*h_to_c_1_8
23001  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
23002  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
23003  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
23004  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
23005  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
23006  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
23007  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
23008  h_to_c_8_9 = +2*alpha*h_to_c_7_8
23009  h_to_c_9_9 = +2*alpha*h_to_c_8_8
23010 
23011 
23012  rr1_delta = (ra - rb)/dr
23013 
23014  rr1_l = ceiling(-r_c(1) + rr1_delta)
23015  rr1_r = floor(r_c(1) + rr1_delta)
23016 
23017  r1 = rr1_l*dr
23018 
23019  alpha_e = zeta*zetb/(zeta + zetb)
23020 
23021  DO rr1 = rr1_l, rr1_r
23022  s_r_t_0 = 0.0_dp
23023  s_r_t2_0 = 0.0_dp
23024  s_r_t_1 = 0.0_dp
23025  s_r_t2_1 = 0.0_dp
23026  s_r_t_2 = 0.0_dp
23027  s_r_t2_2 = 0.0_dp
23028  s_r_t_3 = 0.0_dp
23029  s_r_t2_3 = 0.0_dp
23030  s_r_t_4 = 0.0_dp
23031  s_r_t2_4 = 0.0_dp
23032  s_r_t_5 = 0.0_dp
23033  s_r_t2_5 = 0.0_dp
23034  s_r_t_6 = 0.0_dp
23035  s_r_t2_6 = 0.0_dp
23036  s_r_t_7 = 0.0_dp
23037  s_r_t2_7 = 0.0_dp
23038  s_r_t_8 = 0.0_dp
23039  s_r_t2_8 = 0.0_dp
23040  s_r_t_9 = 0.0_dp
23041  s_r_t2_9 = 0.0_dp
23042  r_tmp = r_offset + r1*zeta/(zeta + zetb)
23043  rr2_delta = -r_tmp/dr
23044 
23045  rr2_l = ceiling(-r_c(2) + rr2_delta)
23046  rr2_r = floor(r_c(2) + rr2_delta)
23047 
23048  r = r_tmp + (rr2_l)*dr
23049 
23050 
23051  DO rr2 = rr2_l, rr2_r
23052  r_pow_t = 1.0_dp
23053  exp2_rsq = exp(-alpha*r*r)
23054  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
23055  r_pow_t = r_pow_t*r
23056  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
23057  r_pow_t = r_pow_t*r
23058  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
23059  r_pow_t = r_pow_t*r
23060  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
23061  r_pow_t = r_pow_t*r
23062  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
23063  r_pow_t = r_pow_t*r
23064  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
23065  r_pow_t = r_pow_t*r
23066  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
23067  r_pow_t = r_pow_t*r
23068  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
23069  r_pow_t = r_pow_t*r
23070  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
23071  r_pow_t = r_pow_t*r
23072  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
23073 
23074  r = r + dr
23075  END DO
23076 
23077  ! C --> H
23078  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
23079  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
23080  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
23081  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
23082  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
23083  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
23084  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
23085  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
23086  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
23087  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
23088  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
23089  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
23090  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
23091  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
23092  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
23093  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
23094  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
23095  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
23096  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
23097  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
23098  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
23099  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
23100  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
23101  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
23102  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
23103  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
23104  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
23105  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
23106  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
23107  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
23108  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
23109  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
23110  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
23111  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
23112  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
23113  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
23114  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
23115  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
23116  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
23117  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
23118  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
23119  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
23120  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
23121  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
23122  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
23123  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
23124  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
23125  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
23126  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
23127  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
23128  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
23129  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
23130  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
23131  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
23132  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
23133 
23134  ! H --> HH
23135  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
23136 
23137  c1 = 1.0_dp/(zeta + zetb)
23138  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
23139  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
23140 
23141  e_0_1_0 = zeta*( &
23142  +c2*e_0_0_0&
23143 
23144  )
23145  e_0_0_1 = zetb*( &
23146  +c3*e_0_0_0&
23147 
23148  )
23149  e_1_1_0 = zeta*( c1*e_0_0_0 &
23150 
23151 
23152  )
23153  e_1_0_1 = zetb*( c1*e_0_0_0 &
23154 
23155 
23156  )
23157  e_0_2_0 = zeta*( &
23158  +c2*e_0_1_0&
23159  +2*e_1_1_0 &
23160  -2*e_0_0_0)
23161  e_0_1_1 = zetb*( &
23162  +c3*e_0_1_0&
23163  +2*e_1_1_0 &
23164  )
23165  e_1_2_0 = zeta*( c1*e_0_1_0 &
23166  +c2*e_1_1_0&
23167 
23168  )
23169  e_1_1_1 = zetb*( c1*e_0_1_0 &
23170  +c3*e_1_1_0&
23171 
23172  )
23173  e_2_2_0 = zeta*( c1*e_1_1_0 &
23174 
23175 
23176  )
23177  e_2_1_1 = zetb*( c1*e_1_1_0 &
23178 
23179 
23180  )
23181  e_0_2_1 = zetb*( &
23182  +c3*e_0_2_0&
23183  +2*e_1_2_0 &
23184  )
23185  e_1_2_1 = zetb*( c1*e_0_2_0 &
23186  +c3*e_1_2_0&
23187  +4*e_2_2_0 &
23188  )
23189  e_2_2_1 = zetb*( c1*e_1_2_0 &
23190  +c3*e_2_2_0&
23191 
23192  )
23193  e_3_2_1 = zetb*( c1*e_2_2_0 &
23194 
23195 
23196  )
23197  e_0_1_1 = zeta*( &
23198  +c2*e_0_0_1&
23199  +2*e_1_0_1 &
23200  )
23201  e_0_0_2 = zetb*( &
23202  +c3*e_0_0_1&
23203  +2*e_1_0_1 &
23204  -2*e_0_0_0)
23205  e_1_1_1 = zeta*( c1*e_0_0_1 &
23206  +c2*e_1_0_1&
23207 
23208  )
23209  e_1_0_2 = zetb*( c1*e_0_0_1 &
23210  +c3*e_1_0_1&
23211 
23212  )
23213  e_2_1_1 = zeta*( c1*e_1_0_1 &
23214 
23215 
23216  )
23217  e_2_0_2 = zetb*( c1*e_1_0_1 &
23218 
23219 
23220  )
23221  e_0_2_1 = zeta*( &
23222  +c2*e_0_1_1&
23223  +2*e_1_1_1 &
23224  -2*e_0_0_1)
23225  e_0_1_2 = zetb*( &
23226  +c3*e_0_1_1&
23227  +2*e_1_1_1 &
23228  -2*e_0_1_0)
23229  e_1_2_1 = zeta*( c1*e_0_1_1 &
23230  +c2*e_1_1_1&
23231  +4*e_2_1_1 &
23232  -2*e_1_0_1)
23233  e_1_1_2 = zetb*( c1*e_0_1_1 &
23234  +c3*e_1_1_1&
23235  +4*e_2_1_1 &
23236  -2*e_1_1_0)
23237  e_2_2_1 = zeta*( c1*e_1_1_1 &
23238  +c2*e_2_1_1&
23239 
23240  )
23241  e_2_1_2 = zetb*( c1*e_1_1_1 &
23242  +c3*e_2_1_1&
23243 
23244  )
23245  e_3_2_1 = zeta*( c1*e_2_1_1 &
23246 
23247 
23248  )
23249  e_3_1_2 = zetb*( c1*e_2_1_1 &
23250 
23251 
23252  )
23253  e_0_2_2 = zetb*( &
23254  +c3*e_0_2_1&
23255  +2*e_1_2_1 &
23256  -2*e_0_2_0)
23257  e_1_2_2 = zetb*( c1*e_0_2_1 &
23258  +c3*e_1_2_1&
23259  +4*e_2_2_1 &
23260  -2*e_1_2_0)
23261  e_2_2_2 = zetb*( c1*e_1_2_1 &
23262  +c3*e_2_2_1&
23263  +6*e_3_2_1 &
23264  -2*e_2_2_0)
23265  e_3_2_2 = zetb*( c1*e_2_2_1 &
23266  +c3*e_3_2_1&
23267 
23268  )
23269  e_4_2_2 = zetb*( c1*e_3_2_1 &
23270 
23271 
23272  )
23273  e_0_1_2 = zeta*( &
23274  +c2*e_0_0_2&
23275  +2*e_1_0_2 &
23276  )
23277  e_0_0_3 = zetb*( &
23278  +c3*e_0_0_2&
23279  +2*e_1_0_2 &
23280  -4*e_0_0_1)
23281  e_1_1_2 = zeta*( c1*e_0_0_2 &
23282  +c2*e_1_0_2&
23283  +4*e_2_0_2 &
23284  )
23285  e_1_0_3 = zetb*( c1*e_0_0_2 &
23286  +c3*e_1_0_2&
23287  +4*e_2_0_2 &
23288  -4*e_1_0_1)
23289  e_2_1_2 = zeta*( c1*e_1_0_2 &
23290  +c2*e_2_0_2&
23291 
23292  )
23293  e_2_0_3 = zetb*( c1*e_1_0_2 &
23294  +c3*e_2_0_2&
23295 
23296  )
23297  e_3_1_2 = zeta*( c1*e_2_0_2 &
23298 
23299 
23300  )
23301  e_3_0_3 = zetb*( c1*e_2_0_2 &
23302 
23303 
23304  )
23305  e_0_2_2 = zeta*( &
23306  +c2*e_0_1_2&
23307  +2*e_1_1_2 &
23308  -2*e_0_0_2)
23309  e_0_1_3 = zetb*( &
23310  +c3*e_0_1_2&
23311  +2*e_1_1_2 &
23312  -4*e_0_1_1)
23313  e_1_2_2 = zeta*( c1*e_0_1_2 &
23314  +c2*e_1_1_2&
23315  +4*e_2_1_2 &
23316  -2*e_1_0_2)
23317  e_1_1_3 = zetb*( c1*e_0_1_2 &
23318  +c3*e_1_1_2&
23319  +4*e_2_1_2 &
23320  -4*e_1_1_1)
23321  e_2_2_2 = zeta*( c1*e_1_1_2 &
23322  +c2*e_2_1_2&
23323  +6*e_3_1_2 &
23324  -2*e_2_0_2)
23325  e_2_1_3 = zetb*( c1*e_1_1_2 &
23326  +c3*e_2_1_2&
23327  +6*e_3_1_2 &
23328  -4*e_2_1_1)
23329  e_3_2_2 = zeta*( c1*e_2_1_2 &
23330  +c2*e_3_1_2&
23331 
23332  )
23333  e_3_1_3 = zetb*( c1*e_2_1_2 &
23334  +c3*e_3_1_2&
23335 
23336  )
23337  e_4_2_2 = zeta*( c1*e_3_1_2 &
23338 
23339 
23340  )
23341  e_4_1_3 = zetb*( c1*e_3_1_2 &
23342 
23343 
23344  )
23345  e_0_2_3 = zetb*( &
23346  +c3*e_0_2_2&
23347  +2*e_1_2_2 &
23348  -4*e_0_2_1)
23349  e_1_2_3 = zetb*( c1*e_0_2_2 &
23350  +c3*e_1_2_2&
23351  +4*e_2_2_2 &
23352  -4*e_1_2_1)
23353  e_2_2_3 = zetb*( c1*e_1_2_2 &
23354  +c3*e_2_2_2&
23355  +6*e_3_2_2 &
23356  -4*e_2_2_1)
23357  e_3_2_3 = zetb*( c1*e_2_2_2 &
23358  +c3*e_3_2_2&
23359  +8*e_4_2_2 &
23360  -4*e_3_2_1)
23361  e_4_2_3 = zetb*( c1*e_3_2_2 &
23362  +c3*e_4_2_2&
23363 
23364  )
23365  e_5_2_3 = zetb*( c1*e_4_2_2 &
23366 
23367 
23368  )
23369  e_0_1_3 = zeta*( &
23370  +c2*e_0_0_3&
23371  +2*e_1_0_3 &
23372  )
23373  e_0_0_4 = zetb*( &
23374  +c3*e_0_0_3&
23375  +2*e_1_0_3 &
23376  -6*e_0_0_2)
23377  e_1_1_3 = zeta*( c1*e_0_0_3 &
23378  +c2*e_1_0_3&
23379  +4*e_2_0_3 &
23380  )
23381  e_1_0_4 = zetb*( c1*e_0_0_3 &
23382  +c3*e_1_0_3&
23383  +4*e_2_0_3 &
23384  -6*e_1_0_2)
23385  e_2_1_3 = zeta*( c1*e_1_0_3 &
23386  +c2*e_2_0_3&
23387  +6*e_3_0_3 &
23388  )
23389  e_2_0_4 = zetb*( c1*e_1_0_3 &
23390  +c3*e_2_0_3&
23391  +6*e_3_0_3 &
23392  -6*e_2_0_2)
23393  e_3_1_3 = zeta*( c1*e_2_0_3 &
23394  +c2*e_3_0_3&
23395 
23396  )
23397  e_3_0_4 = zetb*( c1*e_2_0_3 &
23398  +c3*e_3_0_3&
23399 
23400  )
23401  e_4_1_3 = zeta*( c1*e_3_0_3 &
23402 
23403 
23404  )
23405  e_4_0_4 = zetb*( c1*e_3_0_3 &
23406 
23407 
23408  )
23409  e_0_2_3 = zeta*( &
23410  +c2*e_0_1_3&
23411  +2*e_1_1_3 &
23412  -2*e_0_0_3)
23413  e_0_1_4 = zetb*( &
23414  +c3*e_0_1_3&
23415  +2*e_1_1_3 &
23416  -6*e_0_1_2)
23417  e_1_2_3 = zeta*( c1*e_0_1_3 &
23418  +c2*e_1_1_3&
23419  +4*e_2_1_3 &
23420  -2*e_1_0_3)
23421  e_1_1_4 = zetb*( c1*e_0_1_3 &
23422  +c3*e_1_1_3&
23423  +4*e_2_1_3 &
23424  -6*e_1_1_2)
23425  e_2_2_3 = zeta*( c1*e_1_1_3 &
23426  +c2*e_2_1_3&
23427  +6*e_3_1_3 &
23428  -2*e_2_0_3)
23429  e_2_1_4 = zetb*( c1*e_1_1_3 &
23430  +c3*e_2_1_3&
23431  +6*e_3_1_3 &
23432  -6*e_2_1_2)
23433  e_3_2_3 = zeta*( c1*e_2_1_3 &
23434  +c2*e_3_1_3&
23435  +8*e_4_1_3 &
23436  -2*e_3_0_3)
23437  e_3_1_4 = zetb*( c1*e_2_1_3 &
23438  +c3*e_3_1_3&
23439  +8*e_4_1_3 &
23440  -6*e_3_1_2)
23441  e_4_2_3 = zeta*( c1*e_3_1_3 &
23442  +c2*e_4_1_3&
23443 
23444  )
23445  e_4_1_4 = zetb*( c1*e_3_1_3 &
23446  +c3*e_4_1_3&
23447 
23448  )
23449  e_5_2_3 = zeta*( c1*e_4_1_3 &
23450 
23451 
23452  )
23453  e_5_1_4 = zetb*( c1*e_4_1_3 &
23454 
23455 
23456  )
23457  e_0_2_4 = zetb*( &
23458  +c3*e_0_2_3&
23459  +2*e_1_2_3 &
23460  -6*e_0_2_2)
23461  e_1_2_4 = zetb*( c1*e_0_2_3 &
23462  +c3*e_1_2_3&
23463  +4*e_2_2_3 &
23464  -6*e_1_2_2)
23465  e_2_2_4 = zetb*( c1*e_1_2_3 &
23466  +c3*e_2_2_3&
23467  +6*e_3_2_3 &
23468  -6*e_2_2_2)
23469  e_3_2_4 = zetb*( c1*e_2_2_3 &
23470  +c3*e_3_2_3&
23471  +8*e_4_2_3 &
23472  -6*e_3_2_2)
23473  e_4_2_4 = zetb*( c1*e_3_2_3 &
23474  +c3*e_4_2_3&
23475  +10*e_5_2_3 &
23476  -6*e_4_2_2)
23477  e_5_2_4 = zetb*( c1*e_4_2_3 &
23478  +c3*e_5_2_3&
23479 
23480  )
23481  e_6_2_4 = zetb*( c1*e_5_2_3 &
23482 
23483 
23484  )
23485  e_0_1_4 = zeta*( &
23486  +c2*e_0_0_4&
23487  +2*e_1_0_4 &
23488  )
23489  e_1_1_4 = zeta*( c1*e_0_0_4 &
23490  +c2*e_1_0_4&
23491  +4*e_2_0_4 &
23492  )
23493  e_2_1_4 = zeta*( c1*e_1_0_4 &
23494  +c2*e_2_0_4&
23495  +6*e_3_0_4 &
23496  )
23497  e_3_1_4 = zeta*( c1*e_2_0_4 &
23498  +c2*e_3_0_4&
23499  +8*e_4_0_4 &
23500  )
23501  e_4_1_4 = zeta*( c1*e_3_0_4 &
23502  +c2*e_4_0_4&
23503 
23504  )
23505  e_5_1_4 = zeta*( c1*e_4_0_4 &
23506 
23507 
23508  )
23509  e_0_2_4 = zeta*( &
23510  +c2*e_0_1_4&
23511  +2*e_1_1_4 &
23512  -2*e_0_0_4)
23513  e_1_2_4 = zeta*( c1*e_0_1_4 &
23514  +c2*e_1_1_4&
23515  +4*e_2_1_4 &
23516  -2*e_1_0_4)
23517  e_2_2_4 = zeta*( c1*e_1_1_4 &
23518  +c2*e_2_1_4&
23519  +6*e_3_1_4 &
23520  -2*e_2_0_4)
23521  e_3_2_4 = zeta*( c1*e_2_1_4 &
23522  +c2*e_3_1_4&
23523  +8*e_4_1_4 &
23524  -2*e_3_0_4)
23525  e_4_2_4 = zeta*( c1*e_3_1_4 &
23526  +c2*e_4_1_4&
23527  +10*e_5_1_4 &
23528  -2*e_4_0_4)
23529  e_5_2_4 = zeta*( c1*e_4_1_4 &
23530  +c2*e_5_1_4&
23531 
23532  )
23533  e_6_2_4 = zeta*( c1*e_5_1_4 &
23534 
23535 
23536  )
23537 
23538  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
23539  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
23540  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
23541  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
23542  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
23543  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
23544  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
23545  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
23546  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
23547  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
23548  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
23549  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
23550  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
23551  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
23552  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
23553  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
23554  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
23555  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
23556  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
23557  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
23558  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
23559  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
23560  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
23561  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
23562  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
23563  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
23564  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
23565  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
23566  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
23567  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
23568  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
23569  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
23570  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
23571  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
23572  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
23573  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
23574  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
23575  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
23576  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
23577  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
23578  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
23579  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
23580  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
23581  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
23582  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
23583  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
23584  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
23585  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
23586  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
23587  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
23588  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
23589  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
23590  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
23591  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
23592  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
23593  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
23594  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
23595  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
23596  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
23597  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
23598  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
23599  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
23600  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
23601  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
23602  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
23603  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
23604  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
23605  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
23606  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
23607  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
23608  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
23609  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
23610  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
23611  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
23612  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
23613  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
23614  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
23615  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
23616  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
23617  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
23618  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
23619  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
23620  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
23621  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
23622  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
23623  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
23624  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
23625  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
23626  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
23627  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
23628  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
23629  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
23630  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
23631  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
23632  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
23633  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
23634  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
23635  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
23636  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
23637  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
23638  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
23639  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
23640  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
23641  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
23642  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
23643  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
23644  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
23645  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
23646  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
23647  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
23648  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
23649  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
23650  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
23651  s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
23652  s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
23653  s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
23654  s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
23655  s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
23656  s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
23657  s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
23658  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
23659  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
23660  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
23661  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
23662  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
23663  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
23664  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
23665  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
23666  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
23667  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
23668  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
23669  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
23670  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
23671  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
23672  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
23673  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
23674  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
23675  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
23676  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
23677  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
23678  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
23679  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
23680  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
23681  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
23682  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
23683  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
23684  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
23685  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
23686  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
23687  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
23688  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
23689  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
23690  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
23691  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
23692  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
23693  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
23694  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
23695  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
23696  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
23697  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
23698  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
23699  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
23700  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
23701  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
23702  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
23703  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
23704  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
23705  s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
23706  s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
23707  s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
23708  s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
23709  s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
23710  s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
23711  s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
23712  s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
23713  s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
23714  s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
23715  s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
23716  s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
23717  s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
23718  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
23719  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
23720  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
23721  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
23722  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
23723  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
23724  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
23725  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
23726  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
23727  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
23728  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
23729  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
23730  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
23731  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
23732  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
23733  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
23734  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
23735  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
23736  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
23737  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
23738  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
23739  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
23740  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
23741  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
23742  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
23743  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
23744  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
23745  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
23746  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
23747  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
23748  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
23749  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
23750  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
23751  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
23752  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
23753  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
23754  s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
23755  s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
23756  s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
23757  s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
23758  s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
23759  s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
23760  s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
23761  s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
23762  s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
23763  s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
23764  s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
23765  s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
23766  s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
23767  s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
23768  s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
23769  s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
23770  s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
23771  s_r(2, 4, 3) = s_r(2, 4, 3) + e_0_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
23772  s_r(2, 4, 3) = s_r(2, 4, 3) + e_1_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
23773  s_r(2, 4, 3) = s_r(2, 4, 3) + e_2_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
23774  s_r(2, 4, 3) = s_r(2, 4, 3) + e_3_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
23775  s_r(2, 4, 3) = s_r(2, 4, 3) + e_4_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
23776  s_r(2, 4, 3) = s_r(2, 4, 3) + e_5_2_4*(-1)*s_r_t2_8 ! cost: 5 flops
23777  s_r(2, 4, 3) = s_r(2, 4, 3) + e_6_2_4*(-1)*s_r_t2_9 ! cost: 5 flops
23778  r1 = r1 + dr
23779  END DO
23780 
23781  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
23782  END SUBROUTINE
23783  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_4_4_exp_0 ( &
23784  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
23785  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
23786  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
23787  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
23788  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
23789  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
23790  r_pow_t, r_tmp, rr1_delta, rr2_delta
23791 
23792  REAL(kind=dp) :: c1, c2, c3
23793  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
23794  & s_r_t_10
23795  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
23796  & s_r_t2_9, s_r_t2_10
23797  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
23798  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
23799  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
23800  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
23801  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
23802  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
23803  & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10
23804  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
23805  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
23806  & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
23807  & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4,&
23808  & e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4, e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4
23809 
23810 
23811  dr = lgth
23812  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
23813 
23814  s_r(:, :, :) = 0.0_dp
23815 
23816  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
23817 
23818  h_to_c_0_0 = sqrt(alpha/pi)
23819 
23820  h_to_c_0_1 = 0.0_dp
23821  h_to_c_1_1 = +2*alpha*h_to_c_0_0
23822  h_to_c_0_2 = -1*h_to_c_1_1
23823  h_to_c_1_2 = +2*alpha*h_to_c_0_1
23824  h_to_c_2_2 = +2*alpha*h_to_c_1_1
23825  h_to_c_0_3 = -1*h_to_c_1_2
23826  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
23827  h_to_c_2_3 = +2*alpha*h_to_c_1_2
23828  h_to_c_3_3 = +2*alpha*h_to_c_2_2
23829  h_to_c_0_4 = -1*h_to_c_1_3
23830  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
23831  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
23832  h_to_c_3_4 = +2*alpha*h_to_c_2_3
23833  h_to_c_4_4 = +2*alpha*h_to_c_3_3
23834  h_to_c_0_5 = -1*h_to_c_1_4
23835  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
23836  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
23837  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
23838  h_to_c_4_5 = +2*alpha*h_to_c_3_4
23839  h_to_c_5_5 = +2*alpha*h_to_c_4_4
23840  h_to_c_0_6 = -1*h_to_c_1_5
23841  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
23842  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
23843  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
23844  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
23845  h_to_c_5_6 = +2*alpha*h_to_c_4_5
23846  h_to_c_6_6 = +2*alpha*h_to_c_5_5
23847  h_to_c_0_7 = -1*h_to_c_1_6
23848  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
23849  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
23850  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
23851  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
23852  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
23853  h_to_c_6_7 = +2*alpha*h_to_c_5_6
23854  h_to_c_7_7 = +2*alpha*h_to_c_6_6
23855  h_to_c_0_8 = -1*h_to_c_1_7
23856  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
23857  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
23858  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
23859  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
23860  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
23861  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
23862  h_to_c_7_8 = +2*alpha*h_to_c_6_7
23863  h_to_c_8_8 = +2*alpha*h_to_c_7_7
23864  h_to_c_0_9 = -1*h_to_c_1_8
23865  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
23866  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
23867  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
23868  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
23869  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
23870  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
23871  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
23872  h_to_c_8_9 = +2*alpha*h_to_c_7_8
23873  h_to_c_9_9 = +2*alpha*h_to_c_8_8
23874  h_to_c_0_10 = -1*h_to_c_1_9
23875  h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
23876  h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
23877  h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
23878  h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
23879  h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
23880  h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
23881  h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
23882  h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
23883  h_to_c_9_10 = +2*alpha*h_to_c_8_9
23884  h_to_c_10_10 = +2*alpha*h_to_c_9_9
23885 
23886 
23887  rr1_delta = (ra - rb)/dr
23888 
23889  rr1_l = ceiling(-r_c(1) + rr1_delta)
23890  rr1_r = floor(r_c(1) + rr1_delta)
23891 
23892  r1 = rr1_l*dr
23893 
23894  alpha_e = zeta*zetb/(zeta + zetb)
23895 
23896  DO rr1 = rr1_l, rr1_r
23897  s_r_t_0 = 0.0_dp
23898  s_r_t2_0 = 0.0_dp
23899  s_r_t_1 = 0.0_dp
23900  s_r_t2_1 = 0.0_dp
23901  s_r_t_2 = 0.0_dp
23902  s_r_t2_2 = 0.0_dp
23903  s_r_t_3 = 0.0_dp
23904  s_r_t2_3 = 0.0_dp
23905  s_r_t_4 = 0.0_dp
23906  s_r_t2_4 = 0.0_dp
23907  s_r_t_5 = 0.0_dp
23908  s_r_t2_5 = 0.0_dp
23909  s_r_t_6 = 0.0_dp
23910  s_r_t2_6 = 0.0_dp
23911  s_r_t_7 = 0.0_dp
23912  s_r_t2_7 = 0.0_dp
23913  s_r_t_8 = 0.0_dp
23914  s_r_t2_8 = 0.0_dp
23915  s_r_t_9 = 0.0_dp
23916  s_r_t2_9 = 0.0_dp
23917  s_r_t_10 = 0.0_dp
23918  s_r_t2_10 = 0.0_dp
23919  r_tmp = r_offset + r1*zeta/(zeta + zetb)
23920  rr2_delta = -r_tmp/dr
23921 
23922  rr2_l = ceiling(-r_c(2) + rr2_delta)
23923  rr2_r = floor(r_c(2) + rr2_delta)
23924 
23925  r = r_tmp + (rr2_l)*dr
23926 
23927 
23928  DO rr2 = rr2_l, rr2_r
23929  r_pow_t = 1.0_dp
23930  exp2_rsq = exp(-alpha*r*r)
23931  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
23932  r_pow_t = r_pow_t*r
23933  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
23934  r_pow_t = r_pow_t*r
23935  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
23936  r_pow_t = r_pow_t*r
23937  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
23938  r_pow_t = r_pow_t*r
23939  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
23940  r_pow_t = r_pow_t*r
23941  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
23942  r_pow_t = r_pow_t*r
23943  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
23944  r_pow_t = r_pow_t*r
23945  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
23946  r_pow_t = r_pow_t*r
23947  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
23948  r_pow_t = r_pow_t*r
23949  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
23950  r_pow_t = r_pow_t*r
23951  s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
23952 
23953  r = r + dr
23954  END DO
23955 
23956  ! C --> H
23957  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
23958  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
23959  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
23960  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
23961  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
23962  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
23963  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
23964  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
23965  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
23966  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
23967  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
23968  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
23969  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
23970  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
23971  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
23972  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
23973  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
23974  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
23975  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
23976  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
23977  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
23978  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
23979  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
23980  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
23981  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
23982  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
23983  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
23984  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
23985  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
23986  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
23987  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
23988  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
23989  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
23990  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
23991  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
23992  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
23993  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
23994  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
23995  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
23996  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
23997  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
23998  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
23999  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
24000  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
24001  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
24002  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
24003  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
24004  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
24005  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
24006  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
24007  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
24008  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
24009  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
24010  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
24011  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
24012  s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
24013  s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
24014  s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
24015  s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
24016  s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
24017  s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
24018  s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
24019  s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
24020  s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
24021  s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
24022  s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
24023 
24024  ! H --> HH
24025  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
24026 
24027  c1 = 1.0_dp/(zeta + zetb)
24028  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
24029  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
24030 
24031  e_0_1_0 = zeta*( &
24032  +c2*e_0_0_0&
24033 
24034  )
24035  e_0_0_1 = zetb*( &
24036  +c3*e_0_0_0&
24037 
24038  )
24039  e_1_1_0 = zeta*( c1*e_0_0_0 &
24040 
24041 
24042  )
24043  e_1_0_1 = zetb*( c1*e_0_0_0 &
24044 
24045 
24046  )
24047  e_0_2_0 = zeta*( &
24048  +c2*e_0_1_0&
24049  +2*e_1_1_0 &
24050  -2*e_0_0_0)
24051  e_0_1_1 = zetb*( &
24052  +c3*e_0_1_0&
24053  +2*e_1_1_0 &
24054  )
24055  e_1_2_0 = zeta*( c1*e_0_1_0 &
24056  +c2*e_1_1_0&
24057 
24058  )
24059  e_1_1_1 = zetb*( c1*e_0_1_0 &
24060  +c3*e_1_1_0&
24061 
24062  )
24063  e_2_2_0 = zeta*( c1*e_1_1_0 &
24064 
24065 
24066  )
24067  e_2_1_1 = zetb*( c1*e_1_1_0 &
24068 
24069 
24070  )
24071  e_0_2_1 = zetb*( &
24072  +c3*e_0_2_0&
24073  +2*e_1_2_0 &
24074  )
24075  e_1_2_1 = zetb*( c1*e_0_2_0 &
24076  +c3*e_1_2_0&
24077  +4*e_2_2_0 &
24078  )
24079  e_2_2_1 = zetb*( c1*e_1_2_0 &
24080  +c3*e_2_2_0&
24081 
24082  )
24083  e_3_2_1 = zetb*( c1*e_2_2_0 &
24084 
24085 
24086  )
24087  e_0_1_1 = zeta*( &
24088  +c2*e_0_0_1&
24089  +2*e_1_0_1 &
24090  )
24091  e_0_0_2 = zetb*( &
24092  +c3*e_0_0_1&
24093  +2*e_1_0_1 &
24094  -2*e_0_0_0)
24095  e_1_1_1 = zeta*( c1*e_0_0_1 &
24096  +c2*e_1_0_1&
24097 
24098  )
24099  e_1_0_2 = zetb*( c1*e_0_0_1 &
24100  +c3*e_1_0_1&
24101 
24102  )
24103  e_2_1_1 = zeta*( c1*e_1_0_1 &
24104 
24105 
24106  )
24107  e_2_0_2 = zetb*( c1*e_1_0_1 &
24108 
24109 
24110  )
24111  e_0_2_1 = zeta*( &
24112  +c2*e_0_1_1&
24113  +2*e_1_1_1 &
24114  -2*e_0_0_1)
24115  e_0_1_2 = zetb*( &
24116  +c3*e_0_1_1&
24117  +2*e_1_1_1 &
24118  -2*e_0_1_0)
24119  e_1_2_1 = zeta*( c1*e_0_1_1 &
24120  +c2*e_1_1_1&
24121  +4*e_2_1_1 &
24122  -2*e_1_0_1)
24123  e_1_1_2 = zetb*( c1*e_0_1_1 &
24124  +c3*e_1_1_1&
24125  +4*e_2_1_1 &
24126  -2*e_1_1_0)
24127  e_2_2_1 = zeta*( c1*e_1_1_1 &
24128  +c2*e_2_1_1&
24129 
24130  )
24131  e_2_1_2 = zetb*( c1*e_1_1_1 &
24132  +c3*e_2_1_1&
24133 
24134  )
24135  e_3_2_1 = zeta*( c1*e_2_1_1 &
24136 
24137 
24138  )
24139  e_3_1_2 = zetb*( c1*e_2_1_1 &
24140 
24141 
24142  )
24143  e_0_2_2 = zetb*( &
24144  +c3*e_0_2_1&
24145  +2*e_1_2_1 &
24146  -2*e_0_2_0)
24147  e_1_2_2 = zetb*( c1*e_0_2_1 &
24148  +c3*e_1_2_1&
24149  +4*e_2_2_1 &
24150  -2*e_1_2_0)
24151  e_2_2_2 = zetb*( c1*e_1_2_1 &
24152  +c3*e_2_2_1&
24153  +6*e_3_2_1 &
24154  -2*e_2_2_0)
24155  e_3_2_2 = zetb*( c1*e_2_2_1 &
24156  +c3*e_3_2_1&
24157 
24158  )
24159  e_4_2_2 = zetb*( c1*e_3_2_1 &
24160 
24161 
24162  )
24163  e_0_1_2 = zeta*( &
24164  +c2*e_0_0_2&
24165  +2*e_1_0_2 &
24166  )
24167  e_0_0_3 = zetb*( &
24168  +c3*e_0_0_2&
24169  +2*e_1_0_2 &
24170  -4*e_0_0_1)
24171  e_1_1_2 = zeta*( c1*e_0_0_2 &
24172  +c2*e_1_0_2&
24173  +4*e_2_0_2 &
24174  )
24175  e_1_0_3 = zetb*( c1*e_0_0_2 &
24176  +c3*e_1_0_2&
24177  +4*e_2_0_2 &
24178  -4*e_1_0_1)
24179  e_2_1_2 = zeta*( c1*e_1_0_2 &
24180  +c2*e_2_0_2&
24181 
24182  )
24183  e_2_0_3 = zetb*( c1*e_1_0_2 &
24184  +c3*e_2_0_2&
24185 
24186  )
24187  e_3_1_2 = zeta*( c1*e_2_0_2 &
24188 
24189 
24190  )
24191  e_3_0_3 = zetb*( c1*e_2_0_2 &
24192 
24193 
24194  )
24195  e_0_2_2 = zeta*( &
24196  +c2*e_0_1_2&
24197  +2*e_1_1_2 &
24198  -2*e_0_0_2)
24199  e_0_1_3 = zetb*( &
24200  +c3*e_0_1_2&
24201  +2*e_1_1_2 &
24202  -4*e_0_1_1)
24203  e_1_2_2 = zeta*( c1*e_0_1_2 &
24204  +c2*e_1_1_2&
24205  +4*e_2_1_2 &
24206  -2*e_1_0_2)
24207  e_1_1_3 = zetb*( c1*e_0_1_2 &
24208  +c3*e_1_1_2&
24209  +4*e_2_1_2 &
24210  -4*e_1_1_1)
24211  e_2_2_2 = zeta*( c1*e_1_1_2 &
24212  +c2*e_2_1_2&
24213  +6*e_3_1_2 &
24214  -2*e_2_0_2)
24215  e_2_1_3 = zetb*( c1*e_1_1_2 &
24216  +c3*e_2_1_2&
24217  +6*e_3_1_2 &
24218  -4*e_2_1_1)
24219  e_3_2_2 = zeta*( c1*e_2_1_2 &
24220  +c2*e_3_1_2&
24221 
24222  )
24223  e_3_1_3 = zetb*( c1*e_2_1_2 &
24224  +c3*e_3_1_2&
24225 
24226  )
24227  e_4_2_2 = zeta*( c1*e_3_1_2 &
24228 
24229 
24230  )
24231  e_4_1_3 = zetb*( c1*e_3_1_2 &
24232 
24233 
24234  )
24235  e_0_2_3 = zetb*( &
24236  +c3*e_0_2_2&
24237  +2*e_1_2_2 &
24238  -4*e_0_2_1)
24239  e_1_2_3 = zetb*( c1*e_0_2_2 &
24240  +c3*e_1_2_2&
24241  +4*e_2_2_2 &
24242  -4*e_1_2_1)
24243  e_2_2_3 = zetb*( c1*e_1_2_2 &
24244  +c3*e_2_2_2&
24245  +6*e_3_2_2 &
24246  -4*e_2_2_1)
24247  e_3_2_3 = zetb*( c1*e_2_2_2 &
24248  +c3*e_3_2_2&
24249  +8*e_4_2_2 &
24250  -4*e_3_2_1)
24251  e_4_2_3 = zetb*( c1*e_3_2_2 &
24252  +c3*e_4_2_2&
24253 
24254  )
24255  e_5_2_3 = zetb*( c1*e_4_2_2 &
24256 
24257 
24258  )
24259  e_0_1_3 = zeta*( &
24260  +c2*e_0_0_3&
24261  +2*e_1_0_3 &
24262  )
24263  e_0_0_4 = zetb*( &
24264  +c3*e_0_0_3&
24265  +2*e_1_0_3 &
24266  -6*e_0_0_2)
24267  e_1_1_3 = zeta*( c1*e_0_0_3 &
24268  +c2*e_1_0_3&
24269  +4*e_2_0_3 &
24270  )
24271  e_1_0_4 = zetb*( c1*e_0_0_3 &
24272  +c3*e_1_0_3&
24273  +4*e_2_0_3 &
24274  -6*e_1_0_2)
24275  e_2_1_3 = zeta*( c1*e_1_0_3 &
24276  +c2*e_2_0_3&
24277  +6*e_3_0_3 &
24278  )
24279  e_2_0_4 = zetb*( c1*e_1_0_3 &
24280  +c3*e_2_0_3&
24281  +6*e_3_0_3 &
24282  -6*e_2_0_2)
24283  e_3_1_3 = zeta*( c1*e_2_0_3 &
24284  +c2*e_3_0_3&
24285 
24286  )
24287  e_3_0_4 = zetb*( c1*e_2_0_3 &
24288  +c3*e_3_0_3&
24289 
24290  )
24291  e_4_1_3 = zeta*( c1*e_3_0_3 &
24292 
24293 
24294  )
24295  e_4_0_4 = zetb*( c1*e_3_0_3 &
24296 
24297 
24298  )
24299  e_0_2_3 = zeta*( &
24300  +c2*e_0_1_3&
24301  +2*e_1_1_3 &
24302  -2*e_0_0_3)
24303  e_0_1_4 = zetb*( &
24304  +c3*e_0_1_3&
24305  +2*e_1_1_3 &
24306  -6*e_0_1_2)
24307  e_1_2_3 = zeta*( c1*e_0_1_3 &
24308  +c2*e_1_1_3&
24309  +4*e_2_1_3 &
24310  -2*e_1_0_3)
24311  e_1_1_4 = zetb*( c1*e_0_1_3 &
24312  +c3*e_1_1_3&
24313  +4*e_2_1_3 &
24314  -6*e_1_1_2)
24315  e_2_2_3 = zeta*( c1*e_1_1_3 &
24316  +c2*e_2_1_3&
24317  +6*e_3_1_3 &
24318  -2*e_2_0_3)
24319  e_2_1_4 = zetb*( c1*e_1_1_3 &
24320  +c3*e_2_1_3&
24321  +6*e_3_1_3 &
24322  -6*e_2_1_2)
24323  e_3_2_3 = zeta*( c1*e_2_1_3 &
24324  +c2*e_3_1_3&
24325  +8*e_4_1_3 &
24326  -2*e_3_0_3)
24327  e_3_1_4 = zetb*( c1*e_2_1_3 &
24328  +c3*e_3_1_3&
24329  +8*e_4_1_3 &
24330  -6*e_3_1_2)
24331  e_4_2_3 = zeta*( c1*e_3_1_3 &
24332  +c2*e_4_1_3&
24333 
24334  )
24335  e_4_1_4 = zetb*( c1*e_3_1_3 &
24336  +c3*e_4_1_3&
24337 
24338  )
24339  e_5_2_3 = zeta*( c1*e_4_1_3 &
24340 
24341 
24342  )
24343  e_5_1_4 = zetb*( c1*e_4_1_3 &
24344 
24345 
24346  )
24347  e_0_2_4 = zetb*( &
24348  +c3*e_0_2_3&
24349  +2*e_1_2_3 &
24350  -6*e_0_2_2)
24351  e_1_2_4 = zetb*( c1*e_0_2_3 &
24352  +c3*e_1_2_3&
24353  +4*e_2_2_3 &
24354  -6*e_1_2_2)
24355  e_2_2_4 = zetb*( c1*e_1_2_3 &
24356  +c3*e_2_2_3&
24357  +6*e_3_2_3 &
24358  -6*e_2_2_2)
24359  e_3_2_4 = zetb*( c1*e_2_2_3 &
24360  +c3*e_3_2_3&
24361  +8*e_4_2_3 &
24362  -6*e_3_2_2)
24363  e_4_2_4 = zetb*( c1*e_3_2_3 &
24364  +c3*e_4_2_3&
24365  +10*e_5_2_3 &
24366  -6*e_4_2_2)
24367  e_5_2_4 = zetb*( c1*e_4_2_3 &
24368  +c3*e_5_2_3&
24369 
24370  )
24371  e_6_2_4 = zetb*( c1*e_5_2_3 &
24372 
24373 
24374  )
24375  e_0_1_4 = zeta*( &
24376  +c2*e_0_0_4&
24377  +2*e_1_0_4 &
24378  )
24379  e_1_1_4 = zeta*( c1*e_0_0_4 &
24380  +c2*e_1_0_4&
24381  +4*e_2_0_4 &
24382  )
24383  e_2_1_4 = zeta*( c1*e_1_0_4 &
24384  +c2*e_2_0_4&
24385  +6*e_3_0_4 &
24386  )
24387  e_3_1_4 = zeta*( c1*e_2_0_4 &
24388  +c2*e_3_0_4&
24389  +8*e_4_0_4 &
24390  )
24391  e_4_1_4 = zeta*( c1*e_3_0_4 &
24392  +c2*e_4_0_4&
24393 
24394  )
24395  e_5_1_4 = zeta*( c1*e_4_0_4 &
24396 
24397 
24398  )
24399  e_0_2_4 = zeta*( &
24400  +c2*e_0_1_4&
24401  +2*e_1_1_4 &
24402  -2*e_0_0_4)
24403  e_1_2_4 = zeta*( c1*e_0_1_4 &
24404  +c2*e_1_1_4&
24405  +4*e_2_1_4 &
24406  -2*e_1_0_4)
24407  e_2_2_4 = zeta*( c1*e_1_1_4 &
24408  +c2*e_2_1_4&
24409  +6*e_3_1_4 &
24410  -2*e_2_0_4)
24411  e_3_2_4 = zeta*( c1*e_2_1_4 &
24412  +c2*e_3_1_4&
24413  +8*e_4_1_4 &
24414  -2*e_3_0_4)
24415  e_4_2_4 = zeta*( c1*e_3_1_4 &
24416  +c2*e_4_1_4&
24417  +10*e_5_1_4 &
24418  -2*e_4_0_4)
24419  e_5_2_4 = zeta*( c1*e_4_1_4 &
24420  +c2*e_5_1_4&
24421 
24422  )
24423  e_6_2_4 = zeta*( c1*e_5_1_4 &
24424 
24425 
24426  )
24427 
24428  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
24429  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
24430  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
24431  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
24432  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
24433  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
24434  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
24435  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
24436  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
24437  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
24438  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
24439  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
24440  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
24441  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
24442  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
24443  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
24444  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
24445  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
24446  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
24447  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
24448  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
24449  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
24450  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
24451  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
24452  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
24453  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
24454  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
24455  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
24456  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
24457  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
24458  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
24459  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
24460  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
24461  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
24462  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
24463  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
24464  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
24465  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
24466  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
24467  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
24468  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
24469  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
24470  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
24471  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
24472  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
24473  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
24474  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
24475  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
24476  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
24477  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
24478  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
24479  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
24480  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
24481  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
24482  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
24483  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
24484  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
24485  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
24486  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
24487  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
24488  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
24489  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
24490  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
24491  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
24492  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
24493  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
24494  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
24495  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
24496  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
24497  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
24498  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
24499  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
24500  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
24501  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
24502  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
24503  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
24504  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
24505  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
24506  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
24507  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
24508  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
24509  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
24510  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
24511  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
24512  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
24513  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
24514  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
24515  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
24516  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
24517  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
24518  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
24519  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
24520  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
24521  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
24522  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
24523  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
24524  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
24525  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
24526  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
24527  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
24528  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
24529  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
24530  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
24531  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
24532  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
24533  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
24534  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
24535  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
24536  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
24537  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
24538  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
24539  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
24540  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
24541  s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
24542  s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
24543  s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
24544  s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
24545  s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
24546  s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
24547  s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
24548  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
24549  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
24550  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
24551  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
24552  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
24553  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
24554  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
24555  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
24556  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
24557  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
24558  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
24559  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
24560  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
24561  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
24562  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
24563  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
24564  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
24565  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
24566  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
24567  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
24568  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
24569  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
24570  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
24571  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
24572  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
24573  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
24574  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
24575  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
24576  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
24577  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
24578  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
24579  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
24580  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
24581  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
24582  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
24583  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
24584  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
24585  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
24586  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
24587  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
24588  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
24589  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
24590  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
24591  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
24592  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
24593  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
24594  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
24595  s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
24596  s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
24597  s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
24598  s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
24599  s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
24600  s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
24601  s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
24602  s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
24603  s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
24604  s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
24605  s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
24606  s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
24607  s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
24608  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
24609  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
24610  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
24611  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
24612  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
24613  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
24614  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
24615  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
24616  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
24617  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
24618  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
24619  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
24620  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
24621  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
24622  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
24623  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
24624  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
24625  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
24626  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
24627  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
24628  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
24629  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
24630  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
24631  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
24632  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
24633  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
24634  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
24635  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
24636  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
24637  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
24638  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
24639  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
24640  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
24641  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
24642  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
24643  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
24644  s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
24645  s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
24646  s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
24647  s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
24648  s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
24649  s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
24650  s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
24651  s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
24652  s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
24653  s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
24654  s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
24655  s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
24656  s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
24657  s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
24658  s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
24659  s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
24660  s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
24661  s_r(2, 4, 3) = s_r(2, 4, 3) + e_0_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
24662  s_r(2, 4, 3) = s_r(2, 4, 3) + e_1_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
24663  s_r(2, 4, 3) = s_r(2, 4, 3) + e_2_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
24664  s_r(2, 4, 3) = s_r(2, 4, 3) + e_3_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
24665  s_r(2, 4, 3) = s_r(2, 4, 3) + e_4_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
24666  s_r(2, 4, 3) = s_r(2, 4, 3) + e_5_2_4*(-1)*s_r_t2_8 ! cost: 5 flops
24667  s_r(2, 4, 3) = s_r(2, 4, 3) + e_6_2_4*(-1)*s_r_t2_9 ! cost: 5 flops
24668  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
24669  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
24670  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
24671  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
24672  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
24673  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
24674  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
24675  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
24676  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
24677  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
24678  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
24679  s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
24680  s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
24681  s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
24682  s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
24683  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
24684  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
24685  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
24686  s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
24687  s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
24688  s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
24689  s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
24690  s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
24691  s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
24692  s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
24693  s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
24694  s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
24695  s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
24696  s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
24697  s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
24698  s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
24699  s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
24700  s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
24701  s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
24702  s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
24703  s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
24704  s_r(2, 3, 4) = s_r(2, 3, 4) + e_0_2_3*(1)*s_r_t2_4 ! cost: 5 flops
24705  s_r(2, 3, 4) = s_r(2, 3, 4) + e_1_2_3*(1)*s_r_t2_5 ! cost: 5 flops
24706  s_r(2, 3, 4) = s_r(2, 3, 4) + e_2_2_3*(1)*s_r_t2_6 ! cost: 5 flops
24707  s_r(2, 3, 4) = s_r(2, 3, 4) + e_3_2_3*(1)*s_r_t2_7 ! cost: 5 flops
24708  s_r(2, 3, 4) = s_r(2, 3, 4) + e_4_2_3*(1)*s_r_t2_8 ! cost: 5 flops
24709  s_r(2, 3, 4) = s_r(2, 3, 4) + e_5_2_3*(1)*s_r_t2_9 ! cost: 5 flops
24710  s_r(0, 4, 4) = s_r(0, 4, 4) + e_0_0_4*(1)*s_r_t2_4 ! cost: 5 flops
24711  s_r(0, 4, 4) = s_r(0, 4, 4) + e_1_0_4*(1)*s_r_t2_5 ! cost: 5 flops
24712  s_r(0, 4, 4) = s_r(0, 4, 4) + e_2_0_4*(1)*s_r_t2_6 ! cost: 5 flops
24713  s_r(0, 4, 4) = s_r(0, 4, 4) + e_3_0_4*(1)*s_r_t2_7 ! cost: 5 flops
24714  s_r(0, 4, 4) = s_r(0, 4, 4) + e_4_0_4*(1)*s_r_t2_8 ! cost: 5 flops
24715  s_r(1, 4, 4) = s_r(1, 4, 4) + e_0_1_4*(1)*s_r_t2_4 ! cost: 5 flops
24716  s_r(1, 4, 4) = s_r(1, 4, 4) + e_1_1_4*(1)*s_r_t2_5 ! cost: 5 flops
24717  s_r(1, 4, 4) = s_r(1, 4, 4) + e_2_1_4*(1)*s_r_t2_6 ! cost: 5 flops
24718  s_r(1, 4, 4) = s_r(1, 4, 4) + e_3_1_4*(1)*s_r_t2_7 ! cost: 5 flops
24719  s_r(1, 4, 4) = s_r(1, 4, 4) + e_4_1_4*(1)*s_r_t2_8 ! cost: 5 flops
24720  s_r(1, 4, 4) = s_r(1, 4, 4) + e_5_1_4*(1)*s_r_t2_9 ! cost: 5 flops
24721  s_r(2, 4, 4) = s_r(2, 4, 4) + e_0_2_4*(1)*s_r_t2_4 ! cost: 5 flops
24722  s_r(2, 4, 4) = s_r(2, 4, 4) + e_1_2_4*(1)*s_r_t2_5 ! cost: 5 flops
24723  s_r(2, 4, 4) = s_r(2, 4, 4) + e_2_2_4*(1)*s_r_t2_6 ! cost: 5 flops
24724  s_r(2, 4, 4) = s_r(2, 4, 4) + e_3_2_4*(1)*s_r_t2_7 ! cost: 5 flops
24725  s_r(2, 4, 4) = s_r(2, 4, 4) + e_4_2_4*(1)*s_r_t2_8 ! cost: 5 flops
24726  s_r(2, 4, 4) = s_r(2, 4, 4) + e_5_2_4*(1)*s_r_t2_9 ! cost: 5 flops
24727  s_r(2, 4, 4) = s_r(2, 4, 4) + e_6_2_4*(1)*s_r_t2_10 ! cost: 5 flops
24728  r1 = r1 + dr
24729  END DO
24730 
24731  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
24732  END SUBROUTINE
24733  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_0_0_exp_0 ( &
24734  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
24735  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
24736  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
24737  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
24738  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
24739  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
24740  r_pow_t, r_tmp, rr1_delta, rr2_delta
24741 
24742  REAL(kind=dp) :: c1, c2, c3
24743  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
24744  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
24745  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
24746  & h_to_c_3_3
24747  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0
24748 
24749 
24750  dr = lgth
24751  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
24752 
24753  s_r(:, :, :) = 0.0_dp
24754 
24755  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
24756 
24757  h_to_c_0_0 = sqrt(alpha/pi)
24758 
24759  h_to_c_0_1 = 0.0_dp
24760  h_to_c_1_1 = +2*alpha*h_to_c_0_0
24761  h_to_c_0_2 = -1*h_to_c_1_1
24762  h_to_c_1_2 = +2*alpha*h_to_c_0_1
24763  h_to_c_2_2 = +2*alpha*h_to_c_1_1
24764  h_to_c_0_3 = -1*h_to_c_1_2
24765  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
24766  h_to_c_2_3 = +2*alpha*h_to_c_1_2
24767  h_to_c_3_3 = +2*alpha*h_to_c_2_2
24768 
24769 
24770  rr1_delta = (ra - rb)/dr
24771 
24772  rr1_l = ceiling(-r_c(1) + rr1_delta)
24773  rr1_r = floor(r_c(1) + rr1_delta)
24774 
24775  r1 = rr1_l*dr
24776 
24777  alpha_e = zeta*zetb/(zeta + zetb)
24778 
24779  DO rr1 = rr1_l, rr1_r
24780  s_r_t_0 = 0.0_dp
24781  s_r_t2_0 = 0.0_dp
24782  s_r_t_1 = 0.0_dp
24783  s_r_t2_1 = 0.0_dp
24784  s_r_t_2 = 0.0_dp
24785  s_r_t2_2 = 0.0_dp
24786  s_r_t_3 = 0.0_dp
24787  s_r_t2_3 = 0.0_dp
24788  r_tmp = r_offset + r1*zeta/(zeta + zetb)
24789  rr2_delta = -r_tmp/dr
24790 
24791  rr2_l = ceiling(-r_c(2) + rr2_delta)
24792  rr2_r = floor(r_c(2) + rr2_delta)
24793 
24794  r = r_tmp + (rr2_l)*dr
24795 
24796 
24797  DO rr2 = rr2_l, rr2_r
24798  r_pow_t = 1.0_dp
24799  exp2_rsq = exp(-alpha*r*r)
24800  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
24801  r_pow_t = r_pow_t*r
24802  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
24803  r_pow_t = r_pow_t*r
24804  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
24805  r_pow_t = r_pow_t*r
24806  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
24807 
24808  r = r + dr
24809  END DO
24810 
24811  ! C --> H
24812  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
24813  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
24814  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
24815  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
24816  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
24817  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
24818  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
24819  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
24820  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
24821  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
24822 
24823  ! H --> HH
24824  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
24825 
24826  c1 = 1.0_dp/(zeta + zetb)
24827  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
24828  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
24829 
24830  e_0_1_0 = zeta*( &
24831  +c2*e_0_0_0&
24832 
24833  )
24834  e_1_1_0 = zeta*( c1*e_0_0_0 &
24835 
24836 
24837  )
24838  e_0_2_0 = zeta*( &
24839  +c2*e_0_1_0&
24840  +2*e_1_1_0 &
24841  -2*e_0_0_0)
24842  e_1_2_0 = zeta*( c1*e_0_1_0 &
24843  +c2*e_1_1_0&
24844 
24845  )
24846  e_2_2_0 = zeta*( c1*e_1_1_0 &
24847 
24848 
24849  )
24850  e_0_3_0 = zeta*( &
24851  +c2*e_0_2_0&
24852  +2*e_1_2_0 &
24853  -4*e_0_1_0)
24854  e_1_3_0 = zeta*( c1*e_0_2_0 &
24855  +c2*e_1_2_0&
24856  +4*e_2_2_0 &
24857  -4*e_1_1_0)
24858  e_2_3_0 = zeta*( c1*e_1_2_0 &
24859  +c2*e_2_2_0&
24860 
24861  )
24862  e_3_3_0 = zeta*( c1*e_2_2_0 &
24863 
24864 
24865  )
24866 
24867  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
24868  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
24869  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
24870  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
24871  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
24872  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
24873  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
24874  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
24875  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
24876  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
24877  r1 = r1 + dr
24878  END DO
24879 
24880  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
24881  END SUBROUTINE
24882  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_0_1_exp_0 ( &
24883  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
24884  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
24885  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
24886  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
24887  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
24888  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
24889  r_pow_t, r_tmp, rr1_delta, rr2_delta
24890 
24891  REAL(kind=dp) :: c1, c2, c3
24892  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
24893  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
24894  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
24895  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
24896  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0
24897 
24898 
24899  dr = lgth
24900  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
24901 
24902  s_r(:, :, :) = 0.0_dp
24903 
24904  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
24905 
24906  h_to_c_0_0 = sqrt(alpha/pi)
24907 
24908  h_to_c_0_1 = 0.0_dp
24909  h_to_c_1_1 = +2*alpha*h_to_c_0_0
24910  h_to_c_0_2 = -1*h_to_c_1_1
24911  h_to_c_1_2 = +2*alpha*h_to_c_0_1
24912  h_to_c_2_2 = +2*alpha*h_to_c_1_1
24913  h_to_c_0_3 = -1*h_to_c_1_2
24914  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
24915  h_to_c_2_3 = +2*alpha*h_to_c_1_2
24916  h_to_c_3_3 = +2*alpha*h_to_c_2_2
24917  h_to_c_0_4 = -1*h_to_c_1_3
24918  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
24919  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
24920  h_to_c_3_4 = +2*alpha*h_to_c_2_3
24921  h_to_c_4_4 = +2*alpha*h_to_c_3_3
24922 
24923 
24924  rr1_delta = (ra - rb)/dr
24925 
24926  rr1_l = ceiling(-r_c(1) + rr1_delta)
24927  rr1_r = floor(r_c(1) + rr1_delta)
24928 
24929  r1 = rr1_l*dr
24930 
24931  alpha_e = zeta*zetb/(zeta + zetb)
24932 
24933  DO rr1 = rr1_l, rr1_r
24934  s_r_t_0 = 0.0_dp
24935  s_r_t2_0 = 0.0_dp
24936  s_r_t_1 = 0.0_dp
24937  s_r_t2_1 = 0.0_dp
24938  s_r_t_2 = 0.0_dp
24939  s_r_t2_2 = 0.0_dp
24940  s_r_t_3 = 0.0_dp
24941  s_r_t2_3 = 0.0_dp
24942  s_r_t_4 = 0.0_dp
24943  s_r_t2_4 = 0.0_dp
24944  r_tmp = r_offset + r1*zeta/(zeta + zetb)
24945  rr2_delta = -r_tmp/dr
24946 
24947  rr2_l = ceiling(-r_c(2) + rr2_delta)
24948  rr2_r = floor(r_c(2) + rr2_delta)
24949 
24950  r = r_tmp + (rr2_l)*dr
24951 
24952 
24953  DO rr2 = rr2_l, rr2_r
24954  r_pow_t = 1.0_dp
24955  exp2_rsq = exp(-alpha*r*r)
24956  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
24957  r_pow_t = r_pow_t*r
24958  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
24959  r_pow_t = r_pow_t*r
24960  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
24961  r_pow_t = r_pow_t*r
24962  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
24963  r_pow_t = r_pow_t*r
24964  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
24965 
24966  r = r + dr
24967  END DO
24968 
24969  ! C --> H
24970  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
24971  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
24972  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
24973  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
24974  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
24975  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
24976  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
24977  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
24978  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
24979  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
24980  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
24981  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
24982  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
24983  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
24984  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
24985 
24986  ! H --> HH
24987  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
24988 
24989  c1 = 1.0_dp/(zeta + zetb)
24990  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
24991  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
24992 
24993  e_0_1_0 = zeta*( &
24994  +c2*e_0_0_0&
24995 
24996  )
24997  e_1_1_0 = zeta*( c1*e_0_0_0 &
24998 
24999 
25000  )
25001  e_0_2_0 = zeta*( &
25002  +c2*e_0_1_0&
25003  +2*e_1_1_0 &
25004  -2*e_0_0_0)
25005  e_1_2_0 = zeta*( c1*e_0_1_0 &
25006  +c2*e_1_1_0&
25007 
25008  )
25009  e_2_2_0 = zeta*( c1*e_1_1_0 &
25010 
25011 
25012  )
25013  e_0_3_0 = zeta*( &
25014  +c2*e_0_2_0&
25015  +2*e_1_2_0 &
25016  -4*e_0_1_0)
25017  e_1_3_0 = zeta*( c1*e_0_2_0 &
25018  +c2*e_1_2_0&
25019  +4*e_2_2_0 &
25020  -4*e_1_1_0)
25021  e_2_3_0 = zeta*( c1*e_1_2_0 &
25022  +c2*e_2_2_0&
25023 
25024  )
25025  e_3_3_0 = zeta*( c1*e_2_2_0 &
25026 
25027 
25028  )
25029 
25030  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
25031  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
25032  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
25033  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
25034  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
25035  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
25036  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
25037  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
25038  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
25039  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
25040  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
25041  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
25042  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
25043  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
25044  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
25045  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
25046  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
25047  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
25048  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
25049  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
25050  r1 = r1 + dr
25051  END DO
25052 
25053  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
25054  END SUBROUTINE
25055  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_0_2_exp_0 ( &
25056  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
25057  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
25058  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
25059  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
25060  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
25061  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
25062  r_pow_t, r_tmp, rr1_delta, rr2_delta
25063 
25064  REAL(kind=dp) :: c1, c2, c3
25065  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
25066  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
25067  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
25068  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
25069  & h_to_c_4_5, h_to_c_5_5
25070  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0
25071 
25072 
25073  dr = lgth
25074  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
25075 
25076  s_r(:, :, :) = 0.0_dp
25077 
25078  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
25079 
25080  h_to_c_0_0 = sqrt(alpha/pi)
25081 
25082  h_to_c_0_1 = 0.0_dp
25083  h_to_c_1_1 = +2*alpha*h_to_c_0_0
25084  h_to_c_0_2 = -1*h_to_c_1_1
25085  h_to_c_1_2 = +2*alpha*h_to_c_0_1
25086  h_to_c_2_2 = +2*alpha*h_to_c_1_1
25087  h_to_c_0_3 = -1*h_to_c_1_2
25088  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
25089  h_to_c_2_3 = +2*alpha*h_to_c_1_2
25090  h_to_c_3_3 = +2*alpha*h_to_c_2_2
25091  h_to_c_0_4 = -1*h_to_c_1_3
25092  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
25093  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
25094  h_to_c_3_4 = +2*alpha*h_to_c_2_3
25095  h_to_c_4_4 = +2*alpha*h_to_c_3_3
25096  h_to_c_0_5 = -1*h_to_c_1_4
25097  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
25098  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
25099  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
25100  h_to_c_4_5 = +2*alpha*h_to_c_3_4
25101  h_to_c_5_5 = +2*alpha*h_to_c_4_4
25102 
25103 
25104  rr1_delta = (ra - rb)/dr
25105 
25106  rr1_l = ceiling(-r_c(1) + rr1_delta)
25107  rr1_r = floor(r_c(1) + rr1_delta)
25108 
25109  r1 = rr1_l*dr
25110 
25111  alpha_e = zeta*zetb/(zeta + zetb)
25112 
25113  DO rr1 = rr1_l, rr1_r
25114  s_r_t_0 = 0.0_dp
25115  s_r_t2_0 = 0.0_dp
25116  s_r_t_1 = 0.0_dp
25117  s_r_t2_1 = 0.0_dp
25118  s_r_t_2 = 0.0_dp
25119  s_r_t2_2 = 0.0_dp
25120  s_r_t_3 = 0.0_dp
25121  s_r_t2_3 = 0.0_dp
25122  s_r_t_4 = 0.0_dp
25123  s_r_t2_4 = 0.0_dp
25124  s_r_t_5 = 0.0_dp
25125  s_r_t2_5 = 0.0_dp
25126  r_tmp = r_offset + r1*zeta/(zeta + zetb)
25127  rr2_delta = -r_tmp/dr
25128 
25129  rr2_l = ceiling(-r_c(2) + rr2_delta)
25130  rr2_r = floor(r_c(2) + rr2_delta)
25131 
25132  r = r_tmp + (rr2_l)*dr
25133 
25134 
25135  DO rr2 = rr2_l, rr2_r
25136  r_pow_t = 1.0_dp
25137  exp2_rsq = exp(-alpha*r*r)
25138  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
25139  r_pow_t = r_pow_t*r
25140  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
25141  r_pow_t = r_pow_t*r
25142  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
25143  r_pow_t = r_pow_t*r
25144  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
25145  r_pow_t = r_pow_t*r
25146  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
25147  r_pow_t = r_pow_t*r
25148  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
25149 
25150  r = r + dr
25151  END DO
25152 
25153  ! C --> H
25154  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
25155  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
25156  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
25157  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
25158  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
25159  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
25160  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
25161  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
25162  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
25163  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
25164  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
25165  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
25166  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
25167  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
25168  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
25169  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
25170  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
25171  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
25172  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
25173  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
25174  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
25175 
25176  ! H --> HH
25177  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
25178 
25179  c1 = 1.0_dp/(zeta + zetb)
25180  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
25181  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
25182 
25183  e_0_1_0 = zeta*( &
25184  +c2*e_0_0_0&
25185 
25186  )
25187  e_1_1_0 = zeta*( c1*e_0_0_0 &
25188 
25189 
25190  )
25191  e_0_2_0 = zeta*( &
25192  +c2*e_0_1_0&
25193  +2*e_1_1_0 &
25194  -2*e_0_0_0)
25195  e_1_2_0 = zeta*( c1*e_0_1_0 &
25196  +c2*e_1_1_0&
25197 
25198  )
25199  e_2_2_0 = zeta*( c1*e_1_1_0 &
25200 
25201 
25202  )
25203  e_0_3_0 = zeta*( &
25204  +c2*e_0_2_0&
25205  +2*e_1_2_0 &
25206  -4*e_0_1_0)
25207  e_1_3_0 = zeta*( c1*e_0_2_0 &
25208  +c2*e_1_2_0&
25209  +4*e_2_2_0 &
25210  -4*e_1_1_0)
25211  e_2_3_0 = zeta*( c1*e_1_2_0 &
25212  +c2*e_2_2_0&
25213 
25214  )
25215  e_3_3_0 = zeta*( c1*e_2_2_0 &
25216 
25217 
25218  )
25219 
25220  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
25221  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
25222  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
25223  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
25224  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
25225  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
25226  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
25227  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
25228  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
25229  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
25230  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
25231  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
25232  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
25233  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
25234  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
25235  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
25236  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
25237  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
25238  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
25239  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
25240  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
25241  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
25242  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
25243  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
25244  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
25245  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
25246  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
25247  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
25248  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
25249  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
25250  r1 = r1 + dr
25251  END DO
25252 
25253  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
25254  END SUBROUTINE
25255  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_0_3_exp_0 ( &
25256  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
25257  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
25258  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
25259  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
25260  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
25261  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
25262  r_pow_t, r_tmp, rr1_delta, rr2_delta
25263 
25264  REAL(kind=dp) :: c1, c2, c3
25265  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
25266  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
25267  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
25268  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
25269  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
25270  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0
25271 
25272 
25273  dr = lgth
25274  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
25275 
25276  s_r(:, :, :) = 0.0_dp
25277 
25278  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
25279 
25280  h_to_c_0_0 = sqrt(alpha/pi)
25281 
25282  h_to_c_0_1 = 0.0_dp
25283  h_to_c_1_1 = +2*alpha*h_to_c_0_0
25284  h_to_c_0_2 = -1*h_to_c_1_1
25285  h_to_c_1_2 = +2*alpha*h_to_c_0_1
25286  h_to_c_2_2 = +2*alpha*h_to_c_1_1
25287  h_to_c_0_3 = -1*h_to_c_1_2
25288  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
25289  h_to_c_2_3 = +2*alpha*h_to_c_1_2
25290  h_to_c_3_3 = +2*alpha*h_to_c_2_2
25291  h_to_c_0_4 = -1*h_to_c_1_3
25292  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
25293  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
25294  h_to_c_3_4 = +2*alpha*h_to_c_2_3
25295  h_to_c_4_4 = +2*alpha*h_to_c_3_3
25296  h_to_c_0_5 = -1*h_to_c_1_4
25297  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
25298  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
25299  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
25300  h_to_c_4_5 = +2*alpha*h_to_c_3_4
25301  h_to_c_5_5 = +2*alpha*h_to_c_4_4
25302  h_to_c_0_6 = -1*h_to_c_1_5
25303  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
25304  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
25305  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
25306  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
25307  h_to_c_5_6 = +2*alpha*h_to_c_4_5
25308  h_to_c_6_6 = +2*alpha*h_to_c_5_5
25309 
25310 
25311  rr1_delta = (ra - rb)/dr
25312 
25313  rr1_l = ceiling(-r_c(1) + rr1_delta)
25314  rr1_r = floor(r_c(1) + rr1_delta)
25315 
25316  r1 = rr1_l*dr
25317 
25318  alpha_e = zeta*zetb/(zeta + zetb)
25319 
25320  DO rr1 = rr1_l, rr1_r
25321  s_r_t_0 = 0.0_dp
25322  s_r_t2_0 = 0.0_dp
25323  s_r_t_1 = 0.0_dp
25324  s_r_t2_1 = 0.0_dp
25325  s_r_t_2 = 0.0_dp
25326  s_r_t2_2 = 0.0_dp
25327  s_r_t_3 = 0.0_dp
25328  s_r_t2_3 = 0.0_dp
25329  s_r_t_4 = 0.0_dp
25330  s_r_t2_4 = 0.0_dp
25331  s_r_t_5 = 0.0_dp
25332  s_r_t2_5 = 0.0_dp
25333  s_r_t_6 = 0.0_dp
25334  s_r_t2_6 = 0.0_dp
25335  r_tmp = r_offset + r1*zeta/(zeta + zetb)
25336  rr2_delta = -r_tmp/dr
25337 
25338  rr2_l = ceiling(-r_c(2) + rr2_delta)
25339  rr2_r = floor(r_c(2) + rr2_delta)
25340 
25341  r = r_tmp + (rr2_l)*dr
25342 
25343 
25344  DO rr2 = rr2_l, rr2_r
25345  r_pow_t = 1.0_dp
25346  exp2_rsq = exp(-alpha*r*r)
25347  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
25348  r_pow_t = r_pow_t*r
25349  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
25350  r_pow_t = r_pow_t*r
25351  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
25352  r_pow_t = r_pow_t*r
25353  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
25354  r_pow_t = r_pow_t*r
25355  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
25356  r_pow_t = r_pow_t*r
25357  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
25358  r_pow_t = r_pow_t*r
25359  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
25360 
25361  r = r + dr
25362  END DO
25363 
25364  ! C --> H
25365  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
25366  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
25367  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
25368  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
25369  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
25370  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
25371  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
25372  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
25373  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
25374  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
25375  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
25376  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
25377  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
25378  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
25379  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
25380  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
25381  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
25382  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
25383  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
25384  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
25385  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
25386  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
25387  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
25388  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
25389  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
25390  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
25391  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
25392  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
25393 
25394  ! H --> HH
25395  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
25396 
25397  c1 = 1.0_dp/(zeta + zetb)
25398  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
25399  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
25400 
25401  e_0_1_0 = zeta*( &
25402  +c2*e_0_0_0&
25403 
25404  )
25405  e_1_1_0 = zeta*( c1*e_0_0_0 &
25406 
25407 
25408  )
25409  e_0_2_0 = zeta*( &
25410  +c2*e_0_1_0&
25411  +2*e_1_1_0 &
25412  -2*e_0_0_0)
25413  e_1_2_0 = zeta*( c1*e_0_1_0 &
25414  +c2*e_1_1_0&
25415 
25416  )
25417  e_2_2_0 = zeta*( c1*e_1_1_0 &
25418 
25419 
25420  )
25421  e_0_3_0 = zeta*( &
25422  +c2*e_0_2_0&
25423  +2*e_1_2_0 &
25424  -4*e_0_1_0)
25425  e_1_3_0 = zeta*( c1*e_0_2_0 &
25426  +c2*e_1_2_0&
25427  +4*e_2_2_0 &
25428  -4*e_1_1_0)
25429  e_2_3_0 = zeta*( c1*e_1_2_0 &
25430  +c2*e_2_2_0&
25431 
25432  )
25433  e_3_3_0 = zeta*( c1*e_2_2_0 &
25434 
25435 
25436  )
25437 
25438  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
25439  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
25440  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
25441  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
25442  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
25443  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
25444  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
25445  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
25446  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
25447  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
25448  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
25449  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
25450  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
25451  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
25452  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
25453  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
25454  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
25455  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
25456  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
25457  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
25458  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
25459  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
25460  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
25461  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
25462  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
25463  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
25464  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
25465  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
25466  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
25467  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
25468  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
25469  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
25470  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
25471  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
25472  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
25473  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
25474  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
25475  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
25476  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
25477  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
25478  r1 = r1 + dr
25479  END DO
25480 
25481  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
25482  END SUBROUTINE
25483  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_0_4_exp_0 ( &
25484  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
25485  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
25486  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
25487  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
25488  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
25489  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
25490  r_pow_t, r_tmp, rr1_delta, rr2_delta
25491 
25492  REAL(kind=dp) :: c1, c2, c3
25493  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
25494  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
25495  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
25496  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
25497  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
25498  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
25499  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0
25500 
25501 
25502  dr = lgth
25503  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
25504 
25505  s_r(:, :, :) = 0.0_dp
25506 
25507  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
25508 
25509  h_to_c_0_0 = sqrt(alpha/pi)
25510 
25511  h_to_c_0_1 = 0.0_dp
25512  h_to_c_1_1 = +2*alpha*h_to_c_0_0
25513  h_to_c_0_2 = -1*h_to_c_1_1
25514  h_to_c_1_2 = +2*alpha*h_to_c_0_1
25515  h_to_c_2_2 = +2*alpha*h_to_c_1_1
25516  h_to_c_0_3 = -1*h_to_c_1_2
25517  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
25518  h_to_c_2_3 = +2*alpha*h_to_c_1_2
25519  h_to_c_3_3 = +2*alpha*h_to_c_2_2
25520  h_to_c_0_4 = -1*h_to_c_1_3
25521  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
25522  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
25523  h_to_c_3_4 = +2*alpha*h_to_c_2_3
25524  h_to_c_4_4 = +2*alpha*h_to_c_3_3
25525  h_to_c_0_5 = -1*h_to_c_1_4
25526  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
25527  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
25528  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
25529  h_to_c_4_5 = +2*alpha*h_to_c_3_4
25530  h_to_c_5_5 = +2*alpha*h_to_c_4_4
25531  h_to_c_0_6 = -1*h_to_c_1_5
25532  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
25533  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
25534  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
25535  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
25536  h_to_c_5_6 = +2*alpha*h_to_c_4_5
25537  h_to_c_6_6 = +2*alpha*h_to_c_5_5
25538  h_to_c_0_7 = -1*h_to_c_1_6
25539  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
25540  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
25541  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
25542  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
25543  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
25544  h_to_c_6_7 = +2*alpha*h_to_c_5_6
25545  h_to_c_7_7 = +2*alpha*h_to_c_6_6
25546 
25547 
25548  rr1_delta = (ra - rb)/dr
25549 
25550  rr1_l = ceiling(-r_c(1) + rr1_delta)
25551  rr1_r = floor(r_c(1) + rr1_delta)
25552 
25553  r1 = rr1_l*dr
25554 
25555  alpha_e = zeta*zetb/(zeta + zetb)
25556 
25557  DO rr1 = rr1_l, rr1_r
25558  s_r_t_0 = 0.0_dp
25559  s_r_t2_0 = 0.0_dp
25560  s_r_t_1 = 0.0_dp
25561  s_r_t2_1 = 0.0_dp
25562  s_r_t_2 = 0.0_dp
25563  s_r_t2_2 = 0.0_dp
25564  s_r_t_3 = 0.0_dp
25565  s_r_t2_3 = 0.0_dp
25566  s_r_t_4 = 0.0_dp
25567  s_r_t2_4 = 0.0_dp
25568  s_r_t_5 = 0.0_dp
25569  s_r_t2_5 = 0.0_dp
25570  s_r_t_6 = 0.0_dp
25571  s_r_t2_6 = 0.0_dp
25572  s_r_t_7 = 0.0_dp
25573  s_r_t2_7 = 0.0_dp
25574  r_tmp = r_offset + r1*zeta/(zeta + zetb)
25575  rr2_delta = -r_tmp/dr
25576 
25577  rr2_l = ceiling(-r_c(2) + rr2_delta)
25578  rr2_r = floor(r_c(2) + rr2_delta)
25579 
25580  r = r_tmp + (rr2_l)*dr
25581 
25582 
25583  DO rr2 = rr2_l, rr2_r
25584  r_pow_t = 1.0_dp
25585  exp2_rsq = exp(-alpha*r*r)
25586  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
25587  r_pow_t = r_pow_t*r
25588  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
25589  r_pow_t = r_pow_t*r
25590  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
25591  r_pow_t = r_pow_t*r
25592  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
25593  r_pow_t = r_pow_t*r
25594  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
25595  r_pow_t = r_pow_t*r
25596  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
25597  r_pow_t = r_pow_t*r
25598  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
25599  r_pow_t = r_pow_t*r
25600  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
25601 
25602  r = r + dr
25603  END DO
25604 
25605  ! C --> H
25606  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
25607  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
25608  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
25609  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
25610  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
25611  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
25612  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
25613  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
25614  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
25615  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
25616  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
25617  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
25618  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
25619  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
25620  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
25621  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
25622  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
25623  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
25624  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
25625  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
25626  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
25627  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
25628  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
25629  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
25630  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
25631  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
25632  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
25633  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
25634  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
25635  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
25636  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
25637  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
25638  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
25639  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
25640  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
25641  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
25642 
25643  ! H --> HH
25644  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
25645 
25646  c1 = 1.0_dp/(zeta + zetb)
25647  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
25648  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
25649 
25650  e_0_1_0 = zeta*( &
25651  +c2*e_0_0_0&
25652 
25653  )
25654  e_1_1_0 = zeta*( c1*e_0_0_0 &
25655 
25656 
25657  )
25658  e_0_2_0 = zeta*( &
25659  +c2*e_0_1_0&
25660  +2*e_1_1_0 &
25661  -2*e_0_0_0)
25662  e_1_2_0 = zeta*( c1*e_0_1_0 &
25663  +c2*e_1_1_0&
25664 
25665  )
25666  e_2_2_0 = zeta*( c1*e_1_1_0 &
25667 
25668 
25669  )
25670  e_0_3_0 = zeta*( &
25671  +c2*e_0_2_0&
25672  +2*e_1_2_0 &
25673  -4*e_0_1_0)
25674  e_1_3_0 = zeta*( c1*e_0_2_0 &
25675  +c2*e_1_2_0&
25676  +4*e_2_2_0 &
25677  -4*e_1_1_0)
25678  e_2_3_0 = zeta*( c1*e_1_2_0 &
25679  +c2*e_2_2_0&
25680 
25681  )
25682  e_3_3_0 = zeta*( c1*e_2_2_0 &
25683 
25684 
25685  )
25686 
25687  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
25688  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
25689  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
25690  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
25691  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
25692  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
25693  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
25694  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
25695  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
25696  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
25697  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
25698  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
25699  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
25700  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
25701  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
25702  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
25703  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
25704  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
25705  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
25706  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
25707  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
25708  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
25709  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
25710  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
25711  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
25712  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
25713  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
25714  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
25715  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
25716  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
25717  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
25718  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
25719  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
25720  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
25721  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
25722  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
25723  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
25724  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
25725  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
25726  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
25727  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
25728  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
25729  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
25730  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
25731  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
25732  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
25733  s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
25734  s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
25735  s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
25736  s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
25737  r1 = r1 + dr
25738  END DO
25739 
25740  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
25741  END SUBROUTINE
25742  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_1_0_exp_0 ( &
25743  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
25744  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
25745  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
25746  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
25747  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
25748  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
25749  r_pow_t, r_tmp, rr1_delta, rr2_delta
25750 
25751  REAL(kind=dp) :: c1, c2, c3
25752  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
25753  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
25754  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
25755  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
25756  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
25757  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1
25758 
25759 
25760  dr = lgth
25761  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
25762 
25763  s_r(:, :, :) = 0.0_dp
25764 
25765  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
25766 
25767  h_to_c_0_0 = sqrt(alpha/pi)
25768 
25769  h_to_c_0_1 = 0.0_dp
25770  h_to_c_1_1 = +2*alpha*h_to_c_0_0
25771  h_to_c_0_2 = -1*h_to_c_1_1
25772  h_to_c_1_2 = +2*alpha*h_to_c_0_1
25773  h_to_c_2_2 = +2*alpha*h_to_c_1_1
25774  h_to_c_0_3 = -1*h_to_c_1_2
25775  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
25776  h_to_c_2_3 = +2*alpha*h_to_c_1_2
25777  h_to_c_3_3 = +2*alpha*h_to_c_2_2
25778  h_to_c_0_4 = -1*h_to_c_1_3
25779  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
25780  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
25781  h_to_c_3_4 = +2*alpha*h_to_c_2_3
25782  h_to_c_4_4 = +2*alpha*h_to_c_3_3
25783 
25784 
25785  rr1_delta = (ra - rb)/dr
25786 
25787  rr1_l = ceiling(-r_c(1) + rr1_delta)
25788  rr1_r = floor(r_c(1) + rr1_delta)
25789 
25790  r1 = rr1_l*dr
25791 
25792  alpha_e = zeta*zetb/(zeta + zetb)
25793 
25794  DO rr1 = rr1_l, rr1_r
25795  s_r_t_0 = 0.0_dp
25796  s_r_t2_0 = 0.0_dp
25797  s_r_t_1 = 0.0_dp
25798  s_r_t2_1 = 0.0_dp
25799  s_r_t_2 = 0.0_dp
25800  s_r_t2_2 = 0.0_dp
25801  s_r_t_3 = 0.0_dp
25802  s_r_t2_3 = 0.0_dp
25803  s_r_t_4 = 0.0_dp
25804  s_r_t2_4 = 0.0_dp
25805  r_tmp = r_offset + r1*zeta/(zeta + zetb)
25806  rr2_delta = -r_tmp/dr
25807 
25808  rr2_l = ceiling(-r_c(2) + rr2_delta)
25809  rr2_r = floor(r_c(2) + rr2_delta)
25810 
25811  r = r_tmp + (rr2_l)*dr
25812 
25813 
25814  DO rr2 = rr2_l, rr2_r
25815  r_pow_t = 1.0_dp
25816  exp2_rsq = exp(-alpha*r*r)
25817  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
25818  r_pow_t = r_pow_t*r
25819  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
25820  r_pow_t = r_pow_t*r
25821  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
25822  r_pow_t = r_pow_t*r
25823  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
25824  r_pow_t = r_pow_t*r
25825  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
25826 
25827  r = r + dr
25828  END DO
25829 
25830  ! C --> H
25831  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
25832  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
25833  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
25834  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
25835  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
25836  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
25837  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
25838  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
25839  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
25840  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
25841  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
25842  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
25843  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
25844  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
25845  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
25846 
25847  ! H --> HH
25848  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
25849 
25850  c1 = 1.0_dp/(zeta + zetb)
25851  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
25852  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
25853 
25854  e_0_1_0 = zeta*( &
25855  +c2*e_0_0_0&
25856 
25857  )
25858  e_0_0_1 = zetb*( &
25859  +c3*e_0_0_0&
25860 
25861  )
25862  e_1_1_0 = zeta*( c1*e_0_0_0 &
25863 
25864 
25865  )
25866  e_1_0_1 = zetb*( c1*e_0_0_0 &
25867 
25868 
25869  )
25870  e_0_2_0 = zeta*( &
25871  +c2*e_0_1_0&
25872  +2*e_1_1_0 &
25873  -2*e_0_0_0)
25874  e_0_1_1 = zetb*( &
25875  +c3*e_0_1_0&
25876  +2*e_1_1_0 &
25877  )
25878  e_1_2_0 = zeta*( c1*e_0_1_0 &
25879  +c2*e_1_1_0&
25880 
25881  )
25882  e_1_1_1 = zetb*( c1*e_0_1_0 &
25883  +c3*e_1_1_0&
25884 
25885  )
25886  e_2_2_0 = zeta*( c1*e_1_1_0 &
25887 
25888 
25889  )
25890  e_2_1_1 = zetb*( c1*e_1_1_0 &
25891 
25892 
25893  )
25894  e_0_3_0 = zeta*( &
25895  +c2*e_0_2_0&
25896  +2*e_1_2_0 &
25897  -4*e_0_1_0)
25898  e_0_2_1 = zetb*( &
25899  +c3*e_0_2_0&
25900  +2*e_1_2_0 &
25901  )
25902  e_1_3_0 = zeta*( c1*e_0_2_0 &
25903  +c2*e_1_2_0&
25904  +4*e_2_2_0 &
25905  -4*e_1_1_0)
25906  e_1_2_1 = zetb*( c1*e_0_2_0 &
25907  +c3*e_1_2_0&
25908  +4*e_2_2_0 &
25909  )
25910  e_2_3_0 = zeta*( c1*e_1_2_0 &
25911  +c2*e_2_2_0&
25912 
25913  )
25914  e_2_2_1 = zetb*( c1*e_1_2_0 &
25915  +c3*e_2_2_0&
25916 
25917  )
25918  e_3_3_0 = zeta*( c1*e_2_2_0 &
25919 
25920 
25921  )
25922  e_3_2_1 = zetb*( c1*e_2_2_0 &
25923 
25924 
25925  )
25926  e_0_3_1 = zetb*( &
25927  +c3*e_0_3_0&
25928  +2*e_1_3_0 &
25929  )
25930  e_1_3_1 = zetb*( c1*e_0_3_0 &
25931  +c3*e_1_3_0&
25932  +4*e_2_3_0 &
25933  )
25934  e_2_3_1 = zetb*( c1*e_1_3_0 &
25935  +c3*e_2_3_0&
25936  +6*e_3_3_0 &
25937  )
25938  e_3_3_1 = zetb*( c1*e_2_3_0 &
25939  +c3*e_3_3_0&
25940 
25941  )
25942  e_4_3_1 = zetb*( c1*e_3_3_0 &
25943 
25944 
25945  )
25946  e_0_1_1 = zeta*( &
25947  +c2*e_0_0_1&
25948  +2*e_1_0_1 &
25949  )
25950  e_1_1_1 = zeta*( c1*e_0_0_1 &
25951  +c2*e_1_0_1&
25952 
25953  )
25954  e_2_1_1 = zeta*( c1*e_1_0_1 &
25955 
25956 
25957  )
25958  e_0_2_1 = zeta*( &
25959  +c2*e_0_1_1&
25960  +2*e_1_1_1 &
25961  -2*e_0_0_1)
25962  e_1_2_1 = zeta*( c1*e_0_1_1 &
25963  +c2*e_1_1_1&
25964  +4*e_2_1_1 &
25965  -2*e_1_0_1)
25966  e_2_2_1 = zeta*( c1*e_1_1_1 &
25967  +c2*e_2_1_1&
25968 
25969  )
25970  e_3_2_1 = zeta*( c1*e_2_1_1 &
25971 
25972 
25973  )
25974  e_0_3_1 = zeta*( &
25975  +c2*e_0_2_1&
25976  +2*e_1_2_1 &
25977  -4*e_0_1_1)
25978  e_1_3_1 = zeta*( c1*e_0_2_1 &
25979  +c2*e_1_2_1&
25980  +4*e_2_2_1 &
25981  -4*e_1_1_1)
25982  e_2_3_1 = zeta*( c1*e_1_2_1 &
25983  +c2*e_2_2_1&
25984  +6*e_3_2_1 &
25985  -4*e_2_1_1)
25986  e_3_3_1 = zeta*( c1*e_2_2_1 &
25987  +c2*e_3_2_1&
25988 
25989  )
25990  e_4_3_1 = zeta*( c1*e_3_2_1 &
25991 
25992 
25993  )
25994 
25995  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
25996  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
25997  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
25998  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
25999  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
26000  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
26001  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
26002  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
26003  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
26004  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
26005  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
26006  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
26007  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
26008  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
26009  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
26010  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
26011  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
26012  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
26013  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
26014  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
26015  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
26016  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
26017  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
26018  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
26019  r1 = r1 + dr
26020  END DO
26021 
26022  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
26023  END SUBROUTINE
26024  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_1_1_exp_0 ( &
26025  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
26026  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
26027  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
26028  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
26029  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
26030  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
26031  r_pow_t, r_tmp, rr1_delta, rr2_delta
26032 
26033  REAL(kind=dp) :: c1, c2, c3
26034  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
26035  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
26036  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
26037  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
26038  & h_to_c_4_5, h_to_c_5_5
26039  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
26040  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1
26041 
26042 
26043  dr = lgth
26044  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
26045 
26046  s_r(:, :, :) = 0.0_dp
26047 
26048  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
26049 
26050  h_to_c_0_0 = sqrt(alpha/pi)
26051 
26052  h_to_c_0_1 = 0.0_dp
26053  h_to_c_1_1 = +2*alpha*h_to_c_0_0
26054  h_to_c_0_2 = -1*h_to_c_1_1
26055  h_to_c_1_2 = +2*alpha*h_to_c_0_1
26056  h_to_c_2_2 = +2*alpha*h_to_c_1_1
26057  h_to_c_0_3 = -1*h_to_c_1_2
26058  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
26059  h_to_c_2_3 = +2*alpha*h_to_c_1_2
26060  h_to_c_3_3 = +2*alpha*h_to_c_2_2
26061  h_to_c_0_4 = -1*h_to_c_1_3
26062  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
26063  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
26064  h_to_c_3_4 = +2*alpha*h_to_c_2_3
26065  h_to_c_4_4 = +2*alpha*h_to_c_3_3
26066  h_to_c_0_5 = -1*h_to_c_1_4
26067  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
26068  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
26069  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
26070  h_to_c_4_5 = +2*alpha*h_to_c_3_4
26071  h_to_c_5_5 = +2*alpha*h_to_c_4_4
26072 
26073 
26074  rr1_delta = (ra - rb)/dr
26075 
26076  rr1_l = ceiling(-r_c(1) + rr1_delta)
26077  rr1_r = floor(r_c(1) + rr1_delta)
26078 
26079  r1 = rr1_l*dr
26080 
26081  alpha_e = zeta*zetb/(zeta + zetb)
26082 
26083  DO rr1 = rr1_l, rr1_r
26084  s_r_t_0 = 0.0_dp
26085  s_r_t2_0 = 0.0_dp
26086  s_r_t_1 = 0.0_dp
26087  s_r_t2_1 = 0.0_dp
26088  s_r_t_2 = 0.0_dp
26089  s_r_t2_2 = 0.0_dp
26090  s_r_t_3 = 0.0_dp
26091  s_r_t2_3 = 0.0_dp
26092  s_r_t_4 = 0.0_dp
26093  s_r_t2_4 = 0.0_dp
26094  s_r_t_5 = 0.0_dp
26095  s_r_t2_5 = 0.0_dp
26096  r_tmp = r_offset + r1*zeta/(zeta + zetb)
26097  rr2_delta = -r_tmp/dr
26098 
26099  rr2_l = ceiling(-r_c(2) + rr2_delta)
26100  rr2_r = floor(r_c(2) + rr2_delta)
26101 
26102  r = r_tmp + (rr2_l)*dr
26103 
26104 
26105  DO rr2 = rr2_l, rr2_r
26106  r_pow_t = 1.0_dp
26107  exp2_rsq = exp(-alpha*r*r)
26108  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
26109  r_pow_t = r_pow_t*r
26110  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
26111  r_pow_t = r_pow_t*r
26112  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
26113  r_pow_t = r_pow_t*r
26114  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
26115  r_pow_t = r_pow_t*r
26116  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
26117  r_pow_t = r_pow_t*r
26118  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
26119 
26120  r = r + dr
26121  END DO
26122 
26123  ! C --> H
26124  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
26125  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
26126  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
26127  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
26128  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
26129  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
26130  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
26131  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
26132  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
26133  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
26134  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
26135  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
26136  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
26137  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
26138  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
26139  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
26140  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
26141  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
26142  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
26143  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
26144  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
26145 
26146  ! H --> HH
26147  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
26148 
26149  c1 = 1.0_dp/(zeta + zetb)
26150  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
26151  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
26152 
26153  e_0_1_0 = zeta*( &
26154  +c2*e_0_0_0&
26155 
26156  )
26157  e_0_0_1 = zetb*( &
26158  +c3*e_0_0_0&
26159 
26160  )
26161  e_1_1_0 = zeta*( c1*e_0_0_0 &
26162 
26163 
26164  )
26165  e_1_0_1 = zetb*( c1*e_0_0_0 &
26166 
26167 
26168  )
26169  e_0_2_0 = zeta*( &
26170  +c2*e_0_1_0&
26171  +2*e_1_1_0 &
26172  -2*e_0_0_0)
26173  e_0_1_1 = zetb*( &
26174  +c3*e_0_1_0&
26175  +2*e_1_1_0 &
26176  )
26177  e_1_2_0 = zeta*( c1*e_0_1_0 &
26178  +c2*e_1_1_0&
26179 
26180  )
26181  e_1_1_1 = zetb*( c1*e_0_1_0 &
26182  +c3*e_1_1_0&
26183 
26184  )
26185  e_2_2_0 = zeta*( c1*e_1_1_0 &
26186 
26187 
26188  )
26189  e_2_1_1 = zetb*( c1*e_1_1_0 &
26190 
26191 
26192  )
26193  e_0_3_0 = zeta*( &
26194  +c2*e_0_2_0&
26195  +2*e_1_2_0 &
26196  -4*e_0_1_0)
26197  e_0_2_1 = zetb*( &
26198  +c3*e_0_2_0&
26199  +2*e_1_2_0 &
26200  )
26201  e_1_3_0 = zeta*( c1*e_0_2_0 &
26202  +c2*e_1_2_0&
26203  +4*e_2_2_0 &
26204  -4*e_1_1_0)
26205  e_1_2_1 = zetb*( c1*e_0_2_0 &
26206  +c3*e_1_2_0&
26207  +4*e_2_2_0 &
26208  )
26209  e_2_3_0 = zeta*( c1*e_1_2_0 &
26210  +c2*e_2_2_0&
26211 
26212  )
26213  e_2_2_1 = zetb*( c1*e_1_2_0 &
26214  +c3*e_2_2_0&
26215 
26216  )
26217  e_3_3_0 = zeta*( c1*e_2_2_0 &
26218 
26219 
26220  )
26221  e_3_2_1 = zetb*( c1*e_2_2_0 &
26222 
26223 
26224  )
26225  e_0_3_1 = zetb*( &
26226  +c3*e_0_3_0&
26227  +2*e_1_3_0 &
26228  )
26229  e_1_3_1 = zetb*( c1*e_0_3_0 &
26230  +c3*e_1_3_0&
26231  +4*e_2_3_0 &
26232  )
26233  e_2_3_1 = zetb*( c1*e_1_3_0 &
26234  +c3*e_2_3_0&
26235  +6*e_3_3_0 &
26236  )
26237  e_3_3_1 = zetb*( c1*e_2_3_0 &
26238  +c3*e_3_3_0&
26239 
26240  )
26241  e_4_3_1 = zetb*( c1*e_3_3_0 &
26242 
26243 
26244  )
26245  e_0_1_1 = zeta*( &
26246  +c2*e_0_0_1&
26247  +2*e_1_0_1 &
26248  )
26249  e_1_1_1 = zeta*( c1*e_0_0_1 &
26250  +c2*e_1_0_1&
26251 
26252  )
26253  e_2_1_1 = zeta*( c1*e_1_0_1 &
26254 
26255 
26256  )
26257  e_0_2_1 = zeta*( &
26258  +c2*e_0_1_1&
26259  +2*e_1_1_1 &
26260  -2*e_0_0_1)
26261  e_1_2_1 = zeta*( c1*e_0_1_1 &
26262  +c2*e_1_1_1&
26263  +4*e_2_1_1 &
26264  -2*e_1_0_1)
26265  e_2_2_1 = zeta*( c1*e_1_1_1 &
26266  +c2*e_2_1_1&
26267 
26268  )
26269  e_3_2_1 = zeta*( c1*e_2_1_1 &
26270 
26271 
26272  )
26273  e_0_3_1 = zeta*( &
26274  +c2*e_0_2_1&
26275  +2*e_1_2_1 &
26276  -4*e_0_1_1)
26277  e_1_3_1 = zeta*( c1*e_0_2_1 &
26278  +c2*e_1_2_1&
26279  +4*e_2_2_1 &
26280  -4*e_1_1_1)
26281  e_2_3_1 = zeta*( c1*e_1_2_1 &
26282  +c2*e_2_2_1&
26283  +6*e_3_2_1 &
26284  -4*e_2_1_1)
26285  e_3_3_1 = zeta*( c1*e_2_2_1 &
26286  +c2*e_3_2_1&
26287 
26288  )
26289  e_4_3_1 = zeta*( c1*e_3_2_1 &
26290 
26291 
26292  )
26293 
26294  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
26295  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
26296  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
26297  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
26298  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
26299  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
26300  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
26301  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
26302  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
26303  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
26304  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
26305  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
26306  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
26307  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
26308  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
26309  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
26310  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
26311  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
26312  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
26313  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
26314  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
26315  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
26316  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
26317  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
26318  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
26319  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
26320  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
26321  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
26322  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
26323  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
26324  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
26325  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
26326  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
26327  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
26328  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
26329  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
26330  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
26331  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
26332  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
26333  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
26334  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
26335  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
26336  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
26337  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
26338  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
26339  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
26340  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
26341  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
26342  r1 = r1 + dr
26343  END DO
26344 
26345  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
26346  END SUBROUTINE
26347  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_1_2_exp_0 ( &
26348  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
26349  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
26350  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
26351  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
26352  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
26353  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
26354  r_pow_t, r_tmp, rr1_delta, rr2_delta
26355 
26356  REAL(kind=dp) :: c1, c2, c3
26357  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
26358  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
26359  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
26360  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
26361  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
26362  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
26363  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1
26364 
26365 
26366  dr = lgth
26367  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
26368 
26369  s_r(:, :, :) = 0.0_dp
26370 
26371  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
26372 
26373  h_to_c_0_0 = sqrt(alpha/pi)
26374 
26375  h_to_c_0_1 = 0.0_dp
26376  h_to_c_1_1 = +2*alpha*h_to_c_0_0
26377  h_to_c_0_2 = -1*h_to_c_1_1
26378  h_to_c_1_2 = +2*alpha*h_to_c_0_1
26379  h_to_c_2_2 = +2*alpha*h_to_c_1_1
26380  h_to_c_0_3 = -1*h_to_c_1_2
26381  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
26382  h_to_c_2_3 = +2*alpha*h_to_c_1_2
26383  h_to_c_3_3 = +2*alpha*h_to_c_2_2
26384  h_to_c_0_4 = -1*h_to_c_1_3
26385  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
26386  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
26387  h_to_c_3_4 = +2*alpha*h_to_c_2_3
26388  h_to_c_4_4 = +2*alpha*h_to_c_3_3
26389  h_to_c_0_5 = -1*h_to_c_1_4
26390  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
26391  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
26392  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
26393  h_to_c_4_5 = +2*alpha*h_to_c_3_4
26394  h_to_c_5_5 = +2*alpha*h_to_c_4_4
26395  h_to_c_0_6 = -1*h_to_c_1_5
26396  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
26397  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
26398  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
26399  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
26400  h_to_c_5_6 = +2*alpha*h_to_c_4_5
26401  h_to_c_6_6 = +2*alpha*h_to_c_5_5
26402 
26403 
26404  rr1_delta = (ra - rb)/dr
26405 
26406  rr1_l = ceiling(-r_c(1) + rr1_delta)
26407  rr1_r = floor(r_c(1) + rr1_delta)
26408 
26409  r1 = rr1_l*dr
26410 
26411  alpha_e = zeta*zetb/(zeta + zetb)
26412 
26413  DO rr1 = rr1_l, rr1_r
26414  s_r_t_0 = 0.0_dp
26415  s_r_t2_0 = 0.0_dp
26416  s_r_t_1 = 0.0_dp
26417  s_r_t2_1 = 0.0_dp
26418  s_r_t_2 = 0.0_dp
26419  s_r_t2_2 = 0.0_dp
26420  s_r_t_3 = 0.0_dp
26421  s_r_t2_3 = 0.0_dp
26422  s_r_t_4 = 0.0_dp
26423  s_r_t2_4 = 0.0_dp
26424  s_r_t_5 = 0.0_dp
26425  s_r_t2_5 = 0.0_dp
26426  s_r_t_6 = 0.0_dp
26427  s_r_t2_6 = 0.0_dp
26428  r_tmp = r_offset + r1*zeta/(zeta + zetb)
26429  rr2_delta = -r_tmp/dr
26430 
26431  rr2_l = ceiling(-r_c(2) + rr2_delta)
26432  rr2_r = floor(r_c(2) + rr2_delta)
26433 
26434  r = r_tmp + (rr2_l)*dr
26435 
26436 
26437  DO rr2 = rr2_l, rr2_r
26438  r_pow_t = 1.0_dp
26439  exp2_rsq = exp(-alpha*r*r)
26440  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
26441  r_pow_t = r_pow_t*r
26442  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
26443  r_pow_t = r_pow_t*r
26444  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
26445  r_pow_t = r_pow_t*r
26446  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
26447  r_pow_t = r_pow_t*r
26448  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
26449  r_pow_t = r_pow_t*r
26450  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
26451  r_pow_t = r_pow_t*r
26452  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
26453 
26454  r = r + dr
26455  END DO
26456 
26457  ! C --> H
26458  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
26459  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
26460  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
26461  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
26462  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
26463  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
26464  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
26465  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
26466  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
26467  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
26468  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
26469  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
26470  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
26471  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
26472  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
26473  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
26474  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
26475  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
26476  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
26477  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
26478  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
26479  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
26480  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
26481  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
26482  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
26483  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
26484  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
26485  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
26486 
26487  ! H --> HH
26488  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
26489 
26490  c1 = 1.0_dp/(zeta + zetb)
26491  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
26492  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
26493 
26494  e_0_1_0 = zeta*( &
26495  +c2*e_0_0_0&
26496 
26497  )
26498  e_0_0_1 = zetb*( &
26499  +c3*e_0_0_0&
26500 
26501  )
26502  e_1_1_0 = zeta*( c1*e_0_0_0 &
26503 
26504 
26505  )
26506  e_1_0_1 = zetb*( c1*e_0_0_0 &
26507 
26508 
26509  )
26510  e_0_2_0 = zeta*( &
26511  +c2*e_0_1_0&
26512  +2*e_1_1_0 &
26513  -2*e_0_0_0)
26514  e_0_1_1 = zetb*( &
26515  +c3*e_0_1_0&
26516  +2*e_1_1_0 &
26517  )
26518  e_1_2_0 = zeta*( c1*e_0_1_0 &
26519  +c2*e_1_1_0&
26520 
26521  )
26522  e_1_1_1 = zetb*( c1*e_0_1_0 &
26523  +c3*e_1_1_0&
26524 
26525  )
26526  e_2_2_0 = zeta*( c1*e_1_1_0 &
26527 
26528 
26529  )
26530  e_2_1_1 = zetb*( c1*e_1_1_0 &
26531 
26532 
26533  )
26534  e_0_3_0 = zeta*( &
26535  +c2*e_0_2_0&
26536  +2*e_1_2_0 &
26537  -4*e_0_1_0)
26538  e_0_2_1 = zetb*( &
26539  +c3*e_0_2_0&
26540  +2*e_1_2_0 &
26541  )
26542  e_1_3_0 = zeta*( c1*e_0_2_0 &
26543  +c2*e_1_2_0&
26544  +4*e_2_2_0 &
26545  -4*e_1_1_0)
26546  e_1_2_1 = zetb*( c1*e_0_2_0 &
26547  +c3*e_1_2_0&
26548  +4*e_2_2_0 &
26549  )
26550  e_2_3_0 = zeta*( c1*e_1_2_0 &
26551  +c2*e_2_2_0&
26552 
26553  )
26554  e_2_2_1 = zetb*( c1*e_1_2_0 &
26555  +c3*e_2_2_0&
26556 
26557  )
26558  e_3_3_0 = zeta*( c1*e_2_2_0 &
26559 
26560 
26561  )
26562  e_3_2_1 = zetb*( c1*e_2_2_0 &
26563 
26564 
26565  )
26566  e_0_3_1 = zetb*( &
26567  +c3*e_0_3_0&
26568  +2*e_1_3_0 &
26569  )
26570  e_1_3_1 = zetb*( c1*e_0_3_0 &
26571  +c3*e_1_3_0&
26572  +4*e_2_3_0 &
26573  )
26574  e_2_3_1 = zetb*( c1*e_1_3_0 &
26575  +c3*e_2_3_0&
26576  +6*e_3_3_0 &
26577  )
26578  e_3_3_1 = zetb*( c1*e_2_3_0 &
26579  +c3*e_3_3_0&
26580 
26581  )
26582  e_4_3_1 = zetb*( c1*e_3_3_0 &
26583 
26584 
26585  )
26586  e_0_1_1 = zeta*( &
26587  +c2*e_0_0_1&
26588  +2*e_1_0_1 &
26589  )
26590  e_1_1_1 = zeta*( c1*e_0_0_1 &
26591  +c2*e_1_0_1&
26592 
26593  )
26594  e_2_1_1 = zeta*( c1*e_1_0_1 &
26595 
26596 
26597  )
26598  e_0_2_1 = zeta*( &
26599  +c2*e_0_1_1&
26600  +2*e_1_1_1 &
26601  -2*e_0_0_1)
26602  e_1_2_1 = zeta*( c1*e_0_1_1 &
26603  +c2*e_1_1_1&
26604  +4*e_2_1_1 &
26605  -2*e_1_0_1)
26606  e_2_2_1 = zeta*( c1*e_1_1_1 &
26607  +c2*e_2_1_1&
26608 
26609  )
26610  e_3_2_1 = zeta*( c1*e_2_1_1 &
26611 
26612 
26613  )
26614  e_0_3_1 = zeta*( &
26615  +c2*e_0_2_1&
26616  +2*e_1_2_1 &
26617  -4*e_0_1_1)
26618  e_1_3_1 = zeta*( c1*e_0_2_1 &
26619  +c2*e_1_2_1&
26620  +4*e_2_2_1 &
26621  -4*e_1_1_1)
26622  e_2_3_1 = zeta*( c1*e_1_2_1 &
26623  +c2*e_2_2_1&
26624  +6*e_3_2_1 &
26625  -4*e_2_1_1)
26626  e_3_3_1 = zeta*( c1*e_2_2_1 &
26627  +c2*e_3_2_1&
26628 
26629  )
26630  e_4_3_1 = zeta*( c1*e_3_2_1 &
26631 
26632 
26633  )
26634 
26635  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
26636  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
26637  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
26638  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
26639  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
26640  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
26641  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
26642  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
26643  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
26644  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
26645  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
26646  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
26647  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
26648  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
26649  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
26650  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
26651  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
26652  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
26653  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
26654  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
26655  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
26656  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
26657  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
26658  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
26659  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
26660  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
26661  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
26662  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
26663  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
26664  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
26665  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
26666  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
26667  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
26668  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
26669  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
26670  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
26671  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
26672  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
26673  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
26674  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
26675  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
26676  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
26677  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
26678  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
26679  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
26680  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
26681  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
26682  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
26683  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
26684  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
26685  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
26686  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
26687  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
26688  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
26689  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
26690  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
26691  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
26692  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
26693  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
26694  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
26695  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
26696  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
26697  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
26698  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
26699  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
26700  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
26701  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
26702  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
26703  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
26704  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
26705  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
26706  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
26707  r1 = r1 + dr
26708  END DO
26709 
26710  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
26711  END SUBROUTINE
26712  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_1_3_exp_0 ( &
26713  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
26714  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
26715  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
26716  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
26717  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
26718  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
26719  r_pow_t, r_tmp, rr1_delta, rr2_delta
26720 
26721  REAL(kind=dp) :: c1, c2, c3
26722  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
26723  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
26724  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
26725  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
26726  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
26727  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
26728  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
26729  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1
26730 
26731 
26732  dr = lgth
26733  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
26734 
26735  s_r(:, :, :) = 0.0_dp
26736 
26737  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
26738 
26739  h_to_c_0_0 = sqrt(alpha/pi)
26740 
26741  h_to_c_0_1 = 0.0_dp
26742  h_to_c_1_1 = +2*alpha*h_to_c_0_0
26743  h_to_c_0_2 = -1*h_to_c_1_1
26744  h_to_c_1_2 = +2*alpha*h_to_c_0_1
26745  h_to_c_2_2 = +2*alpha*h_to_c_1_1
26746  h_to_c_0_3 = -1*h_to_c_1_2
26747  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
26748  h_to_c_2_3 = +2*alpha*h_to_c_1_2
26749  h_to_c_3_3 = +2*alpha*h_to_c_2_2
26750  h_to_c_0_4 = -1*h_to_c_1_3
26751  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
26752  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
26753  h_to_c_3_4 = +2*alpha*h_to_c_2_3
26754  h_to_c_4_4 = +2*alpha*h_to_c_3_3
26755  h_to_c_0_5 = -1*h_to_c_1_4
26756  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
26757  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
26758  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
26759  h_to_c_4_5 = +2*alpha*h_to_c_3_4
26760  h_to_c_5_5 = +2*alpha*h_to_c_4_4
26761  h_to_c_0_6 = -1*h_to_c_1_5
26762  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
26763  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
26764  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
26765  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
26766  h_to_c_5_6 = +2*alpha*h_to_c_4_5
26767  h_to_c_6_6 = +2*alpha*h_to_c_5_5
26768  h_to_c_0_7 = -1*h_to_c_1_6
26769  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
26770  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
26771  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
26772  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
26773  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
26774  h_to_c_6_7 = +2*alpha*h_to_c_5_6
26775  h_to_c_7_7 = +2*alpha*h_to_c_6_6
26776 
26777 
26778  rr1_delta = (ra - rb)/dr
26779 
26780  rr1_l = ceiling(-r_c(1) + rr1_delta)
26781  rr1_r = floor(r_c(1) + rr1_delta)
26782 
26783  r1 = rr1_l*dr
26784 
26785  alpha_e = zeta*zetb/(zeta + zetb)
26786 
26787  DO rr1 = rr1_l, rr1_r
26788  s_r_t_0 = 0.0_dp
26789  s_r_t2_0 = 0.0_dp
26790  s_r_t_1 = 0.0_dp
26791  s_r_t2_1 = 0.0_dp
26792  s_r_t_2 = 0.0_dp
26793  s_r_t2_2 = 0.0_dp
26794  s_r_t_3 = 0.0_dp
26795  s_r_t2_3 = 0.0_dp
26796  s_r_t_4 = 0.0_dp
26797  s_r_t2_4 = 0.0_dp
26798  s_r_t_5 = 0.0_dp
26799  s_r_t2_5 = 0.0_dp
26800  s_r_t_6 = 0.0_dp
26801  s_r_t2_6 = 0.0_dp
26802  s_r_t_7 = 0.0_dp
26803  s_r_t2_7 = 0.0_dp
26804  r_tmp = r_offset + r1*zeta/(zeta + zetb)
26805  rr2_delta = -r_tmp/dr
26806 
26807  rr2_l = ceiling(-r_c(2) + rr2_delta)
26808  rr2_r = floor(r_c(2) + rr2_delta)
26809 
26810  r = r_tmp + (rr2_l)*dr
26811 
26812 
26813  DO rr2 = rr2_l, rr2_r
26814  r_pow_t = 1.0_dp
26815  exp2_rsq = exp(-alpha*r*r)
26816  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
26817  r_pow_t = r_pow_t*r
26818  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
26819  r_pow_t = r_pow_t*r
26820  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
26821  r_pow_t = r_pow_t*r
26822  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
26823  r_pow_t = r_pow_t*r
26824  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
26825  r_pow_t = r_pow_t*r
26826  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
26827  r_pow_t = r_pow_t*r
26828  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
26829  r_pow_t = r_pow_t*r
26830  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
26831 
26832  r = r + dr
26833  END DO
26834 
26835  ! C --> H
26836  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
26837  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
26838  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
26839  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
26840  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
26841  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
26842  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
26843  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
26844  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
26845  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
26846  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
26847  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
26848  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
26849  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
26850  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
26851  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
26852  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
26853  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
26854  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
26855  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
26856  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
26857  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
26858  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
26859  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
26860  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
26861  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
26862  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
26863  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
26864  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
26865  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
26866  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
26867  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
26868  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
26869  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
26870  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
26871  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
26872 
26873  ! H --> HH
26874  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
26875 
26876  c1 = 1.0_dp/(zeta + zetb)
26877  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
26878  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
26879 
26880  e_0_1_0 = zeta*( &
26881  +c2*e_0_0_0&
26882 
26883  )
26884  e_0_0_1 = zetb*( &
26885  +c3*e_0_0_0&
26886 
26887  )
26888  e_1_1_0 = zeta*( c1*e_0_0_0 &
26889 
26890 
26891  )
26892  e_1_0_1 = zetb*( c1*e_0_0_0 &
26893 
26894 
26895  )
26896  e_0_2_0 = zeta*( &
26897  +c2*e_0_1_0&
26898  +2*e_1_1_0 &
26899  -2*e_0_0_0)
26900  e_0_1_1 = zetb*( &
26901  +c3*e_0_1_0&
26902  +2*e_1_1_0 &
26903  )
26904  e_1_2_0 = zeta*( c1*e_0_1_0 &
26905  +c2*e_1_1_0&
26906 
26907  )
26908  e_1_1_1 = zetb*( c1*e_0_1_0 &
26909  +c3*e_1_1_0&
26910 
26911  )
26912  e_2_2_0 = zeta*( c1*e_1_1_0 &
26913 
26914 
26915  )
26916  e_2_1_1 = zetb*( c1*e_1_1_0 &
26917 
26918 
26919  )
26920  e_0_3_0 = zeta*( &
26921  +c2*e_0_2_0&
26922  +2*e_1_2_0 &
26923  -4*e_0_1_0)
26924  e_0_2_1 = zetb*( &
26925  +c3*e_0_2_0&
26926  +2*e_1_2_0 &
26927  )
26928  e_1_3_0 = zeta*( c1*e_0_2_0 &
26929  +c2*e_1_2_0&
26930  +4*e_2_2_0 &
26931  -4*e_1_1_0)
26932  e_1_2_1 = zetb*( c1*e_0_2_0 &
26933  +c3*e_1_2_0&
26934  +4*e_2_2_0 &
26935  )
26936  e_2_3_0 = zeta*( c1*e_1_2_0 &
26937  +c2*e_2_2_0&
26938 
26939  )
26940  e_2_2_1 = zetb*( c1*e_1_2_0 &
26941  +c3*e_2_2_0&
26942 
26943  )
26944  e_3_3_0 = zeta*( c1*e_2_2_0 &
26945 
26946 
26947  )
26948  e_3_2_1 = zetb*( c1*e_2_2_0 &
26949 
26950 
26951  )
26952  e_0_3_1 = zetb*( &
26953  +c3*e_0_3_0&
26954  +2*e_1_3_0 &
26955  )
26956  e_1_3_1 = zetb*( c1*e_0_3_0 &
26957  +c3*e_1_3_0&
26958  +4*e_2_3_0 &
26959  )
26960  e_2_3_1 = zetb*( c1*e_1_3_0 &
26961  +c3*e_2_3_0&
26962  +6*e_3_3_0 &
26963  )
26964  e_3_3_1 = zetb*( c1*e_2_3_0 &
26965  +c3*e_3_3_0&
26966 
26967  )
26968  e_4_3_1 = zetb*( c1*e_3_3_0 &
26969 
26970 
26971  )
26972  e_0_1_1 = zeta*( &
26973  +c2*e_0_0_1&
26974  +2*e_1_0_1 &
26975  )
26976  e_1_1_1 = zeta*( c1*e_0_0_1 &
26977  +c2*e_1_0_1&
26978 
26979  )
26980  e_2_1_1 = zeta*( c1*e_1_0_1 &
26981 
26982 
26983  )
26984  e_0_2_1 = zeta*( &
26985  +c2*e_0_1_1&
26986  +2*e_1_1_1 &
26987  -2*e_0_0_1)
26988  e_1_2_1 = zeta*( c1*e_0_1_1 &
26989  +c2*e_1_1_1&
26990  +4*e_2_1_1 &
26991  -2*e_1_0_1)
26992  e_2_2_1 = zeta*( c1*e_1_1_1 &
26993  +c2*e_2_1_1&
26994 
26995  )
26996  e_3_2_1 = zeta*( c1*e_2_1_1 &
26997 
26998 
26999  )
27000  e_0_3_1 = zeta*( &
27001  +c2*e_0_2_1&
27002  +2*e_1_2_1 &
27003  -4*e_0_1_1)
27004  e_1_3_1 = zeta*( c1*e_0_2_1 &
27005  +c2*e_1_2_1&
27006  +4*e_2_2_1 &
27007  -4*e_1_1_1)
27008  e_2_3_1 = zeta*( c1*e_1_2_1 &
27009  +c2*e_2_2_1&
27010  +6*e_3_2_1 &
27011  -4*e_2_1_1)
27012  e_3_3_1 = zeta*( c1*e_2_2_1 &
27013  +c2*e_3_2_1&
27014 
27015  )
27016  e_4_3_1 = zeta*( c1*e_3_2_1 &
27017 
27018 
27019  )
27020 
27021  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
27022  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
27023  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
27024  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
27025  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
27026  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
27027  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
27028  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
27029  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
27030  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
27031  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
27032  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
27033  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
27034  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
27035  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
27036  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
27037  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
27038  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
27039  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
27040  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
27041  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
27042  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
27043  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
27044  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
27045  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
27046  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
27047  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
27048  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
27049  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
27050  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
27051  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
27052  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
27053  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
27054  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
27055  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
27056  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
27057  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
27058  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
27059  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
27060  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
27061  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
27062  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
27063  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
27064  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
27065  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
27066  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
27067  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
27068  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
27069  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
27070  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
27071  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
27072  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
27073  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
27074  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
27075  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
27076  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
27077  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
27078  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
27079  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
27080  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
27081  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
27082  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
27083  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
27084  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
27085  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
27086  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
27087  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
27088  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
27089  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
27090  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
27091  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
27092  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
27093  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
27094  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
27095  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
27096  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
27097  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
27098  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
27099  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
27100  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
27101  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
27102  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
27103  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
27104  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
27105  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
27106  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
27107  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
27108  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
27109  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
27110  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
27111  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
27112  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
27113  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
27114  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
27115  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
27116  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
27117  r1 = r1 + dr
27118  END DO
27119 
27120  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
27121  END SUBROUTINE
27122  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_1_4_exp_0 ( &
27123  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
27124  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
27125  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
27126  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
27127  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
27128  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
27129  r_pow_t, r_tmp, rr1_delta, rr2_delta
27130 
27131  REAL(kind=dp) :: c1, c2, c3
27132  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
27133  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
27134  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
27135  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
27136  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
27137  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
27138  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
27139  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
27140  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1
27141 
27142 
27143  dr = lgth
27144  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
27145 
27146  s_r(:, :, :) = 0.0_dp
27147 
27148  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
27149 
27150  h_to_c_0_0 = sqrt(alpha/pi)
27151 
27152  h_to_c_0_1 = 0.0_dp
27153  h_to_c_1_1 = +2*alpha*h_to_c_0_0
27154  h_to_c_0_2 = -1*h_to_c_1_1
27155  h_to_c_1_2 = +2*alpha*h_to_c_0_1
27156  h_to_c_2_2 = +2*alpha*h_to_c_1_1
27157  h_to_c_0_3 = -1*h_to_c_1_2
27158  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
27159  h_to_c_2_3 = +2*alpha*h_to_c_1_2
27160  h_to_c_3_3 = +2*alpha*h_to_c_2_2
27161  h_to_c_0_4 = -1*h_to_c_1_3
27162  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
27163  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
27164  h_to_c_3_4 = +2*alpha*h_to_c_2_3
27165  h_to_c_4_4 = +2*alpha*h_to_c_3_3
27166  h_to_c_0_5 = -1*h_to_c_1_4
27167  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
27168  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
27169  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
27170  h_to_c_4_5 = +2*alpha*h_to_c_3_4
27171  h_to_c_5_5 = +2*alpha*h_to_c_4_4
27172  h_to_c_0_6 = -1*h_to_c_1_5
27173  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
27174  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
27175  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
27176  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
27177  h_to_c_5_6 = +2*alpha*h_to_c_4_5
27178  h_to_c_6_6 = +2*alpha*h_to_c_5_5
27179  h_to_c_0_7 = -1*h_to_c_1_6
27180  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
27181  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
27182  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
27183  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
27184  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
27185  h_to_c_6_7 = +2*alpha*h_to_c_5_6
27186  h_to_c_7_7 = +2*alpha*h_to_c_6_6
27187  h_to_c_0_8 = -1*h_to_c_1_7
27188  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
27189  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
27190  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
27191  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
27192  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
27193  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
27194  h_to_c_7_8 = +2*alpha*h_to_c_6_7
27195  h_to_c_8_8 = +2*alpha*h_to_c_7_7
27196 
27197 
27198  rr1_delta = (ra - rb)/dr
27199 
27200  rr1_l = ceiling(-r_c(1) + rr1_delta)
27201  rr1_r = floor(r_c(1) + rr1_delta)
27202 
27203  r1 = rr1_l*dr
27204 
27205  alpha_e = zeta*zetb/(zeta + zetb)
27206 
27207  DO rr1 = rr1_l, rr1_r
27208  s_r_t_0 = 0.0_dp
27209  s_r_t2_0 = 0.0_dp
27210  s_r_t_1 = 0.0_dp
27211  s_r_t2_1 = 0.0_dp
27212  s_r_t_2 = 0.0_dp
27213  s_r_t2_2 = 0.0_dp
27214  s_r_t_3 = 0.0_dp
27215  s_r_t2_3 = 0.0_dp
27216  s_r_t_4 = 0.0_dp
27217  s_r_t2_4 = 0.0_dp
27218  s_r_t_5 = 0.0_dp
27219  s_r_t2_5 = 0.0_dp
27220  s_r_t_6 = 0.0_dp
27221  s_r_t2_6 = 0.0_dp
27222  s_r_t_7 = 0.0_dp
27223  s_r_t2_7 = 0.0_dp
27224  s_r_t_8 = 0.0_dp
27225  s_r_t2_8 = 0.0_dp
27226  r_tmp = r_offset + r1*zeta/(zeta + zetb)
27227  rr2_delta = -r_tmp/dr
27228 
27229  rr2_l = ceiling(-r_c(2) + rr2_delta)
27230  rr2_r = floor(r_c(2) + rr2_delta)
27231 
27232  r = r_tmp + (rr2_l)*dr
27233 
27234 
27235  DO rr2 = rr2_l, rr2_r
27236  r_pow_t = 1.0_dp
27237  exp2_rsq = exp(-alpha*r*r)
27238  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
27239  r_pow_t = r_pow_t*r
27240  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
27241  r_pow_t = r_pow_t*r
27242  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
27243  r_pow_t = r_pow_t*r
27244  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
27245  r_pow_t = r_pow_t*r
27246  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
27247  r_pow_t = r_pow_t*r
27248  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
27249  r_pow_t = r_pow_t*r
27250  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
27251  r_pow_t = r_pow_t*r
27252  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
27253  r_pow_t = r_pow_t*r
27254  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
27255 
27256  r = r + dr
27257  END DO
27258 
27259  ! C --> H
27260  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
27261  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
27262  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
27263  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
27264  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
27265  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
27266  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
27267  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
27268  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
27269  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
27270  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
27271  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
27272  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
27273  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
27274  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
27275  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
27276  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
27277  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
27278  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
27279  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
27280  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
27281  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
27282  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
27283  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
27284  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
27285  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
27286  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
27287  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
27288  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
27289  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
27290  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
27291  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
27292  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
27293  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
27294  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
27295  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
27296  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
27297  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
27298  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
27299  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
27300  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
27301  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
27302  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
27303  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
27304  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
27305 
27306  ! H --> HH
27307  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
27308 
27309  c1 = 1.0_dp/(zeta + zetb)
27310  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
27311  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
27312 
27313  e_0_1_0 = zeta*( &
27314  +c2*e_0_0_0&
27315 
27316  )
27317  e_0_0_1 = zetb*( &
27318  +c3*e_0_0_0&
27319 
27320  )
27321  e_1_1_0 = zeta*( c1*e_0_0_0 &
27322 
27323 
27324  )
27325  e_1_0_1 = zetb*( c1*e_0_0_0 &
27326 
27327 
27328  )
27329  e_0_2_0 = zeta*( &
27330  +c2*e_0_1_0&
27331  +2*e_1_1_0 &
27332  -2*e_0_0_0)
27333  e_0_1_1 = zetb*( &
27334  +c3*e_0_1_0&
27335  +2*e_1_1_0 &
27336  )
27337  e_1_2_0 = zeta*( c1*e_0_1_0 &
27338  +c2*e_1_1_0&
27339 
27340  )
27341  e_1_1_1 = zetb*( c1*e_0_1_0 &
27342  +c3*e_1_1_0&
27343 
27344  )
27345  e_2_2_0 = zeta*( c1*e_1_1_0 &
27346 
27347 
27348  )
27349  e_2_1_1 = zetb*( c1*e_1_1_0 &
27350 
27351 
27352  )
27353  e_0_3_0 = zeta*( &
27354  +c2*e_0_2_0&
27355  +2*e_1_2_0 &
27356  -4*e_0_1_0)
27357  e_0_2_1 = zetb*( &
27358  +c3*e_0_2_0&
27359  +2*e_1_2_0 &
27360  )
27361  e_1_3_0 = zeta*( c1*e_0_2_0 &
27362  +c2*e_1_2_0&
27363  +4*e_2_2_0 &
27364  -4*e_1_1_0)
27365  e_1_2_1 = zetb*( c1*e_0_2_0 &
27366  +c3*e_1_2_0&
27367  +4*e_2_2_0 &
27368  )
27369  e_2_3_0 = zeta*( c1*e_1_2_0 &
27370  +c2*e_2_2_0&
27371 
27372  )
27373  e_2_2_1 = zetb*( c1*e_1_2_0 &
27374  +c3*e_2_2_0&
27375 
27376  )
27377  e_3_3_0 = zeta*( c1*e_2_2_0 &
27378 
27379 
27380  )
27381  e_3_2_1 = zetb*( c1*e_2_2_0 &
27382 
27383 
27384  )
27385  e_0_3_1 = zetb*( &
27386  +c3*e_0_3_0&
27387  +2*e_1_3_0 &
27388  )
27389  e_1_3_1 = zetb*( c1*e_0_3_0 &
27390  +c3*e_1_3_0&
27391  +4*e_2_3_0 &
27392  )
27393  e_2_3_1 = zetb*( c1*e_1_3_0 &
27394  +c3*e_2_3_0&
27395  +6*e_3_3_0 &
27396  )
27397  e_3_3_1 = zetb*( c1*e_2_3_0 &
27398  +c3*e_3_3_0&
27399 
27400  )
27401  e_4_3_1 = zetb*( c1*e_3_3_0 &
27402 
27403 
27404  )
27405  e_0_1_1 = zeta*( &
27406  +c2*e_0_0_1&
27407  +2*e_1_0_1 &
27408  )
27409  e_1_1_1 = zeta*( c1*e_0_0_1 &
27410  +c2*e_1_0_1&
27411 
27412  )
27413  e_2_1_1 = zeta*( c1*e_1_0_1 &
27414 
27415 
27416  )
27417  e_0_2_1 = zeta*( &
27418  +c2*e_0_1_1&
27419  +2*e_1_1_1 &
27420  -2*e_0_0_1)
27421  e_1_2_1 = zeta*( c1*e_0_1_1 &
27422  +c2*e_1_1_1&
27423  +4*e_2_1_1 &
27424  -2*e_1_0_1)
27425  e_2_2_1 = zeta*( c1*e_1_1_1 &
27426  +c2*e_2_1_1&
27427 
27428  )
27429  e_3_2_1 = zeta*( c1*e_2_1_1 &
27430 
27431 
27432  )
27433  e_0_3_1 = zeta*( &
27434  +c2*e_0_2_1&
27435  +2*e_1_2_1 &
27436  -4*e_0_1_1)
27437  e_1_3_1 = zeta*( c1*e_0_2_1 &
27438  +c2*e_1_2_1&
27439  +4*e_2_2_1 &
27440  -4*e_1_1_1)
27441  e_2_3_1 = zeta*( c1*e_1_2_1 &
27442  +c2*e_2_2_1&
27443  +6*e_3_2_1 &
27444  -4*e_2_1_1)
27445  e_3_3_1 = zeta*( c1*e_2_2_1 &
27446  +c2*e_3_2_1&
27447 
27448  )
27449  e_4_3_1 = zeta*( c1*e_3_2_1 &
27450 
27451 
27452  )
27453 
27454  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
27455  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
27456  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
27457  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
27458  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
27459  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
27460  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
27461  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
27462  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
27463  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
27464  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
27465  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
27466  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
27467  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
27468  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
27469  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
27470  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
27471  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
27472  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
27473  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
27474  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
27475  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
27476  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
27477  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
27478  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
27479  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
27480  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
27481  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
27482  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
27483  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
27484  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
27485  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
27486  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
27487  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
27488  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
27489  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
27490  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
27491  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
27492  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
27493  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
27494  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
27495  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
27496  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
27497  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
27498  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
27499  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
27500  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
27501  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
27502  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
27503  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
27504  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
27505  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
27506  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
27507  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
27508  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
27509  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
27510  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
27511  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
27512  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
27513  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
27514  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
27515  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
27516  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
27517  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
27518  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
27519  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
27520  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
27521  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
27522  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
27523  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
27524  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
27525  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
27526  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
27527  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
27528  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
27529  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
27530  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
27531  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
27532  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
27533  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
27534  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
27535  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
27536  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
27537  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
27538  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
27539  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
27540  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
27541  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
27542  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
27543  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
27544  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
27545  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
27546  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
27547  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
27548  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
27549  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
27550  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
27551  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
27552  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
27553  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
27554  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
27555  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
27556  s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
27557  s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
27558  s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
27559  s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
27560  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
27561  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
27562  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
27563  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
27564  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
27565  s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
27566  s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
27567  s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
27568  s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
27569  s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
27570  s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
27571  s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
27572  s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
27573  s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
27574  r1 = r1 + dr
27575  END DO
27576 
27577  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
27578  END SUBROUTINE
27579  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_2_0_exp_0 ( &
27580  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
27581  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
27582  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
27583  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
27584  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
27585  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
27586  r_pow_t, r_tmp, rr1_delta, rr2_delta
27587 
27588  REAL(kind=dp) :: c1, c2, c3
27589  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
27590  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
27591  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
27592  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
27593  & h_to_c_4_5, h_to_c_5_5
27594  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
27595  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
27596  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
27597  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2
27598 
27599 
27600  dr = lgth
27601  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
27602 
27603  s_r(:, :, :) = 0.0_dp
27604 
27605  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
27606 
27607  h_to_c_0_0 = sqrt(alpha/pi)
27608 
27609  h_to_c_0_1 = 0.0_dp
27610  h_to_c_1_1 = +2*alpha*h_to_c_0_0
27611  h_to_c_0_2 = -1*h_to_c_1_1
27612  h_to_c_1_2 = +2*alpha*h_to_c_0_1
27613  h_to_c_2_2 = +2*alpha*h_to_c_1_1
27614  h_to_c_0_3 = -1*h_to_c_1_2
27615  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
27616  h_to_c_2_3 = +2*alpha*h_to_c_1_2
27617  h_to_c_3_3 = +2*alpha*h_to_c_2_2
27618  h_to_c_0_4 = -1*h_to_c_1_3
27619  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
27620  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
27621  h_to_c_3_4 = +2*alpha*h_to_c_2_3
27622  h_to_c_4_4 = +2*alpha*h_to_c_3_3
27623  h_to_c_0_5 = -1*h_to_c_1_4
27624  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
27625  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
27626  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
27627  h_to_c_4_5 = +2*alpha*h_to_c_3_4
27628  h_to_c_5_5 = +2*alpha*h_to_c_4_4
27629 
27630 
27631  rr1_delta = (ra - rb)/dr
27632 
27633  rr1_l = ceiling(-r_c(1) + rr1_delta)
27634  rr1_r = floor(r_c(1) + rr1_delta)
27635 
27636  r1 = rr1_l*dr
27637 
27638  alpha_e = zeta*zetb/(zeta + zetb)
27639 
27640  DO rr1 = rr1_l, rr1_r
27641  s_r_t_0 = 0.0_dp
27642  s_r_t2_0 = 0.0_dp
27643  s_r_t_1 = 0.0_dp
27644  s_r_t2_1 = 0.0_dp
27645  s_r_t_2 = 0.0_dp
27646  s_r_t2_2 = 0.0_dp
27647  s_r_t_3 = 0.0_dp
27648  s_r_t2_3 = 0.0_dp
27649  s_r_t_4 = 0.0_dp
27650  s_r_t2_4 = 0.0_dp
27651  s_r_t_5 = 0.0_dp
27652  s_r_t2_5 = 0.0_dp
27653  r_tmp = r_offset + r1*zeta/(zeta + zetb)
27654  rr2_delta = -r_tmp/dr
27655 
27656  rr2_l = ceiling(-r_c(2) + rr2_delta)
27657  rr2_r = floor(r_c(2) + rr2_delta)
27658 
27659  r = r_tmp + (rr2_l)*dr
27660 
27661 
27662  DO rr2 = rr2_l, rr2_r
27663  r_pow_t = 1.0_dp
27664  exp2_rsq = exp(-alpha*r*r)
27665  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
27666  r_pow_t = r_pow_t*r
27667  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
27668  r_pow_t = r_pow_t*r
27669  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
27670  r_pow_t = r_pow_t*r
27671  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
27672  r_pow_t = r_pow_t*r
27673  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
27674  r_pow_t = r_pow_t*r
27675  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
27676 
27677  r = r + dr
27678  END DO
27679 
27680  ! C --> H
27681  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
27682  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
27683  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
27684  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
27685  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
27686  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
27687  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
27688  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
27689  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
27690  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
27691  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
27692  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
27693  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
27694  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
27695  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
27696  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
27697  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
27698  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
27699  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
27700  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
27701  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
27702 
27703  ! H --> HH
27704  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
27705 
27706  c1 = 1.0_dp/(zeta + zetb)
27707  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
27708  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
27709 
27710  e_0_1_0 = zeta*( &
27711  +c2*e_0_0_0&
27712 
27713  )
27714  e_0_0_1 = zetb*( &
27715  +c3*e_0_0_0&
27716 
27717  )
27718  e_1_1_0 = zeta*( c1*e_0_0_0 &
27719 
27720 
27721  )
27722  e_1_0_1 = zetb*( c1*e_0_0_0 &
27723 
27724 
27725  )
27726  e_0_2_0 = zeta*( &
27727  +c2*e_0_1_0&
27728  +2*e_1_1_0 &
27729  -2*e_0_0_0)
27730  e_0_1_1 = zetb*( &
27731  +c3*e_0_1_0&
27732  +2*e_1_1_0 &
27733  )
27734  e_1_2_0 = zeta*( c1*e_0_1_0 &
27735  +c2*e_1_1_0&
27736 
27737  )
27738  e_1_1_1 = zetb*( c1*e_0_1_0 &
27739  +c3*e_1_1_0&
27740 
27741  )
27742  e_2_2_0 = zeta*( c1*e_1_1_0 &
27743 
27744 
27745  )
27746  e_2_1_1 = zetb*( c1*e_1_1_0 &
27747 
27748 
27749  )
27750  e_0_3_0 = zeta*( &
27751  +c2*e_0_2_0&
27752  +2*e_1_2_0 &
27753  -4*e_0_1_0)
27754  e_0_2_1 = zetb*( &
27755  +c3*e_0_2_0&
27756  +2*e_1_2_0 &
27757  )
27758  e_1_3_0 = zeta*( c1*e_0_2_0 &
27759  +c2*e_1_2_0&
27760  +4*e_2_2_0 &
27761  -4*e_1_1_0)
27762  e_1_2_1 = zetb*( c1*e_0_2_0 &
27763  +c3*e_1_2_0&
27764  +4*e_2_2_0 &
27765  )
27766  e_2_3_0 = zeta*( c1*e_1_2_0 &
27767  +c2*e_2_2_0&
27768 
27769  )
27770  e_2_2_1 = zetb*( c1*e_1_2_0 &
27771  +c3*e_2_2_0&
27772 
27773  )
27774  e_3_3_0 = zeta*( c1*e_2_2_0 &
27775 
27776 
27777  )
27778  e_3_2_1 = zetb*( c1*e_2_2_0 &
27779 
27780 
27781  )
27782  e_0_3_1 = zetb*( &
27783  +c3*e_0_3_0&
27784  +2*e_1_3_0 &
27785  )
27786  e_1_3_1 = zetb*( c1*e_0_3_0 &
27787  +c3*e_1_3_0&
27788  +4*e_2_3_0 &
27789  )
27790  e_2_3_1 = zetb*( c1*e_1_3_0 &
27791  +c3*e_2_3_0&
27792  +6*e_3_3_0 &
27793  )
27794  e_3_3_1 = zetb*( c1*e_2_3_0 &
27795  +c3*e_3_3_0&
27796 
27797  )
27798  e_4_3_1 = zetb*( c1*e_3_3_0 &
27799 
27800 
27801  )
27802  e_0_1_1 = zeta*( &
27803  +c2*e_0_0_1&
27804  +2*e_1_0_1 &
27805  )
27806  e_0_0_2 = zetb*( &
27807  +c3*e_0_0_1&
27808  +2*e_1_0_1 &
27809  -2*e_0_0_0)
27810  e_1_1_1 = zeta*( c1*e_0_0_1 &
27811  +c2*e_1_0_1&
27812 
27813  )
27814  e_1_0_2 = zetb*( c1*e_0_0_1 &
27815  +c3*e_1_0_1&
27816 
27817  )
27818  e_2_1_1 = zeta*( c1*e_1_0_1 &
27819 
27820 
27821  )
27822  e_2_0_2 = zetb*( c1*e_1_0_1 &
27823 
27824 
27825  )
27826  e_0_2_1 = zeta*( &
27827  +c2*e_0_1_1&
27828  +2*e_1_1_1 &
27829  -2*e_0_0_1)
27830  e_0_1_2 = zetb*( &
27831  +c3*e_0_1_1&
27832  +2*e_1_1_1 &
27833  -2*e_0_1_0)
27834  e_1_2_1 = zeta*( c1*e_0_1_1 &
27835  +c2*e_1_1_1&
27836  +4*e_2_1_1 &
27837  -2*e_1_0_1)
27838  e_1_1_2 = zetb*( c1*e_0_1_1 &
27839  +c3*e_1_1_1&
27840  +4*e_2_1_1 &
27841  -2*e_1_1_0)
27842  e_2_2_1 = zeta*( c1*e_1_1_1 &
27843  +c2*e_2_1_1&
27844 
27845  )
27846  e_2_1_2 = zetb*( c1*e_1_1_1 &
27847  +c3*e_2_1_1&
27848 
27849  )
27850  e_3_2_1 = zeta*( c1*e_2_1_1 &
27851 
27852 
27853  )
27854  e_3_1_2 = zetb*( c1*e_2_1_1 &
27855 
27856 
27857  )
27858  e_0_3_1 = zeta*( &
27859  +c2*e_0_2_1&
27860  +2*e_1_2_1 &
27861  -4*e_0_1_1)
27862  e_0_2_2 = zetb*( &
27863  +c3*e_0_2_1&
27864  +2*e_1_2_1 &
27865  -2*e_0_2_0)
27866  e_1_3_1 = zeta*( c1*e_0_2_1 &
27867  +c2*e_1_2_1&
27868  +4*e_2_2_1 &
27869  -4*e_1_1_1)
27870  e_1_2_2 = zetb*( c1*e_0_2_1 &
27871  +c3*e_1_2_1&
27872  +4*e_2_2_1 &
27873  -2*e_1_2_0)
27874  e_2_3_1 = zeta*( c1*e_1_2_1 &
27875  +c2*e_2_2_1&
27876  +6*e_3_2_1 &
27877  -4*e_2_1_1)
27878  e_2_2_2 = zetb*( c1*e_1_2_1 &
27879  +c3*e_2_2_1&
27880  +6*e_3_2_1 &
27881  -2*e_2_2_0)
27882  e_3_3_1 = zeta*( c1*e_2_2_1 &
27883  +c2*e_3_2_1&
27884 
27885  )
27886  e_3_2_2 = zetb*( c1*e_2_2_1 &
27887  +c3*e_3_2_1&
27888 
27889  )
27890  e_4_3_1 = zeta*( c1*e_3_2_1 &
27891 
27892 
27893  )
27894  e_4_2_2 = zetb*( c1*e_3_2_1 &
27895 
27896 
27897  )
27898  e_0_3_2 = zetb*( &
27899  +c3*e_0_3_1&
27900  +2*e_1_3_1 &
27901  -2*e_0_3_0)
27902  e_1_3_2 = zetb*( c1*e_0_3_1 &
27903  +c3*e_1_3_1&
27904  +4*e_2_3_1 &
27905  -2*e_1_3_0)
27906  e_2_3_2 = zetb*( c1*e_1_3_1 &
27907  +c3*e_2_3_1&
27908  +6*e_3_3_1 &
27909  -2*e_2_3_0)
27910  e_3_3_2 = zetb*( c1*e_2_3_1 &
27911  +c3*e_3_3_1&
27912  +8*e_4_3_1 &
27913  -2*e_3_3_0)
27914  e_4_3_2 = zetb*( c1*e_3_3_1 &
27915  +c3*e_4_3_1&
27916 
27917  )
27918  e_5_3_2 = zetb*( c1*e_4_3_1 &
27919 
27920 
27921  )
27922  e_0_1_2 = zeta*( &
27923  +c2*e_0_0_2&
27924  +2*e_1_0_2 &
27925  )
27926  e_1_1_2 = zeta*( c1*e_0_0_2 &
27927  +c2*e_1_0_2&
27928  +4*e_2_0_2 &
27929  )
27930  e_2_1_2 = zeta*( c1*e_1_0_2 &
27931  +c2*e_2_0_2&
27932 
27933  )
27934  e_3_1_2 = zeta*( c1*e_2_0_2 &
27935 
27936 
27937  )
27938  e_0_2_2 = zeta*( &
27939  +c2*e_0_1_2&
27940  +2*e_1_1_2 &
27941  -2*e_0_0_2)
27942  e_1_2_2 = zeta*( c1*e_0_1_2 &
27943  +c2*e_1_1_2&
27944  +4*e_2_1_2 &
27945  -2*e_1_0_2)
27946  e_2_2_2 = zeta*( c1*e_1_1_2 &
27947  +c2*e_2_1_2&
27948  +6*e_3_1_2 &
27949  -2*e_2_0_2)
27950  e_3_2_2 = zeta*( c1*e_2_1_2 &
27951  +c2*e_3_1_2&
27952 
27953  )
27954  e_4_2_2 = zeta*( c1*e_3_1_2 &
27955 
27956 
27957  )
27958  e_0_3_2 = zeta*( &
27959  +c2*e_0_2_2&
27960  +2*e_1_2_2 &
27961  -4*e_0_1_2)
27962  e_1_3_2 = zeta*( c1*e_0_2_2 &
27963  +c2*e_1_2_2&
27964  +4*e_2_2_2 &
27965  -4*e_1_1_2)
27966  e_2_3_2 = zeta*( c1*e_1_2_2 &
27967  +c2*e_2_2_2&
27968  +6*e_3_2_2 &
27969  -4*e_2_1_2)
27970  e_3_3_2 = zeta*( c1*e_2_2_2 &
27971  +c2*e_3_2_2&
27972  +8*e_4_2_2 &
27973  -4*e_3_1_2)
27974  e_4_3_2 = zeta*( c1*e_3_2_2 &
27975  +c2*e_4_2_2&
27976 
27977  )
27978  e_5_3_2 = zeta*( c1*e_4_2_2 &
27979 
27980 
27981  )
27982 
27983  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
27984  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
27985  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
27986  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
27987  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
27988  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
27989  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
27990  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
27991  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
27992  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
27993  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
27994  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
27995  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
27996  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
27997  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
27998  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
27999  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
28000  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
28001  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
28002  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
28003  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
28004  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
28005  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
28006  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
28007  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
28008  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
28009  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
28010  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
28011  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
28012  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
28013  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
28014  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
28015  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
28016  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
28017  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
28018  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
28019  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
28020  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
28021  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
28022  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
28023  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
28024  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
28025  r1 = r1 + dr
28026  END DO
28027 
28028  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
28029  END SUBROUTINE
28030  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_2_1_exp_0 ( &
28031  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
28032  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
28033  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
28034  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
28035  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
28036  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
28037  r_pow_t, r_tmp, rr1_delta, rr2_delta
28038 
28039  REAL(kind=dp) :: c1, c2, c3
28040  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
28041  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
28042  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
28043  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
28044  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
28045  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
28046  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
28047  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
28048  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2
28049 
28050 
28051  dr = lgth
28052  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
28053 
28054  s_r(:, :, :) = 0.0_dp
28055 
28056  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
28057 
28058  h_to_c_0_0 = sqrt(alpha/pi)
28059 
28060  h_to_c_0_1 = 0.0_dp
28061  h_to_c_1_1 = +2*alpha*h_to_c_0_0
28062  h_to_c_0_2 = -1*h_to_c_1_1
28063  h_to_c_1_2 = +2*alpha*h_to_c_0_1
28064  h_to_c_2_2 = +2*alpha*h_to_c_1_1
28065  h_to_c_0_3 = -1*h_to_c_1_2
28066  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
28067  h_to_c_2_3 = +2*alpha*h_to_c_1_2
28068  h_to_c_3_3 = +2*alpha*h_to_c_2_2
28069  h_to_c_0_4 = -1*h_to_c_1_3
28070  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
28071  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
28072  h_to_c_3_4 = +2*alpha*h_to_c_2_3
28073  h_to_c_4_4 = +2*alpha*h_to_c_3_3
28074  h_to_c_0_5 = -1*h_to_c_1_4
28075  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
28076  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
28077  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
28078  h_to_c_4_5 = +2*alpha*h_to_c_3_4
28079  h_to_c_5_5 = +2*alpha*h_to_c_4_4
28080  h_to_c_0_6 = -1*h_to_c_1_5
28081  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
28082  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
28083  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
28084  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
28085  h_to_c_5_6 = +2*alpha*h_to_c_4_5
28086  h_to_c_6_6 = +2*alpha*h_to_c_5_5
28087 
28088 
28089  rr1_delta = (ra - rb)/dr
28090 
28091  rr1_l = ceiling(-r_c(1) + rr1_delta)
28092  rr1_r = floor(r_c(1) + rr1_delta)
28093 
28094  r1 = rr1_l*dr
28095 
28096  alpha_e = zeta*zetb/(zeta + zetb)
28097 
28098  DO rr1 = rr1_l, rr1_r
28099  s_r_t_0 = 0.0_dp
28100  s_r_t2_0 = 0.0_dp
28101  s_r_t_1 = 0.0_dp
28102  s_r_t2_1 = 0.0_dp
28103  s_r_t_2 = 0.0_dp
28104  s_r_t2_2 = 0.0_dp
28105  s_r_t_3 = 0.0_dp
28106  s_r_t2_3 = 0.0_dp
28107  s_r_t_4 = 0.0_dp
28108  s_r_t2_4 = 0.0_dp
28109  s_r_t_5 = 0.0_dp
28110  s_r_t2_5 = 0.0_dp
28111  s_r_t_6 = 0.0_dp
28112  s_r_t2_6 = 0.0_dp
28113  r_tmp = r_offset + r1*zeta/(zeta + zetb)
28114  rr2_delta = -r_tmp/dr
28115 
28116  rr2_l = ceiling(-r_c(2) + rr2_delta)
28117  rr2_r = floor(r_c(2) + rr2_delta)
28118 
28119  r = r_tmp + (rr2_l)*dr
28120 
28121 
28122  DO rr2 = rr2_l, rr2_r
28123  r_pow_t = 1.0_dp
28124  exp2_rsq = exp(-alpha*r*r)
28125  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
28126  r_pow_t = r_pow_t*r
28127  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
28128  r_pow_t = r_pow_t*r
28129  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
28130  r_pow_t = r_pow_t*r
28131  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
28132  r_pow_t = r_pow_t*r
28133  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
28134  r_pow_t = r_pow_t*r
28135  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
28136  r_pow_t = r_pow_t*r
28137  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
28138 
28139  r = r + dr
28140  END DO
28141 
28142  ! C --> H
28143  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
28144  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
28145  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
28146  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
28147  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
28148  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
28149  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
28150  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
28151  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
28152  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
28153  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
28154  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
28155  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
28156  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
28157  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
28158  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
28159  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
28160  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
28161  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
28162  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
28163  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
28164  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
28165  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
28166  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
28167  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
28168  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
28169  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
28170  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
28171 
28172  ! H --> HH
28173  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
28174 
28175  c1 = 1.0_dp/(zeta + zetb)
28176  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
28177  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
28178 
28179  e_0_1_0 = zeta*( &
28180  +c2*e_0_0_0&
28181 
28182  )
28183  e_0_0_1 = zetb*( &
28184  +c3*e_0_0_0&
28185 
28186  )
28187  e_1_1_0 = zeta*( c1*e_0_0_0 &
28188 
28189 
28190  )
28191  e_1_0_1 = zetb*( c1*e_0_0_0 &
28192 
28193 
28194  )
28195  e_0_2_0 = zeta*( &
28196  +c2*e_0_1_0&
28197  +2*e_1_1_0 &
28198  -2*e_0_0_0)
28199  e_0_1_1 = zetb*( &
28200  +c3*e_0_1_0&
28201  +2*e_1_1_0 &
28202  )
28203  e_1_2_0 = zeta*( c1*e_0_1_0 &
28204  +c2*e_1_1_0&
28205 
28206  )
28207  e_1_1_1 = zetb*( c1*e_0_1_0 &
28208  +c3*e_1_1_0&
28209 
28210  )
28211  e_2_2_0 = zeta*( c1*e_1_1_0 &
28212 
28213 
28214  )
28215  e_2_1_1 = zetb*( c1*e_1_1_0 &
28216 
28217 
28218  )
28219  e_0_3_0 = zeta*( &
28220  +c2*e_0_2_0&
28221  +2*e_1_2_0 &
28222  -4*e_0_1_0)
28223  e_0_2_1 = zetb*( &
28224  +c3*e_0_2_0&
28225  +2*e_1_2_0 &
28226  )
28227  e_1_3_0 = zeta*( c1*e_0_2_0 &
28228  +c2*e_1_2_0&
28229  +4*e_2_2_0 &
28230  -4*e_1_1_0)
28231  e_1_2_1 = zetb*( c1*e_0_2_0 &
28232  +c3*e_1_2_0&
28233  +4*e_2_2_0 &
28234  )
28235  e_2_3_0 = zeta*( c1*e_1_2_0 &
28236  +c2*e_2_2_0&
28237 
28238  )
28239  e_2_2_1 = zetb*( c1*e_1_2_0 &
28240  +c3*e_2_2_0&
28241 
28242  )
28243  e_3_3_0 = zeta*( c1*e_2_2_0 &
28244 
28245 
28246  )
28247  e_3_2_1 = zetb*( c1*e_2_2_0 &
28248 
28249 
28250  )
28251  e_0_3_1 = zetb*( &
28252  +c3*e_0_3_0&
28253  +2*e_1_3_0 &
28254  )
28255  e_1_3_1 = zetb*( c1*e_0_3_0 &
28256  +c3*e_1_3_0&
28257  +4*e_2_3_0 &
28258  )
28259  e_2_3_1 = zetb*( c1*e_1_3_0 &
28260  +c3*e_2_3_0&
28261  +6*e_3_3_0 &
28262  )
28263  e_3_3_1 = zetb*( c1*e_2_3_0 &
28264  +c3*e_3_3_0&
28265 
28266  )
28267  e_4_3_1 = zetb*( c1*e_3_3_0 &
28268 
28269 
28270  )
28271  e_0_1_1 = zeta*( &
28272  +c2*e_0_0_1&
28273  +2*e_1_0_1 &
28274  )
28275  e_0_0_2 = zetb*( &
28276  +c3*e_0_0_1&
28277  +2*e_1_0_1 &
28278  -2*e_0_0_0)
28279  e_1_1_1 = zeta*( c1*e_0_0_1 &
28280  +c2*e_1_0_1&
28281 
28282  )
28283  e_1_0_2 = zetb*( c1*e_0_0_1 &
28284  +c3*e_1_0_1&
28285 
28286  )
28287  e_2_1_1 = zeta*( c1*e_1_0_1 &
28288 
28289 
28290  )
28291  e_2_0_2 = zetb*( c1*e_1_0_1 &
28292 
28293 
28294  )
28295  e_0_2_1 = zeta*( &
28296  +c2*e_0_1_1&
28297  +2*e_1_1_1 &
28298  -2*e_0_0_1)
28299  e_0_1_2 = zetb*( &
28300  +c3*e_0_1_1&
28301  +2*e_1_1_1 &
28302  -2*e_0_1_0)
28303  e_1_2_1 = zeta*( c1*e_0_1_1 &
28304  +c2*e_1_1_1&
28305  +4*e_2_1_1 &
28306  -2*e_1_0_1)
28307  e_1_1_2 = zetb*( c1*e_0_1_1 &
28308  +c3*e_1_1_1&
28309  +4*e_2_1_1 &
28310  -2*e_1_1_0)
28311  e_2_2_1 = zeta*( c1*e_1_1_1 &
28312  +c2*e_2_1_1&
28313 
28314  )
28315  e_2_1_2 = zetb*( c1*e_1_1_1 &
28316  +c3*e_2_1_1&
28317 
28318  )
28319  e_3_2_1 = zeta*( c1*e_2_1_1 &
28320 
28321 
28322  )
28323  e_3_1_2 = zetb*( c1*e_2_1_1 &
28324 
28325 
28326  )
28327  e_0_3_1 = zeta*( &
28328  +c2*e_0_2_1&
28329  +2*e_1_2_1 &
28330  -4*e_0_1_1)
28331  e_0_2_2 = zetb*( &
28332  +c3*e_0_2_1&
28333  +2*e_1_2_1 &
28334  -2*e_0_2_0)
28335  e_1_3_1 = zeta*( c1*e_0_2_1 &
28336  +c2*e_1_2_1&
28337  +4*e_2_2_1 &
28338  -4*e_1_1_1)
28339  e_1_2_2 = zetb*( c1*e_0_2_1 &
28340  +c3*e_1_2_1&
28341  +4*e_2_2_1 &
28342  -2*e_1_2_0)
28343  e_2_3_1 = zeta*( c1*e_1_2_1 &
28344  +c2*e_2_2_1&
28345  +6*e_3_2_1 &
28346  -4*e_2_1_1)
28347  e_2_2_2 = zetb*( c1*e_1_2_1 &
28348  +c3*e_2_2_1&
28349  +6*e_3_2_1 &
28350  -2*e_2_2_0)
28351  e_3_3_1 = zeta*( c1*e_2_2_1 &
28352  +c2*e_3_2_1&
28353 
28354  )
28355  e_3_2_2 = zetb*( c1*e_2_2_1 &
28356  +c3*e_3_2_1&
28357 
28358  )
28359  e_4_3_1 = zeta*( c1*e_3_2_1 &
28360 
28361 
28362  )
28363  e_4_2_2 = zetb*( c1*e_3_2_1 &
28364 
28365 
28366  )
28367  e_0_3_2 = zetb*( &
28368  +c3*e_0_3_1&
28369  +2*e_1_3_1 &
28370  -2*e_0_3_0)
28371  e_1_3_2 = zetb*( c1*e_0_3_1 &
28372  +c3*e_1_3_1&
28373  +4*e_2_3_1 &
28374  -2*e_1_3_0)
28375  e_2_3_2 = zetb*( c1*e_1_3_1 &
28376  +c3*e_2_3_1&
28377  +6*e_3_3_1 &
28378  -2*e_2_3_0)
28379  e_3_3_2 = zetb*( c1*e_2_3_1 &
28380  +c3*e_3_3_1&
28381  +8*e_4_3_1 &
28382  -2*e_3_3_0)
28383  e_4_3_2 = zetb*( c1*e_3_3_1 &
28384  +c3*e_4_3_1&
28385 
28386  )
28387  e_5_3_2 = zetb*( c1*e_4_3_1 &
28388 
28389 
28390  )
28391  e_0_1_2 = zeta*( &
28392  +c2*e_0_0_2&
28393  +2*e_1_0_2 &
28394  )
28395  e_1_1_2 = zeta*( c1*e_0_0_2 &
28396  +c2*e_1_0_2&
28397  +4*e_2_0_2 &
28398  )
28399  e_2_1_2 = zeta*( c1*e_1_0_2 &
28400  +c2*e_2_0_2&
28401 
28402  )
28403  e_3_1_2 = zeta*( c1*e_2_0_2 &
28404 
28405 
28406  )
28407  e_0_2_2 = zeta*( &
28408  +c2*e_0_1_2&
28409  +2*e_1_1_2 &
28410  -2*e_0_0_2)
28411  e_1_2_2 = zeta*( c1*e_0_1_2 &
28412  +c2*e_1_1_2&
28413  +4*e_2_1_2 &
28414  -2*e_1_0_2)
28415  e_2_2_2 = zeta*( c1*e_1_1_2 &
28416  +c2*e_2_1_2&
28417  +6*e_3_1_2 &
28418  -2*e_2_0_2)
28419  e_3_2_2 = zeta*( c1*e_2_1_2 &
28420  +c2*e_3_1_2&
28421 
28422  )
28423  e_4_2_2 = zeta*( c1*e_3_1_2 &
28424 
28425 
28426  )
28427  e_0_3_2 = zeta*( &
28428  +c2*e_0_2_2&
28429  +2*e_1_2_2 &
28430  -4*e_0_1_2)
28431  e_1_3_2 = zeta*( c1*e_0_2_2 &
28432  +c2*e_1_2_2&
28433  +4*e_2_2_2 &
28434  -4*e_1_1_2)
28435  e_2_3_2 = zeta*( c1*e_1_2_2 &
28436  +c2*e_2_2_2&
28437  +6*e_3_2_2 &
28438  -4*e_2_1_2)
28439  e_3_3_2 = zeta*( c1*e_2_2_2 &
28440  +c2*e_3_2_2&
28441  +8*e_4_2_2 &
28442  -4*e_3_1_2)
28443  e_4_3_2 = zeta*( c1*e_3_2_2 &
28444  +c2*e_4_2_2&
28445 
28446  )
28447  e_5_3_2 = zeta*( c1*e_4_2_2 &
28448 
28449 
28450  )
28451 
28452  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
28453  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
28454  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
28455  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
28456  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
28457  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
28458  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
28459  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
28460  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
28461  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
28462  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
28463  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
28464  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
28465  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
28466  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
28467  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
28468  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
28469  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
28470  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
28471  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
28472  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
28473  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
28474  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
28475  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
28476  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
28477  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
28478  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
28479  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
28480  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
28481  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
28482  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
28483  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
28484  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
28485  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
28486  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
28487  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
28488  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
28489  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
28490  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
28491  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
28492  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
28493  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
28494  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
28495  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
28496  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
28497  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
28498  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
28499  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
28500  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
28501  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
28502  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
28503  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
28504  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
28505  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
28506  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
28507  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
28508  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
28509  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
28510  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
28511  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
28512  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
28513  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
28514  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
28515  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
28516  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
28517  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
28518  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
28519  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
28520  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
28521  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
28522  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
28523  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
28524  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
28525  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
28526  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
28527  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
28528  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
28529  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
28530  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
28531  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
28532  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
28533  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
28534  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
28535  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
28536  r1 = r1 + dr
28537  END DO
28538 
28539  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
28540  END SUBROUTINE
28541  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_2_2_exp_0 ( &
28542  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
28543  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
28544  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
28545  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
28546  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
28547  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
28548  r_pow_t, r_tmp, rr1_delta, rr2_delta
28549 
28550  REAL(kind=dp) :: c1, c2, c3
28551  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
28552  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
28553  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
28554  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
28555  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
28556  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
28557  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
28558  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
28559  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
28560  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2
28561 
28562 
28563  dr = lgth
28564  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
28565 
28566  s_r(:, :, :) = 0.0_dp
28567 
28568  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
28569 
28570  h_to_c_0_0 = sqrt(alpha/pi)
28571 
28572  h_to_c_0_1 = 0.0_dp
28573  h_to_c_1_1 = +2*alpha*h_to_c_0_0
28574  h_to_c_0_2 = -1*h_to_c_1_1
28575  h_to_c_1_2 = +2*alpha*h_to_c_0_1
28576  h_to_c_2_2 = +2*alpha*h_to_c_1_1
28577  h_to_c_0_3 = -1*h_to_c_1_2
28578  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
28579  h_to_c_2_3 = +2*alpha*h_to_c_1_2
28580  h_to_c_3_3 = +2*alpha*h_to_c_2_2
28581  h_to_c_0_4 = -1*h_to_c_1_3
28582  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
28583  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
28584  h_to_c_3_4 = +2*alpha*h_to_c_2_3
28585  h_to_c_4_4 = +2*alpha*h_to_c_3_3
28586  h_to_c_0_5 = -1*h_to_c_1_4
28587  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
28588  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
28589  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
28590  h_to_c_4_5 = +2*alpha*h_to_c_3_4
28591  h_to_c_5_5 = +2*alpha*h_to_c_4_4
28592  h_to_c_0_6 = -1*h_to_c_1_5
28593  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
28594  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
28595  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
28596  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
28597  h_to_c_5_6 = +2*alpha*h_to_c_4_5
28598  h_to_c_6_6 = +2*alpha*h_to_c_5_5
28599  h_to_c_0_7 = -1*h_to_c_1_6
28600  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
28601  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
28602  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
28603  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
28604  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
28605  h_to_c_6_7 = +2*alpha*h_to_c_5_6
28606  h_to_c_7_7 = +2*alpha*h_to_c_6_6
28607 
28608 
28609  rr1_delta = (ra - rb)/dr
28610 
28611  rr1_l = ceiling(-r_c(1) + rr1_delta)
28612  rr1_r = floor(r_c(1) + rr1_delta)
28613 
28614  r1 = rr1_l*dr
28615 
28616  alpha_e = zeta*zetb/(zeta + zetb)
28617 
28618  DO rr1 = rr1_l, rr1_r
28619  s_r_t_0 = 0.0_dp
28620  s_r_t2_0 = 0.0_dp
28621  s_r_t_1 = 0.0_dp
28622  s_r_t2_1 = 0.0_dp
28623  s_r_t_2 = 0.0_dp
28624  s_r_t2_2 = 0.0_dp
28625  s_r_t_3 = 0.0_dp
28626  s_r_t2_3 = 0.0_dp
28627  s_r_t_4 = 0.0_dp
28628  s_r_t2_4 = 0.0_dp
28629  s_r_t_5 = 0.0_dp
28630  s_r_t2_5 = 0.0_dp
28631  s_r_t_6 = 0.0_dp
28632  s_r_t2_6 = 0.0_dp
28633  s_r_t_7 = 0.0_dp
28634  s_r_t2_7 = 0.0_dp
28635  r_tmp = r_offset + r1*zeta/(zeta + zetb)
28636  rr2_delta = -r_tmp/dr
28637 
28638  rr2_l = ceiling(-r_c(2) + rr2_delta)
28639  rr2_r = floor(r_c(2) + rr2_delta)
28640 
28641  r = r_tmp + (rr2_l)*dr
28642 
28643 
28644  DO rr2 = rr2_l, rr2_r
28645  r_pow_t = 1.0_dp
28646  exp2_rsq = exp(-alpha*r*r)
28647  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
28648  r_pow_t = r_pow_t*r
28649  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
28650  r_pow_t = r_pow_t*r
28651  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
28652  r_pow_t = r_pow_t*r
28653  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
28654  r_pow_t = r_pow_t*r
28655  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
28656  r_pow_t = r_pow_t*r
28657  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
28658  r_pow_t = r_pow_t*r
28659  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
28660  r_pow_t = r_pow_t*r
28661  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
28662 
28663  r = r + dr
28664  END DO
28665 
28666  ! C --> H
28667  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
28668  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
28669  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
28670  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
28671  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
28672  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
28673  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
28674  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
28675  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
28676  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
28677  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
28678  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
28679  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
28680  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
28681  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
28682  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
28683  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
28684  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
28685  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
28686  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
28687  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
28688  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
28689  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
28690  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
28691  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
28692  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
28693  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
28694  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
28695  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
28696  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
28697  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
28698  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
28699  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
28700  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
28701  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
28702  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
28703 
28704  ! H --> HH
28705  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
28706 
28707  c1 = 1.0_dp/(zeta + zetb)
28708  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
28709  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
28710 
28711  e_0_1_0 = zeta*( &
28712  +c2*e_0_0_0&
28713 
28714  )
28715  e_0_0_1 = zetb*( &
28716  +c3*e_0_0_0&
28717 
28718  )
28719  e_1_1_0 = zeta*( c1*e_0_0_0 &
28720 
28721 
28722  )
28723  e_1_0_1 = zetb*( c1*e_0_0_0 &
28724 
28725 
28726  )
28727  e_0_2_0 = zeta*( &
28728  +c2*e_0_1_0&
28729  +2*e_1_1_0 &
28730  -2*e_0_0_0)
28731  e_0_1_1 = zetb*( &
28732  +c3*e_0_1_0&
28733  +2*e_1_1_0 &
28734  )
28735  e_1_2_0 = zeta*( c1*e_0_1_0 &
28736  +c2*e_1_1_0&
28737 
28738  )
28739  e_1_1_1 = zetb*( c1*e_0_1_0 &
28740  +c3*e_1_1_0&
28741 
28742  )
28743  e_2_2_0 = zeta*( c1*e_1_1_0 &
28744 
28745 
28746  )
28747  e_2_1_1 = zetb*( c1*e_1_1_0 &
28748 
28749 
28750  )
28751  e_0_3_0 = zeta*( &
28752  +c2*e_0_2_0&
28753  +2*e_1_2_0 &
28754  -4*e_0_1_0)
28755  e_0_2_1 = zetb*( &
28756  +c3*e_0_2_0&
28757  +2*e_1_2_0 &
28758  )
28759  e_1_3_0 = zeta*( c1*e_0_2_0 &
28760  +c2*e_1_2_0&
28761  +4*e_2_2_0 &
28762  -4*e_1_1_0)
28763  e_1_2_1 = zetb*( c1*e_0_2_0 &
28764  +c3*e_1_2_0&
28765  +4*e_2_2_0 &
28766  )
28767  e_2_3_0 = zeta*( c1*e_1_2_0 &
28768  +c2*e_2_2_0&
28769 
28770  )
28771  e_2_2_1 = zetb*( c1*e_1_2_0 &
28772  +c3*e_2_2_0&
28773 
28774  )
28775  e_3_3_0 = zeta*( c1*e_2_2_0 &
28776 
28777 
28778  )
28779  e_3_2_1 = zetb*( c1*e_2_2_0 &
28780 
28781 
28782  )
28783  e_0_3_1 = zetb*( &
28784  +c3*e_0_3_0&
28785  +2*e_1_3_0 &
28786  )
28787  e_1_3_1 = zetb*( c1*e_0_3_0 &
28788  +c3*e_1_3_0&
28789  +4*e_2_3_0 &
28790  )
28791  e_2_3_1 = zetb*( c1*e_1_3_0 &
28792  +c3*e_2_3_0&
28793  +6*e_3_3_0 &
28794  )
28795  e_3_3_1 = zetb*( c1*e_2_3_0 &
28796  +c3*e_3_3_0&
28797 
28798  )
28799  e_4_3_1 = zetb*( c1*e_3_3_0 &
28800 
28801 
28802  )
28803  e_0_1_1 = zeta*( &
28804  +c2*e_0_0_1&
28805  +2*e_1_0_1 &
28806  )
28807  e_0_0_2 = zetb*( &
28808  +c3*e_0_0_1&
28809  +2*e_1_0_1 &
28810  -2*e_0_0_0)
28811  e_1_1_1 = zeta*( c1*e_0_0_1 &
28812  +c2*e_1_0_1&
28813 
28814  )
28815  e_1_0_2 = zetb*( c1*e_0_0_1 &
28816  +c3*e_1_0_1&
28817 
28818  )
28819  e_2_1_1 = zeta*( c1*e_1_0_1 &
28820 
28821 
28822  )
28823  e_2_0_2 = zetb*( c1*e_1_0_1 &
28824 
28825 
28826  )
28827  e_0_2_1 = zeta*( &
28828  +c2*e_0_1_1&
28829  +2*e_1_1_1 &
28830  -2*e_0_0_1)
28831  e_0_1_2 = zetb*( &
28832  +c3*e_0_1_1&
28833  +2*e_1_1_1 &
28834  -2*e_0_1_0)
28835  e_1_2_1 = zeta*( c1*e_0_1_1 &
28836  +c2*e_1_1_1&
28837  +4*e_2_1_1 &
28838  -2*e_1_0_1)
28839  e_1_1_2 = zetb*( c1*e_0_1_1 &
28840  +c3*e_1_1_1&
28841  +4*e_2_1_1 &
28842  -2*e_1_1_0)
28843  e_2_2_1 = zeta*( c1*e_1_1_1 &
28844  +c2*e_2_1_1&
28845 
28846  )
28847  e_2_1_2 = zetb*( c1*e_1_1_1 &
28848  +c3*e_2_1_1&
28849 
28850  )
28851  e_3_2_1 = zeta*( c1*e_2_1_1 &
28852 
28853 
28854  )
28855  e_3_1_2 = zetb*( c1*e_2_1_1 &
28856 
28857 
28858  )
28859  e_0_3_1 = zeta*( &
28860  +c2*e_0_2_1&
28861  +2*e_1_2_1 &
28862  -4*e_0_1_1)
28863  e_0_2_2 = zetb*( &
28864  +c3*e_0_2_1&
28865  +2*e_1_2_1 &
28866  -2*e_0_2_0)
28867  e_1_3_1 = zeta*( c1*e_0_2_1 &
28868  +c2*e_1_2_1&
28869  +4*e_2_2_1 &
28870  -4*e_1_1_1)
28871  e_1_2_2 = zetb*( c1*e_0_2_1 &
28872  +c3*e_1_2_1&
28873  +4*e_2_2_1 &
28874  -2*e_1_2_0)
28875  e_2_3_1 = zeta*( c1*e_1_2_1 &
28876  +c2*e_2_2_1&
28877  +6*e_3_2_1 &
28878  -4*e_2_1_1)
28879  e_2_2_2 = zetb*( c1*e_1_2_1 &
28880  +c3*e_2_2_1&
28881  +6*e_3_2_1 &
28882  -2*e_2_2_0)
28883  e_3_3_1 = zeta*( c1*e_2_2_1 &
28884  +c2*e_3_2_1&
28885 
28886  )
28887  e_3_2_2 = zetb*( c1*e_2_2_1 &
28888  +c3*e_3_2_1&
28889 
28890  )
28891  e_4_3_1 = zeta*( c1*e_3_2_1 &
28892 
28893 
28894  )
28895  e_4_2_2 = zetb*( c1*e_3_2_1 &
28896 
28897 
28898  )
28899  e_0_3_2 = zetb*( &
28900  +c3*e_0_3_1&
28901  +2*e_1_3_1 &
28902  -2*e_0_3_0)
28903  e_1_3_2 = zetb*( c1*e_0_3_1 &
28904  +c3*e_1_3_1&
28905  +4*e_2_3_1 &
28906  -2*e_1_3_0)
28907  e_2_3_2 = zetb*( c1*e_1_3_1 &
28908  +c3*e_2_3_1&
28909  +6*e_3_3_1 &
28910  -2*e_2_3_0)
28911  e_3_3_2 = zetb*( c1*e_2_3_1 &
28912  +c3*e_3_3_1&
28913  +8*e_4_3_1 &
28914  -2*e_3_3_0)
28915  e_4_3_2 = zetb*( c1*e_3_3_1 &
28916  +c3*e_4_3_1&
28917 
28918  )
28919  e_5_3_2 = zetb*( c1*e_4_3_1 &
28920 
28921 
28922  )
28923  e_0_1_2 = zeta*( &
28924  +c2*e_0_0_2&
28925  +2*e_1_0_2 &
28926  )
28927  e_1_1_2 = zeta*( c1*e_0_0_2 &
28928  +c2*e_1_0_2&
28929  +4*e_2_0_2 &
28930  )
28931  e_2_1_2 = zeta*( c1*e_1_0_2 &
28932  +c2*e_2_0_2&
28933 
28934  )
28935  e_3_1_2 = zeta*( c1*e_2_0_2 &
28936 
28937 
28938  )
28939  e_0_2_2 = zeta*( &
28940  +c2*e_0_1_2&
28941  +2*e_1_1_2 &
28942  -2*e_0_0_2)
28943  e_1_2_2 = zeta*( c1*e_0_1_2 &
28944  +c2*e_1_1_2&
28945  +4*e_2_1_2 &
28946  -2*e_1_0_2)
28947  e_2_2_2 = zeta*( c1*e_1_1_2 &
28948  +c2*e_2_1_2&
28949  +6*e_3_1_2 &
28950  -2*e_2_0_2)
28951  e_3_2_2 = zeta*( c1*e_2_1_2 &
28952  +c2*e_3_1_2&
28953 
28954  )
28955  e_4_2_2 = zeta*( c1*e_3_1_2 &
28956 
28957 
28958  )
28959  e_0_3_2 = zeta*( &
28960  +c2*e_0_2_2&
28961  +2*e_1_2_2 &
28962  -4*e_0_1_2)
28963  e_1_3_2 = zeta*( c1*e_0_2_2 &
28964  +c2*e_1_2_2&
28965  +4*e_2_2_2 &
28966  -4*e_1_1_2)
28967  e_2_3_2 = zeta*( c1*e_1_2_2 &
28968  +c2*e_2_2_2&
28969  +6*e_3_2_2 &
28970  -4*e_2_1_2)
28971  e_3_3_2 = zeta*( c1*e_2_2_2 &
28972  +c2*e_3_2_2&
28973  +8*e_4_2_2 &
28974  -4*e_3_1_2)
28975  e_4_3_2 = zeta*( c1*e_3_2_2 &
28976  +c2*e_4_2_2&
28977 
28978  )
28979  e_5_3_2 = zeta*( c1*e_4_2_2 &
28980 
28981 
28982  )
28983 
28984  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
28985  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
28986  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
28987  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
28988  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
28989  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
28990  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
28991  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
28992  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
28993  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
28994  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
28995  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
28996  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
28997  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
28998  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
28999  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
29000  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
29001  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
29002  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
29003  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
29004  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
29005  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
29006  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
29007  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
29008  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
29009  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
29010  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
29011  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
29012  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
29013  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
29014  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
29015  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
29016  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
29017  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
29018  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
29019  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
29020  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
29021  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
29022  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
29023  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
29024  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
29025  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
29026  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
29027  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
29028  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
29029  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
29030  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
29031  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
29032  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
29033  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
29034  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
29035  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
29036  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
29037  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
29038  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
29039  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
29040  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
29041  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
29042  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
29043  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
29044  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
29045  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
29046  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
29047  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
29048  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
29049  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
29050  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
29051  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
29052  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
29053  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
29054  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
29055  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
29056  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
29057  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
29058  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
29059  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
29060  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
29061  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
29062  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
29063  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
29064  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
29065  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
29066  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
29067  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
29068  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
29069  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
29070  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
29071  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
29072  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
29073  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
29074  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
29075  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
29076  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
29077  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
29078  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
29079  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
29080  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
29081  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
29082  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
29083  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
29084  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
29085  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
29086  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
29087  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
29088  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
29089  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
29090  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
29091  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
29092  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
29093  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
29094  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
29095  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
29096  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
29097  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
29098  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
29099  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
29100  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
29101  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
29102  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
29103  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
29104  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
29105  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
29106  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
29107  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
29108  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
29109  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
29110  r1 = r1 + dr
29111  END DO
29112 
29113  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
29114  END SUBROUTINE
29115  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_2_3_exp_0 ( &
29116  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
29117  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
29118  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
29119  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
29120  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
29121  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
29122  r_pow_t, r_tmp, rr1_delta, rr2_delta
29123 
29124  REAL(kind=dp) :: c1, c2, c3
29125  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
29126  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
29127  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
29128  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
29129  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
29130  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
29131  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
29132  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
29133  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
29134  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
29135  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2
29136 
29137 
29138  dr = lgth
29139  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
29140 
29141  s_r(:, :, :) = 0.0_dp
29142 
29143  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
29144 
29145  h_to_c_0_0 = sqrt(alpha/pi)
29146 
29147  h_to_c_0_1 = 0.0_dp
29148  h_to_c_1_1 = +2*alpha*h_to_c_0_0
29149  h_to_c_0_2 = -1*h_to_c_1_1
29150  h_to_c_1_2 = +2*alpha*h_to_c_0_1
29151  h_to_c_2_2 = +2*alpha*h_to_c_1_1
29152  h_to_c_0_3 = -1*h_to_c_1_2
29153  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
29154  h_to_c_2_3 = +2*alpha*h_to_c_1_2
29155  h_to_c_3_3 = +2*alpha*h_to_c_2_2
29156  h_to_c_0_4 = -1*h_to_c_1_3
29157  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
29158  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
29159  h_to_c_3_4 = +2*alpha*h_to_c_2_3
29160  h_to_c_4_4 = +2*alpha*h_to_c_3_3
29161  h_to_c_0_5 = -1*h_to_c_1_4
29162  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
29163  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
29164  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
29165  h_to_c_4_5 = +2*alpha*h_to_c_3_4
29166  h_to_c_5_5 = +2*alpha*h_to_c_4_4
29167  h_to_c_0_6 = -1*h_to_c_1_5
29168  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
29169  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
29170  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
29171  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
29172  h_to_c_5_6 = +2*alpha*h_to_c_4_5
29173  h_to_c_6_6 = +2*alpha*h_to_c_5_5
29174  h_to_c_0_7 = -1*h_to_c_1_6
29175  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
29176  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
29177  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
29178  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
29179  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
29180  h_to_c_6_7 = +2*alpha*h_to_c_5_6
29181  h_to_c_7_7 = +2*alpha*h_to_c_6_6
29182  h_to_c_0_8 = -1*h_to_c_1_7
29183  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
29184  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
29185  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
29186  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
29187  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
29188  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
29189  h_to_c_7_8 = +2*alpha*h_to_c_6_7
29190  h_to_c_8_8 = +2*alpha*h_to_c_7_7
29191 
29192 
29193  rr1_delta = (ra - rb)/dr
29194 
29195  rr1_l = ceiling(-r_c(1) + rr1_delta)
29196  rr1_r = floor(r_c(1) + rr1_delta)
29197 
29198  r1 = rr1_l*dr
29199 
29200  alpha_e = zeta*zetb/(zeta + zetb)
29201 
29202  DO rr1 = rr1_l, rr1_r
29203  s_r_t_0 = 0.0_dp
29204  s_r_t2_0 = 0.0_dp
29205  s_r_t_1 = 0.0_dp
29206  s_r_t2_1 = 0.0_dp
29207  s_r_t_2 = 0.0_dp
29208  s_r_t2_2 = 0.0_dp
29209  s_r_t_3 = 0.0_dp
29210  s_r_t2_3 = 0.0_dp
29211  s_r_t_4 = 0.0_dp
29212  s_r_t2_4 = 0.0_dp
29213  s_r_t_5 = 0.0_dp
29214  s_r_t2_5 = 0.0_dp
29215  s_r_t_6 = 0.0_dp
29216  s_r_t2_6 = 0.0_dp
29217  s_r_t_7 = 0.0_dp
29218  s_r_t2_7 = 0.0_dp
29219  s_r_t_8 = 0.0_dp
29220  s_r_t2_8 = 0.0_dp
29221  r_tmp = r_offset + r1*zeta/(zeta + zetb)
29222  rr2_delta = -r_tmp/dr
29223 
29224  rr2_l = ceiling(-r_c(2) + rr2_delta)
29225  rr2_r = floor(r_c(2) + rr2_delta)
29226 
29227  r = r_tmp + (rr2_l)*dr
29228 
29229 
29230  DO rr2 = rr2_l, rr2_r
29231  r_pow_t = 1.0_dp
29232  exp2_rsq = exp(-alpha*r*r)
29233  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
29234  r_pow_t = r_pow_t*r
29235  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
29236  r_pow_t = r_pow_t*r
29237  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
29238  r_pow_t = r_pow_t*r
29239  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
29240  r_pow_t = r_pow_t*r
29241  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
29242  r_pow_t = r_pow_t*r
29243  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
29244  r_pow_t = r_pow_t*r
29245  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
29246  r_pow_t = r_pow_t*r
29247  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
29248  r_pow_t = r_pow_t*r
29249  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
29250 
29251  r = r + dr
29252  END DO
29253 
29254  ! C --> H
29255  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
29256  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
29257  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
29258  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
29259  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
29260  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
29261  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
29262  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
29263  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
29264  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
29265  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
29266  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
29267  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
29268  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
29269  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
29270  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
29271  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
29272  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
29273  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
29274  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
29275  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
29276  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
29277  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
29278  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
29279  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
29280  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
29281  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
29282  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
29283  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
29284  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
29285  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
29286  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
29287  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
29288  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
29289  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
29290  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
29291  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
29292  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
29293  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
29294  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
29295  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
29296  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
29297  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
29298  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
29299  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
29300 
29301  ! H --> HH
29302  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
29303 
29304  c1 = 1.0_dp/(zeta + zetb)
29305  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
29306  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
29307 
29308  e_0_1_0 = zeta*( &
29309  +c2*e_0_0_0&
29310 
29311  )
29312  e_0_0_1 = zetb*( &
29313  +c3*e_0_0_0&
29314 
29315  )
29316  e_1_1_0 = zeta*( c1*e_0_0_0 &
29317 
29318 
29319  )
29320  e_1_0_1 = zetb*( c1*e_0_0_0 &
29321 
29322 
29323  )
29324  e_0_2_0 = zeta*( &
29325  +c2*e_0_1_0&
29326  +2*e_1_1_0 &
29327  -2*e_0_0_0)
29328  e_0_1_1 = zetb*( &
29329  +c3*e_0_1_0&
29330  +2*e_1_1_0 &
29331  )
29332  e_1_2_0 = zeta*( c1*e_0_1_0 &
29333  +c2*e_1_1_0&
29334 
29335  )
29336  e_1_1_1 = zetb*( c1*e_0_1_0 &
29337  +c3*e_1_1_0&
29338 
29339  )
29340  e_2_2_0 = zeta*( c1*e_1_1_0 &
29341 
29342 
29343  )
29344  e_2_1_1 = zetb*( c1*e_1_1_0 &
29345 
29346 
29347  )
29348  e_0_3_0 = zeta*( &
29349  +c2*e_0_2_0&
29350  +2*e_1_2_0 &
29351  -4*e_0_1_0)
29352  e_0_2_1 = zetb*( &
29353  +c3*e_0_2_0&
29354  +2*e_1_2_0 &
29355  )
29356  e_1_3_0 = zeta*( c1*e_0_2_0 &
29357  +c2*e_1_2_0&
29358  +4*e_2_2_0 &
29359  -4*e_1_1_0)
29360  e_1_2_1 = zetb*( c1*e_0_2_0 &
29361  +c3*e_1_2_0&
29362  +4*e_2_2_0 &
29363  )
29364  e_2_3_0 = zeta*( c1*e_1_2_0 &
29365  +c2*e_2_2_0&
29366 
29367  )
29368  e_2_2_1 = zetb*( c1*e_1_2_0 &
29369  +c3*e_2_2_0&
29370 
29371  )
29372  e_3_3_0 = zeta*( c1*e_2_2_0 &
29373 
29374 
29375  )
29376  e_3_2_1 = zetb*( c1*e_2_2_0 &
29377 
29378 
29379  )
29380  e_0_3_1 = zetb*( &
29381  +c3*e_0_3_0&
29382  +2*e_1_3_0 &
29383  )
29384  e_1_3_1 = zetb*( c1*e_0_3_0 &
29385  +c3*e_1_3_0&
29386  +4*e_2_3_0 &
29387  )
29388  e_2_3_1 = zetb*( c1*e_1_3_0 &
29389  +c3*e_2_3_0&
29390  +6*e_3_3_0 &
29391  )
29392  e_3_3_1 = zetb*( c1*e_2_3_0 &
29393  +c3*e_3_3_0&
29394 
29395  )
29396  e_4_3_1 = zetb*( c1*e_3_3_0 &
29397 
29398 
29399  )
29400  e_0_1_1 = zeta*( &
29401  +c2*e_0_0_1&
29402  +2*e_1_0_1 &
29403  )
29404  e_0_0_2 = zetb*( &
29405  +c3*e_0_0_1&
29406  +2*e_1_0_1 &
29407  -2*e_0_0_0)
29408  e_1_1_1 = zeta*( c1*e_0_0_1 &
29409  +c2*e_1_0_1&
29410 
29411  )
29412  e_1_0_2 = zetb*( c1*e_0_0_1 &
29413  +c3*e_1_0_1&
29414 
29415  )
29416  e_2_1_1 = zeta*( c1*e_1_0_1 &
29417 
29418 
29419  )
29420  e_2_0_2 = zetb*( c1*e_1_0_1 &
29421 
29422 
29423  )
29424  e_0_2_1 = zeta*( &
29425  +c2*e_0_1_1&
29426  +2*e_1_1_1 &
29427  -2*e_0_0_1)
29428  e_0_1_2 = zetb*( &
29429  +c3*e_0_1_1&
29430  +2*e_1_1_1 &
29431  -2*e_0_1_0)
29432  e_1_2_1 = zeta*( c1*e_0_1_1 &
29433  +c2*e_1_1_1&
29434  +4*e_2_1_1 &
29435  -2*e_1_0_1)
29436  e_1_1_2 = zetb*( c1*e_0_1_1 &
29437  +c3*e_1_1_1&
29438  +4*e_2_1_1 &
29439  -2*e_1_1_0)
29440  e_2_2_1 = zeta*( c1*e_1_1_1 &
29441  +c2*e_2_1_1&
29442 
29443  )
29444  e_2_1_2 = zetb*( c1*e_1_1_1 &
29445  +c3*e_2_1_1&
29446 
29447  )
29448  e_3_2_1 = zeta*( c1*e_2_1_1 &
29449 
29450 
29451  )
29452  e_3_1_2 = zetb*( c1*e_2_1_1 &
29453 
29454 
29455  )
29456  e_0_3_1 = zeta*( &
29457  +c2*e_0_2_1&
29458  +2*e_1_2_1 &
29459  -4*e_0_1_1)
29460  e_0_2_2 = zetb*( &
29461  +c3*e_0_2_1&
29462  +2*e_1_2_1 &
29463  -2*e_0_2_0)
29464  e_1_3_1 = zeta*( c1*e_0_2_1 &
29465  +c2*e_1_2_1&
29466  +4*e_2_2_1 &
29467  -4*e_1_1_1)
29468  e_1_2_2 = zetb*( c1*e_0_2_1 &
29469  +c3*e_1_2_1&
29470  +4*e_2_2_1 &
29471  -2*e_1_2_0)
29472  e_2_3_1 = zeta*( c1*e_1_2_1 &
29473  +c2*e_2_2_1&
29474  +6*e_3_2_1 &
29475  -4*e_2_1_1)
29476  e_2_2_2 = zetb*( c1*e_1_2_1 &
29477  +c3*e_2_2_1&
29478  +6*e_3_2_1 &
29479  -2*e_2_2_0)
29480  e_3_3_1 = zeta*( c1*e_2_2_1 &
29481  +c2*e_3_2_1&
29482 
29483  )
29484  e_3_2_2 = zetb*( c1*e_2_2_1 &
29485  +c3*e_3_2_1&
29486 
29487  )
29488  e_4_3_1 = zeta*( c1*e_3_2_1 &
29489 
29490 
29491  )
29492  e_4_2_2 = zetb*( c1*e_3_2_1 &
29493 
29494 
29495  )
29496  e_0_3_2 = zetb*( &
29497  +c3*e_0_3_1&
29498  +2*e_1_3_1 &
29499  -2*e_0_3_0)
29500  e_1_3_2 = zetb*( c1*e_0_3_1 &
29501  +c3*e_1_3_1&
29502  +4*e_2_3_1 &
29503  -2*e_1_3_0)
29504  e_2_3_2 = zetb*( c1*e_1_3_1 &
29505  +c3*e_2_3_1&
29506  +6*e_3_3_1 &
29507  -2*e_2_3_0)
29508  e_3_3_2 = zetb*( c1*e_2_3_1 &
29509  +c3*e_3_3_1&
29510  +8*e_4_3_1 &
29511  -2*e_3_3_0)
29512  e_4_3_2 = zetb*( c1*e_3_3_1 &
29513  +c3*e_4_3_1&
29514 
29515  )
29516  e_5_3_2 = zetb*( c1*e_4_3_1 &
29517 
29518 
29519  )
29520  e_0_1_2 = zeta*( &
29521  +c2*e_0_0_2&
29522  +2*e_1_0_2 &
29523  )
29524  e_1_1_2 = zeta*( c1*e_0_0_2 &
29525  +c2*e_1_0_2&
29526  +4*e_2_0_2 &
29527  )
29528  e_2_1_2 = zeta*( c1*e_1_0_2 &
29529  +c2*e_2_0_2&
29530 
29531  )
29532  e_3_1_2 = zeta*( c1*e_2_0_2 &
29533 
29534 
29535  )
29536  e_0_2_2 = zeta*( &
29537  +c2*e_0_1_2&
29538  +2*e_1_1_2 &
29539  -2*e_0_0_2)
29540  e_1_2_2 = zeta*( c1*e_0_1_2 &
29541  +c2*e_1_1_2&
29542  +4*e_2_1_2 &
29543  -2*e_1_0_2)
29544  e_2_2_2 = zeta*( c1*e_1_1_2 &
29545  +c2*e_2_1_2&
29546  +6*e_3_1_2 &
29547  -2*e_2_0_2)
29548  e_3_2_2 = zeta*( c1*e_2_1_2 &
29549  +c2*e_3_1_2&
29550 
29551  )
29552  e_4_2_2 = zeta*( c1*e_3_1_2 &
29553 
29554 
29555  )
29556  e_0_3_2 = zeta*( &
29557  +c2*e_0_2_2&
29558  +2*e_1_2_2 &
29559  -4*e_0_1_2)
29560  e_1_3_2 = zeta*( c1*e_0_2_2 &
29561  +c2*e_1_2_2&
29562  +4*e_2_2_2 &
29563  -4*e_1_1_2)
29564  e_2_3_2 = zeta*( c1*e_1_2_2 &
29565  +c2*e_2_2_2&
29566  +6*e_3_2_2 &
29567  -4*e_2_1_2)
29568  e_3_3_2 = zeta*( c1*e_2_2_2 &
29569  +c2*e_3_2_2&
29570  +8*e_4_2_2 &
29571  -4*e_3_1_2)
29572  e_4_3_2 = zeta*( c1*e_3_2_2 &
29573  +c2*e_4_2_2&
29574 
29575  )
29576  e_5_3_2 = zeta*( c1*e_4_2_2 &
29577 
29578 
29579  )
29580 
29581  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
29582  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
29583  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
29584  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
29585  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
29586  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
29587  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
29588  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
29589  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
29590  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
29591  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
29592  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
29593  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
29594  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
29595  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
29596  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
29597  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
29598  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
29599  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
29600  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
29601  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
29602  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
29603  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
29604  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
29605  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
29606  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
29607  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
29608  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
29609  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
29610  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
29611  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
29612  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
29613  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
29614  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
29615  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
29616  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
29617  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
29618  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
29619  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
29620  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
29621  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
29622  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
29623  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
29624  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
29625  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
29626  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
29627  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
29628  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
29629  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
29630  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
29631  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
29632  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
29633  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
29634  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
29635  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
29636  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
29637  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
29638  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
29639  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
29640  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
29641  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
29642  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
29643  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
29644  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
29645  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
29646  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
29647  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
29648  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
29649  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
29650  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
29651  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
29652  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
29653  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
29654  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
29655  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
29656  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
29657  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
29658  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
29659  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
29660  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
29661  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
29662  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
29663  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
29664  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
29665  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
29666  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
29667  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
29668  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
29669  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
29670  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
29671  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
29672  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
29673  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
29674  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
29675  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
29676  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
29677  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
29678  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
29679  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
29680  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
29681  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
29682  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
29683  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
29684  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
29685  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
29686  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
29687  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
29688  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
29689  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
29690  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
29691  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
29692  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
29693  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
29694  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
29695  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
29696  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
29697  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
29698  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
29699  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
29700  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
29701  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
29702  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
29703  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
29704  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
29705  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
29706  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
29707  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
29708  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
29709  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
29710  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
29711  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
29712  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
29713  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
29714  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
29715  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
29716  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
29717  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
29718  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
29719  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
29720  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
29721  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
29722  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
29723  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
29724  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
29725  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
29726  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
29727  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
29728  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
29729  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
29730  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
29731  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
29732  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
29733  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
29734  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
29735  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
29736  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
29737  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
29738  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
29739  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
29740  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
29741  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
29742  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
29743  s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
29744  s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
29745  s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
29746  s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
29747  s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
29748  s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
29749  r1 = r1 + dr
29750  END DO
29751 
29752  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
29753  END SUBROUTINE
29754  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_2_4_exp_0 ( &
29755  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
29756  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
29757  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
29758  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
29759  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
29760  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
29761  r_pow_t, r_tmp, rr1_delta, rr2_delta
29762 
29763  REAL(kind=dp) :: c1, c2, c3
29764  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
29765  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
29766  & s_r_t2_9
29767  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
29768  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
29769  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
29770  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
29771  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
29772  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
29773  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
29774  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
29775  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
29776  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2
29777 
29778 
29779  dr = lgth
29780  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
29781 
29782  s_r(:, :, :) = 0.0_dp
29783 
29784  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
29785 
29786  h_to_c_0_0 = sqrt(alpha/pi)
29787 
29788  h_to_c_0_1 = 0.0_dp
29789  h_to_c_1_1 = +2*alpha*h_to_c_0_0
29790  h_to_c_0_2 = -1*h_to_c_1_1
29791  h_to_c_1_2 = +2*alpha*h_to_c_0_1
29792  h_to_c_2_2 = +2*alpha*h_to_c_1_1
29793  h_to_c_0_3 = -1*h_to_c_1_2
29794  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
29795  h_to_c_2_3 = +2*alpha*h_to_c_1_2
29796  h_to_c_3_3 = +2*alpha*h_to_c_2_2
29797  h_to_c_0_4 = -1*h_to_c_1_3
29798  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
29799  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
29800  h_to_c_3_4 = +2*alpha*h_to_c_2_3
29801  h_to_c_4_4 = +2*alpha*h_to_c_3_3
29802  h_to_c_0_5 = -1*h_to_c_1_4
29803  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
29804  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
29805  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
29806  h_to_c_4_5 = +2*alpha*h_to_c_3_4
29807  h_to_c_5_5 = +2*alpha*h_to_c_4_4
29808  h_to_c_0_6 = -1*h_to_c_1_5
29809  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
29810  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
29811  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
29812  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
29813  h_to_c_5_6 = +2*alpha*h_to_c_4_5
29814  h_to_c_6_6 = +2*alpha*h_to_c_5_5
29815  h_to_c_0_7 = -1*h_to_c_1_6
29816  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
29817  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
29818  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
29819  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
29820  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
29821  h_to_c_6_7 = +2*alpha*h_to_c_5_6
29822  h_to_c_7_7 = +2*alpha*h_to_c_6_6
29823  h_to_c_0_8 = -1*h_to_c_1_7
29824  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
29825  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
29826  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
29827  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
29828  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
29829  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
29830  h_to_c_7_8 = +2*alpha*h_to_c_6_7
29831  h_to_c_8_8 = +2*alpha*h_to_c_7_7
29832  h_to_c_0_9 = -1*h_to_c_1_8
29833  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
29834  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
29835  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
29836  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
29837  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
29838  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
29839  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
29840  h_to_c_8_9 = +2*alpha*h_to_c_7_8
29841  h_to_c_9_9 = +2*alpha*h_to_c_8_8
29842 
29843 
29844  rr1_delta = (ra - rb)/dr
29845 
29846  rr1_l = ceiling(-r_c(1) + rr1_delta)
29847  rr1_r = floor(r_c(1) + rr1_delta)
29848 
29849  r1 = rr1_l*dr
29850 
29851  alpha_e = zeta*zetb/(zeta + zetb)
29852 
29853  DO rr1 = rr1_l, rr1_r
29854  s_r_t_0 = 0.0_dp
29855  s_r_t2_0 = 0.0_dp
29856  s_r_t_1 = 0.0_dp
29857  s_r_t2_1 = 0.0_dp
29858  s_r_t_2 = 0.0_dp
29859  s_r_t2_2 = 0.0_dp
29860  s_r_t_3 = 0.0_dp
29861  s_r_t2_3 = 0.0_dp
29862  s_r_t_4 = 0.0_dp
29863  s_r_t2_4 = 0.0_dp
29864  s_r_t_5 = 0.0_dp
29865  s_r_t2_5 = 0.0_dp
29866  s_r_t_6 = 0.0_dp
29867  s_r_t2_6 = 0.0_dp
29868  s_r_t_7 = 0.0_dp
29869  s_r_t2_7 = 0.0_dp
29870  s_r_t_8 = 0.0_dp
29871  s_r_t2_8 = 0.0_dp
29872  s_r_t_9 = 0.0_dp
29873  s_r_t2_9 = 0.0_dp
29874  r_tmp = r_offset + r1*zeta/(zeta + zetb)
29875  rr2_delta = -r_tmp/dr
29876 
29877  rr2_l = ceiling(-r_c(2) + rr2_delta)
29878  rr2_r = floor(r_c(2) + rr2_delta)
29879 
29880  r = r_tmp + (rr2_l)*dr
29881 
29882 
29883  DO rr2 = rr2_l, rr2_r
29884  r_pow_t = 1.0_dp
29885  exp2_rsq = exp(-alpha*r*r)
29886  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
29887  r_pow_t = r_pow_t*r
29888  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
29889  r_pow_t = r_pow_t*r
29890  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
29891  r_pow_t = r_pow_t*r
29892  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
29893  r_pow_t = r_pow_t*r
29894  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
29895  r_pow_t = r_pow_t*r
29896  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
29897  r_pow_t = r_pow_t*r
29898  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
29899  r_pow_t = r_pow_t*r
29900  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
29901  r_pow_t = r_pow_t*r
29902  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
29903  r_pow_t = r_pow_t*r
29904  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
29905 
29906  r = r + dr
29907  END DO
29908 
29909  ! C --> H
29910  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
29911  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
29912  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
29913  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
29914  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
29915  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
29916  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
29917  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
29918  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
29919  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
29920  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
29921  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
29922  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
29923  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
29924  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
29925  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
29926  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
29927  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
29928  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
29929  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
29930  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
29931  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
29932  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
29933  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
29934  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
29935  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
29936  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
29937  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
29938  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
29939  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
29940  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
29941  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
29942  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
29943  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
29944  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
29945  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
29946  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
29947  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
29948  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
29949  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
29950  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
29951  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
29952  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
29953  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
29954  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
29955  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
29956  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
29957  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
29958  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
29959  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
29960  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
29961  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
29962  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
29963  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
29964  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
29965 
29966  ! H --> HH
29967  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
29968 
29969  c1 = 1.0_dp/(zeta + zetb)
29970  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
29971  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
29972 
29973  e_0_1_0 = zeta*( &
29974  +c2*e_0_0_0&
29975 
29976  )
29977  e_0_0_1 = zetb*( &
29978  +c3*e_0_0_0&
29979 
29980  )
29981  e_1_1_0 = zeta*( c1*e_0_0_0 &
29982 
29983 
29984  )
29985  e_1_0_1 = zetb*( c1*e_0_0_0 &
29986 
29987 
29988  )
29989  e_0_2_0 = zeta*( &
29990  +c2*e_0_1_0&
29991  +2*e_1_1_0 &
29992  -2*e_0_0_0)
29993  e_0_1_1 = zetb*( &
29994  +c3*e_0_1_0&
29995  +2*e_1_1_0 &
29996  )
29997  e_1_2_0 = zeta*( c1*e_0_1_0 &
29998  +c2*e_1_1_0&
29999 
30000  )
30001  e_1_1_1 = zetb*( c1*e_0_1_0 &
30002  +c3*e_1_1_0&
30003 
30004  )
30005  e_2_2_0 = zeta*( c1*e_1_1_0 &
30006 
30007 
30008  )
30009  e_2_1_1 = zetb*( c1*e_1_1_0 &
30010 
30011 
30012  )
30013  e_0_3_0 = zeta*( &
30014  +c2*e_0_2_0&
30015  +2*e_1_2_0 &
30016  -4*e_0_1_0)
30017  e_0_2_1 = zetb*( &
30018  +c3*e_0_2_0&
30019  +2*e_1_2_0 &
30020  )
30021  e_1_3_0 = zeta*( c1*e_0_2_0 &
30022  +c2*e_1_2_0&
30023  +4*e_2_2_0 &
30024  -4*e_1_1_0)
30025  e_1_2_1 = zetb*( c1*e_0_2_0 &
30026  +c3*e_1_2_0&
30027  +4*e_2_2_0 &
30028  )
30029  e_2_3_0 = zeta*( c1*e_1_2_0 &
30030  +c2*e_2_2_0&
30031 
30032  )
30033  e_2_2_1 = zetb*( c1*e_1_2_0 &
30034  +c3*e_2_2_0&
30035 
30036  )
30037  e_3_3_0 = zeta*( c1*e_2_2_0 &
30038 
30039 
30040  )
30041  e_3_2_1 = zetb*( c1*e_2_2_0 &
30042 
30043 
30044  )
30045  e_0_3_1 = zetb*( &
30046  +c3*e_0_3_0&
30047  +2*e_1_3_0 &
30048  )
30049  e_1_3_1 = zetb*( c1*e_0_3_0 &
30050  +c3*e_1_3_0&
30051  +4*e_2_3_0 &
30052  )
30053  e_2_3_1 = zetb*( c1*e_1_3_0 &
30054  +c3*e_2_3_0&
30055  +6*e_3_3_0 &
30056  )
30057  e_3_3_1 = zetb*( c1*e_2_3_0 &
30058  +c3*e_3_3_0&
30059 
30060  )
30061  e_4_3_1 = zetb*( c1*e_3_3_0 &
30062 
30063 
30064  )
30065  e_0_1_1 = zeta*( &
30066  +c2*e_0_0_1&
30067  +2*e_1_0_1 &
30068  )
30069  e_0_0_2 = zetb*( &
30070  +c3*e_0_0_1&
30071  +2*e_1_0_1 &
30072  -2*e_0_0_0)
30073  e_1_1_1 = zeta*( c1*e_0_0_1 &
30074  +c2*e_1_0_1&
30075 
30076  )
30077  e_1_0_2 = zetb*( c1*e_0_0_1 &
30078  +c3*e_1_0_1&
30079 
30080  )
30081  e_2_1_1 = zeta*( c1*e_1_0_1 &
30082 
30083 
30084  )
30085  e_2_0_2 = zetb*( c1*e_1_0_1 &
30086 
30087 
30088  )
30089  e_0_2_1 = zeta*( &
30090  +c2*e_0_1_1&
30091  +2*e_1_1_1 &
30092  -2*e_0_0_1)
30093  e_0_1_2 = zetb*( &
30094  +c3*e_0_1_1&
30095  +2*e_1_1_1 &
30096  -2*e_0_1_0)
30097  e_1_2_1 = zeta*( c1*e_0_1_1 &
30098  +c2*e_1_1_1&
30099  +4*e_2_1_1 &
30100  -2*e_1_0_1)
30101  e_1_1_2 = zetb*( c1*e_0_1_1 &
30102  +c3*e_1_1_1&
30103  +4*e_2_1_1 &
30104  -2*e_1_1_0)
30105  e_2_2_1 = zeta*( c1*e_1_1_1 &
30106  +c2*e_2_1_1&
30107 
30108  )
30109  e_2_1_2 = zetb*( c1*e_1_1_1 &
30110  +c3*e_2_1_1&
30111 
30112  )
30113  e_3_2_1 = zeta*( c1*e_2_1_1 &
30114 
30115 
30116  )
30117  e_3_1_2 = zetb*( c1*e_2_1_1 &
30118 
30119 
30120  )
30121  e_0_3_1 = zeta*( &
30122  +c2*e_0_2_1&
30123  +2*e_1_2_1 &
30124  -4*e_0_1_1)
30125  e_0_2_2 = zetb*( &
30126  +c3*e_0_2_1&
30127  +2*e_1_2_1 &
30128  -2*e_0_2_0)
30129  e_1_3_1 = zeta*( c1*e_0_2_1 &
30130  +c2*e_1_2_1&
30131  +4*e_2_2_1 &
30132  -4*e_1_1_1)
30133  e_1_2_2 = zetb*( c1*e_0_2_1 &
30134  +c3*e_1_2_1&
30135  +4*e_2_2_1 &
30136  -2*e_1_2_0)
30137  e_2_3_1 = zeta*( c1*e_1_2_1 &
30138  +c2*e_2_2_1&
30139  +6*e_3_2_1 &
30140  -4*e_2_1_1)
30141  e_2_2_2 = zetb*( c1*e_1_2_1 &
30142  +c3*e_2_2_1&
30143  +6*e_3_2_1 &
30144  -2*e_2_2_0)
30145  e_3_3_1 = zeta*( c1*e_2_2_1 &
30146  +c2*e_3_2_1&
30147 
30148  )
30149  e_3_2_2 = zetb*( c1*e_2_2_1 &
30150  +c3*e_3_2_1&
30151 
30152  )
30153  e_4_3_1 = zeta*( c1*e_3_2_1 &
30154 
30155 
30156  )
30157  e_4_2_2 = zetb*( c1*e_3_2_1 &
30158 
30159 
30160  )
30161  e_0_3_2 = zetb*( &
30162  +c3*e_0_3_1&
30163  +2*e_1_3_1 &
30164  -2*e_0_3_0)
30165  e_1_3_2 = zetb*( c1*e_0_3_1 &
30166  +c3*e_1_3_1&
30167  +4*e_2_3_1 &
30168  -2*e_1_3_0)
30169  e_2_3_2 = zetb*( c1*e_1_3_1 &
30170  +c3*e_2_3_1&
30171  +6*e_3_3_1 &
30172  -2*e_2_3_0)
30173  e_3_3_2 = zetb*( c1*e_2_3_1 &
30174  +c3*e_3_3_1&
30175  +8*e_4_3_1 &
30176  -2*e_3_3_0)
30177  e_4_3_2 = zetb*( c1*e_3_3_1 &
30178  +c3*e_4_3_1&
30179 
30180  )
30181  e_5_3_2 = zetb*( c1*e_4_3_1 &
30182 
30183 
30184  )
30185  e_0_1_2 = zeta*( &
30186  +c2*e_0_0_2&
30187  +2*e_1_0_2 &
30188  )
30189  e_1_1_2 = zeta*( c1*e_0_0_2 &
30190  +c2*e_1_0_2&
30191  +4*e_2_0_2 &
30192  )
30193  e_2_1_2 = zeta*( c1*e_1_0_2 &
30194  +c2*e_2_0_2&
30195 
30196  )
30197  e_3_1_2 = zeta*( c1*e_2_0_2 &
30198 
30199 
30200  )
30201  e_0_2_2 = zeta*( &
30202  +c2*e_0_1_2&
30203  +2*e_1_1_2 &
30204  -2*e_0_0_2)
30205  e_1_2_2 = zeta*( c1*e_0_1_2 &
30206  +c2*e_1_1_2&
30207  +4*e_2_1_2 &
30208  -2*e_1_0_2)
30209  e_2_2_2 = zeta*( c1*e_1_1_2 &
30210  +c2*e_2_1_2&
30211  +6*e_3_1_2 &
30212  -2*e_2_0_2)
30213  e_3_2_2 = zeta*( c1*e_2_1_2 &
30214  +c2*e_3_1_2&
30215 
30216  )
30217  e_4_2_2 = zeta*( c1*e_3_1_2 &
30218 
30219 
30220  )
30221  e_0_3_2 = zeta*( &
30222  +c2*e_0_2_2&
30223  +2*e_1_2_2 &
30224  -4*e_0_1_2)
30225  e_1_3_2 = zeta*( c1*e_0_2_2 &
30226  +c2*e_1_2_2&
30227  +4*e_2_2_2 &
30228  -4*e_1_1_2)
30229  e_2_3_2 = zeta*( c1*e_1_2_2 &
30230  +c2*e_2_2_2&
30231  +6*e_3_2_2 &
30232  -4*e_2_1_2)
30233  e_3_3_2 = zeta*( c1*e_2_2_2 &
30234  +c2*e_3_2_2&
30235  +8*e_4_2_2 &
30236  -4*e_3_1_2)
30237  e_4_3_2 = zeta*( c1*e_3_2_2 &
30238  +c2*e_4_2_2&
30239 
30240  )
30241  e_5_3_2 = zeta*( c1*e_4_2_2 &
30242 
30243 
30244  )
30245 
30246  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
30247  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
30248  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
30249  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
30250  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
30251  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
30252  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
30253  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
30254  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
30255  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
30256  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
30257  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
30258  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
30259  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
30260  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
30261  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
30262  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
30263  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
30264  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
30265  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
30266  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
30267  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
30268  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
30269  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
30270  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
30271  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
30272  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
30273  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
30274  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
30275  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
30276  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
30277  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
30278  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
30279  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
30280  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
30281  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
30282  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
30283  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
30284  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
30285  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
30286  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
30287  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
30288  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
30289  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
30290  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
30291  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
30292  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
30293  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
30294  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
30295  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
30296  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
30297  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
30298  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
30299  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
30300  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
30301  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
30302  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
30303  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
30304  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
30305  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
30306  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
30307  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
30308  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
30309  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
30310  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
30311  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
30312  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
30313  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
30314  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
30315  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
30316  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
30317  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
30318  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
30319  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
30320  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
30321  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
30322  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
30323  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
30324  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
30325  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
30326  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
30327  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
30328  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
30329  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
30330  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
30331  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
30332  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
30333  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
30334  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
30335  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
30336  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
30337  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
30338  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
30339  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
30340  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
30341  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
30342  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
30343  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
30344  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
30345  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
30346  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
30347  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
30348  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
30349  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
30350  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
30351  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
30352  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
30353  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
30354  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
30355  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
30356  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
30357  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
30358  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
30359  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
30360  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
30361  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
30362  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
30363  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
30364  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
30365  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
30366  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
30367  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
30368  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
30369  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
30370  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
30371  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
30372  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
30373  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
30374  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
30375  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
30376  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
30377  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
30378  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
30379  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
30380  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
30381  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
30382  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
30383  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
30384  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
30385  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
30386  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
30387  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
30388  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
30389  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
30390  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
30391  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
30392  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
30393  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
30394  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
30395  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
30396  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
30397  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
30398  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
30399  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
30400  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
30401  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
30402  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
30403  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
30404  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
30405  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
30406  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
30407  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
30408  s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
30409  s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
30410  s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
30411  s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
30412  s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
30413  s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
30414  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
30415  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
30416  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
30417  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
30418  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
30419  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
30420  s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
30421  s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
30422  s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
30423  s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
30424  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
30425  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
30426  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
30427  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
30428  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
30429  s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
30430  s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
30431  s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
30432  s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
30433  s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
30434  s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
30435  s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
30436  s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
30437  s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
30438  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
30439  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
30440  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
30441  s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
30442  s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
30443  s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
30444  s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
30445  s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
30446  s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
30447  s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
30448  s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
30449  s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
30450  s_r(3, 2, 4) = s_r(3, 2, 4) + e_0_3_2*(1)*s_r_t2_4 ! cost: 5 flops
30451  s_r(3, 2, 4) = s_r(3, 2, 4) + e_1_3_2*(1)*s_r_t2_5 ! cost: 5 flops
30452  s_r(3, 2, 4) = s_r(3, 2, 4) + e_2_3_2*(1)*s_r_t2_6 ! cost: 5 flops
30453  s_r(3, 2, 4) = s_r(3, 2, 4) + e_3_3_2*(1)*s_r_t2_7 ! cost: 5 flops
30454  s_r(3, 2, 4) = s_r(3, 2, 4) + e_4_3_2*(1)*s_r_t2_8 ! cost: 5 flops
30455  s_r(3, 2, 4) = s_r(3, 2, 4) + e_5_3_2*(1)*s_r_t2_9 ! cost: 5 flops
30456  r1 = r1 + dr
30457  END DO
30458 
30459  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
30460  END SUBROUTINE
30461  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_3_0_exp_0 ( &
30462  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
30463  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
30464  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
30465  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
30466  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
30467  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
30468  r_pow_t, r_tmp, rr1_delta, rr2_delta
30469 
30470  REAL(kind=dp) :: c1, c2, c3
30471  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
30472  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
30473  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
30474  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
30475  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
30476  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
30477  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
30478  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
30479  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
30480  & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3
30481 
30482 
30483  dr = lgth
30484  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
30485 
30486  s_r(:, :, :) = 0.0_dp
30487 
30488  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
30489 
30490  h_to_c_0_0 = sqrt(alpha/pi)
30491 
30492  h_to_c_0_1 = 0.0_dp
30493  h_to_c_1_1 = +2*alpha*h_to_c_0_0
30494  h_to_c_0_2 = -1*h_to_c_1_1
30495  h_to_c_1_2 = +2*alpha*h_to_c_0_1
30496  h_to_c_2_2 = +2*alpha*h_to_c_1_1
30497  h_to_c_0_3 = -1*h_to_c_1_2
30498  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
30499  h_to_c_2_3 = +2*alpha*h_to_c_1_2
30500  h_to_c_3_3 = +2*alpha*h_to_c_2_2
30501  h_to_c_0_4 = -1*h_to_c_1_3
30502  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
30503  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
30504  h_to_c_3_4 = +2*alpha*h_to_c_2_3
30505  h_to_c_4_4 = +2*alpha*h_to_c_3_3
30506  h_to_c_0_5 = -1*h_to_c_1_4
30507  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
30508  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
30509  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
30510  h_to_c_4_5 = +2*alpha*h_to_c_3_4
30511  h_to_c_5_5 = +2*alpha*h_to_c_4_4
30512  h_to_c_0_6 = -1*h_to_c_1_5
30513  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
30514  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
30515  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
30516  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
30517  h_to_c_5_6 = +2*alpha*h_to_c_4_5
30518  h_to_c_6_6 = +2*alpha*h_to_c_5_5
30519 
30520 
30521  rr1_delta = (ra - rb)/dr
30522 
30523  rr1_l = ceiling(-r_c(1) + rr1_delta)
30524  rr1_r = floor(r_c(1) + rr1_delta)
30525 
30526  r1 = rr1_l*dr
30527 
30528  alpha_e = zeta*zetb/(zeta + zetb)
30529 
30530  DO rr1 = rr1_l, rr1_r
30531  s_r_t_0 = 0.0_dp
30532  s_r_t2_0 = 0.0_dp
30533  s_r_t_1 = 0.0_dp
30534  s_r_t2_1 = 0.0_dp
30535  s_r_t_2 = 0.0_dp
30536  s_r_t2_2 = 0.0_dp
30537  s_r_t_3 = 0.0_dp
30538  s_r_t2_3 = 0.0_dp
30539  s_r_t_4 = 0.0_dp
30540  s_r_t2_4 = 0.0_dp
30541  s_r_t_5 = 0.0_dp
30542  s_r_t2_5 = 0.0_dp
30543  s_r_t_6 = 0.0_dp
30544  s_r_t2_6 = 0.0_dp
30545  r_tmp = r_offset + r1*zeta/(zeta + zetb)
30546  rr2_delta = -r_tmp/dr
30547 
30548  rr2_l = ceiling(-r_c(2) + rr2_delta)
30549  rr2_r = floor(r_c(2) + rr2_delta)
30550 
30551  r = r_tmp + (rr2_l)*dr
30552 
30553 
30554  DO rr2 = rr2_l, rr2_r
30555  r_pow_t = 1.0_dp
30556  exp2_rsq = exp(-alpha*r*r)
30557  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
30558  r_pow_t = r_pow_t*r
30559  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
30560  r_pow_t = r_pow_t*r
30561  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
30562  r_pow_t = r_pow_t*r
30563  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
30564  r_pow_t = r_pow_t*r
30565  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
30566  r_pow_t = r_pow_t*r
30567  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
30568  r_pow_t = r_pow_t*r
30569  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
30570 
30571  r = r + dr
30572  END DO
30573 
30574  ! C --> H
30575  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
30576  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
30577  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
30578  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
30579  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
30580  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
30581  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
30582  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
30583  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
30584  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
30585  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
30586  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
30587  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
30588  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
30589  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
30590  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
30591  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
30592  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
30593  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
30594  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
30595  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
30596  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
30597  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
30598  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
30599  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
30600  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
30601  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
30602  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
30603 
30604  ! H --> HH
30605  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
30606 
30607  c1 = 1.0_dp/(zeta + zetb)
30608  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
30609  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
30610 
30611  e_0_1_0 = zeta*( &
30612  +c2*e_0_0_0&
30613 
30614  )
30615  e_0_0_1 = zetb*( &
30616  +c3*e_0_0_0&
30617 
30618  )
30619  e_1_1_0 = zeta*( c1*e_0_0_0 &
30620 
30621 
30622  )
30623  e_1_0_1 = zetb*( c1*e_0_0_0 &
30624 
30625 
30626  )
30627  e_0_2_0 = zeta*( &
30628  +c2*e_0_1_0&
30629  +2*e_1_1_0 &
30630  -2*e_0_0_0)
30631  e_0_1_1 = zetb*( &
30632  +c3*e_0_1_0&
30633  +2*e_1_1_0 &
30634  )
30635  e_1_2_0 = zeta*( c1*e_0_1_0 &
30636  +c2*e_1_1_0&
30637 
30638  )
30639  e_1_1_1 = zetb*( c1*e_0_1_0 &
30640  +c3*e_1_1_0&
30641 
30642  )
30643  e_2_2_0 = zeta*( c1*e_1_1_0 &
30644 
30645 
30646  )
30647  e_2_1_1 = zetb*( c1*e_1_1_0 &
30648 
30649 
30650  )
30651  e_0_3_0 = zeta*( &
30652  +c2*e_0_2_0&
30653  +2*e_1_2_0 &
30654  -4*e_0_1_0)
30655  e_0_2_1 = zetb*( &
30656  +c3*e_0_2_0&
30657  +2*e_1_2_0 &
30658  )
30659  e_1_3_0 = zeta*( c1*e_0_2_0 &
30660  +c2*e_1_2_0&
30661  +4*e_2_2_0 &
30662  -4*e_1_1_0)
30663  e_1_2_1 = zetb*( c1*e_0_2_0 &
30664  +c3*e_1_2_0&
30665  +4*e_2_2_0 &
30666  )
30667  e_2_3_0 = zeta*( c1*e_1_2_0 &
30668  +c2*e_2_2_0&
30669 
30670  )
30671  e_2_2_1 = zetb*( c1*e_1_2_0 &
30672  +c3*e_2_2_0&
30673 
30674  )
30675  e_3_3_0 = zeta*( c1*e_2_2_0 &
30676 
30677 
30678  )
30679  e_3_2_1 = zetb*( c1*e_2_2_0 &
30680 
30681 
30682  )
30683  e_0_3_1 = zetb*( &
30684  +c3*e_0_3_0&
30685  +2*e_1_3_0 &
30686  )
30687  e_1_3_1 = zetb*( c1*e_0_3_0 &
30688  +c3*e_1_3_0&
30689  +4*e_2_3_0 &
30690  )
30691  e_2_3_1 = zetb*( c1*e_1_3_0 &
30692  +c3*e_2_3_0&
30693  +6*e_3_3_0 &
30694  )
30695  e_3_3_1 = zetb*( c1*e_2_3_0 &
30696  +c3*e_3_3_0&
30697 
30698  )
30699  e_4_3_1 = zetb*( c1*e_3_3_0 &
30700 
30701 
30702  )
30703  e_0_1_1 = zeta*( &
30704  +c2*e_0_0_1&
30705  +2*e_1_0_1 &
30706  )
30707  e_0_0_2 = zetb*( &
30708  +c3*e_0_0_1&
30709  +2*e_1_0_1 &
30710  -2*e_0_0_0)
30711  e_1_1_1 = zeta*( c1*e_0_0_1 &
30712  +c2*e_1_0_1&
30713 
30714  )
30715  e_1_0_2 = zetb*( c1*e_0_0_1 &
30716  +c3*e_1_0_1&
30717 
30718  )
30719  e_2_1_1 = zeta*( c1*e_1_0_1 &
30720 
30721 
30722  )
30723  e_2_0_2 = zetb*( c1*e_1_0_1 &
30724 
30725 
30726  )
30727  e_0_2_1 = zeta*( &
30728  +c2*e_0_1_1&
30729  +2*e_1_1_1 &
30730  -2*e_0_0_1)
30731  e_0_1_2 = zetb*( &
30732  +c3*e_0_1_1&
30733  +2*e_1_1_1 &
30734  -2*e_0_1_0)
30735  e_1_2_1 = zeta*( c1*e_0_1_1 &
30736  +c2*e_1_1_1&
30737  +4*e_2_1_1 &
30738  -2*e_1_0_1)
30739  e_1_1_2 = zetb*( c1*e_0_1_1 &
30740  +c3*e_1_1_1&
30741  +4*e_2_1_1 &
30742  -2*e_1_1_0)
30743  e_2_2_1 = zeta*( c1*e_1_1_1 &
30744  +c2*e_2_1_1&
30745 
30746  )
30747  e_2_1_2 = zetb*( c1*e_1_1_1 &
30748  +c3*e_2_1_1&
30749 
30750  )
30751  e_3_2_1 = zeta*( c1*e_2_1_1 &
30752 
30753 
30754  )
30755  e_3_1_2 = zetb*( c1*e_2_1_1 &
30756 
30757 
30758  )
30759  e_0_3_1 = zeta*( &
30760  +c2*e_0_2_1&
30761  +2*e_1_2_1 &
30762  -4*e_0_1_1)
30763  e_0_2_2 = zetb*( &
30764  +c3*e_0_2_1&
30765  +2*e_1_2_1 &
30766  -2*e_0_2_0)
30767  e_1_3_1 = zeta*( c1*e_0_2_1 &
30768  +c2*e_1_2_1&
30769  +4*e_2_2_1 &
30770  -4*e_1_1_1)
30771  e_1_2_2 = zetb*( c1*e_0_2_1 &
30772  +c3*e_1_2_1&
30773  +4*e_2_2_1 &
30774  -2*e_1_2_0)
30775  e_2_3_1 = zeta*( c1*e_1_2_1 &
30776  +c2*e_2_2_1&
30777  +6*e_3_2_1 &
30778  -4*e_2_1_1)
30779  e_2_2_2 = zetb*( c1*e_1_2_1 &
30780  +c3*e_2_2_1&
30781  +6*e_3_2_1 &
30782  -2*e_2_2_0)
30783  e_3_3_1 = zeta*( c1*e_2_2_1 &
30784  +c2*e_3_2_1&
30785 
30786  )
30787  e_3_2_2 = zetb*( c1*e_2_2_1 &
30788  +c3*e_3_2_1&
30789 
30790  )
30791  e_4_3_1 = zeta*( c1*e_3_2_1 &
30792 
30793 
30794  )
30795  e_4_2_2 = zetb*( c1*e_3_2_1 &
30796 
30797 
30798  )
30799  e_0_3_2 = zetb*( &
30800  +c3*e_0_3_1&
30801  +2*e_1_3_1 &
30802  -2*e_0_3_0)
30803  e_1_3_2 = zetb*( c1*e_0_3_1 &
30804  +c3*e_1_3_1&
30805  +4*e_2_3_1 &
30806  -2*e_1_3_0)
30807  e_2_3_2 = zetb*( c1*e_1_3_1 &
30808  +c3*e_2_3_1&
30809  +6*e_3_3_1 &
30810  -2*e_2_3_0)
30811  e_3_3_2 = zetb*( c1*e_2_3_1 &
30812  +c3*e_3_3_1&
30813  +8*e_4_3_1 &
30814  -2*e_3_3_0)
30815  e_4_3_2 = zetb*( c1*e_3_3_1 &
30816  +c3*e_4_3_1&
30817 
30818  )
30819  e_5_3_2 = zetb*( c1*e_4_3_1 &
30820 
30821 
30822  )
30823  e_0_1_2 = zeta*( &
30824  +c2*e_0_0_2&
30825  +2*e_1_0_2 &
30826  )
30827  e_0_0_3 = zetb*( &
30828  +c3*e_0_0_2&
30829  +2*e_1_0_2 &
30830  -4*e_0_0_1)
30831  e_1_1_2 = zeta*( c1*e_0_0_2 &
30832  +c2*e_1_0_2&
30833  +4*e_2_0_2 &
30834  )
30835  e_1_0_3 = zetb*( c1*e_0_0_2 &
30836  +c3*e_1_0_2&
30837  +4*e_2_0_2 &
30838  -4*e_1_0_1)
30839  e_2_1_2 = zeta*( c1*e_1_0_2 &
30840  +c2*e_2_0_2&
30841 
30842  )
30843  e_2_0_3 = zetb*( c1*e_1_0_2 &
30844  +c3*e_2_0_2&
30845 
30846  )
30847  e_3_1_2 = zeta*( c1*e_2_0_2 &
30848 
30849 
30850  )
30851  e_3_0_3 = zetb*( c1*e_2_0_2 &
30852 
30853 
30854  )
30855  e_0_2_2 = zeta*( &
30856  +c2*e_0_1_2&
30857  +2*e_1_1_2 &
30858  -2*e_0_0_2)
30859  e_0_1_3 = zetb*( &
30860  +c3*e_0_1_2&
30861  +2*e_1_1_2 &
30862  -4*e_0_1_1)
30863  e_1_2_2 = zeta*( c1*e_0_1_2 &
30864  +c2*e_1_1_2&
30865  +4*e_2_1_2 &
30866  -2*e_1_0_2)
30867  e_1_1_3 = zetb*( c1*e_0_1_2 &
30868  +c3*e_1_1_2&
30869  +4*e_2_1_2 &
30870  -4*e_1_1_1)
30871  e_2_2_2 = zeta*( c1*e_1_1_2 &
30872  +c2*e_2_1_2&
30873  +6*e_3_1_2 &
30874  -2*e_2_0_2)
30875  e_2_1_3 = zetb*( c1*e_1_1_2 &
30876  +c3*e_2_1_2&
30877  +6*e_3_1_2 &
30878  -4*e_2_1_1)
30879  e_3_2_2 = zeta*( c1*e_2_1_2 &
30880  +c2*e_3_1_2&
30881 
30882  )
30883  e_3_1_3 = zetb*( c1*e_2_1_2 &
30884  +c3*e_3_1_2&
30885 
30886  )
30887  e_4_2_2 = zeta*( c1*e_3_1_2 &
30888 
30889 
30890  )
30891  e_4_1_3 = zetb*( c1*e_3_1_2 &
30892 
30893 
30894  )
30895  e_0_3_2 = zeta*( &
30896  +c2*e_0_2_2&
30897  +2*e_1_2_2 &
30898  -4*e_0_1_2)
30899  e_0_2_3 = zetb*( &
30900  +c3*e_0_2_2&
30901  +2*e_1_2_2 &
30902  -4*e_0_2_1)
30903  e_1_3_2 = zeta*( c1*e_0_2_2 &
30904  +c2*e_1_2_2&
30905  +4*e_2_2_2 &
30906  -4*e_1_1_2)
30907  e_1_2_3 = zetb*( c1*e_0_2_2 &
30908  +c3*e_1_2_2&
30909  +4*e_2_2_2 &
30910  -4*e_1_2_1)
30911  e_2_3_2 = zeta*( c1*e_1_2_2 &
30912  +c2*e_2_2_2&
30913  +6*e_3_2_2 &
30914  -4*e_2_1_2)
30915  e_2_2_3 = zetb*( c1*e_1_2_2 &
30916  +c3*e_2_2_2&
30917  +6*e_3_2_2 &
30918  -4*e_2_2_1)
30919  e_3_3_2 = zeta*( c1*e_2_2_2 &
30920  +c2*e_3_2_2&
30921  +8*e_4_2_2 &
30922  -4*e_3_1_2)
30923  e_3_2_3 = zetb*( c1*e_2_2_2 &
30924  +c3*e_3_2_2&
30925  +8*e_4_2_2 &
30926  -4*e_3_2_1)
30927  e_4_3_2 = zeta*( c1*e_3_2_2 &
30928  +c2*e_4_2_2&
30929 
30930  )
30931  e_4_2_3 = zetb*( c1*e_3_2_2 &
30932  +c3*e_4_2_2&
30933 
30934  )
30935  e_5_3_2 = zeta*( c1*e_4_2_2 &
30936 
30937 
30938  )
30939  e_5_2_3 = zetb*( c1*e_4_2_2 &
30940 
30941 
30942  )
30943  e_0_3_3 = zetb*( &
30944  +c3*e_0_3_2&
30945  +2*e_1_3_2 &
30946  -4*e_0_3_1)
30947  e_1_3_3 = zetb*( c1*e_0_3_2 &
30948  +c3*e_1_3_2&
30949  +4*e_2_3_2 &
30950  -4*e_1_3_1)
30951  e_2_3_3 = zetb*( c1*e_1_3_2 &
30952  +c3*e_2_3_2&
30953  +6*e_3_3_2 &
30954  -4*e_2_3_1)
30955  e_3_3_3 = zetb*( c1*e_2_3_2 &
30956  +c3*e_3_3_2&
30957  +8*e_4_3_2 &
30958  -4*e_3_3_1)
30959  e_4_3_3 = zetb*( c1*e_3_3_2 &
30960  +c3*e_4_3_2&
30961  +10*e_5_3_2 &
30962  -4*e_4_3_1)
30963  e_5_3_3 = zetb*( c1*e_4_3_2 &
30964  +c3*e_5_3_2&
30965 
30966  )
30967  e_6_3_3 = zetb*( c1*e_5_3_2 &
30968 
30969 
30970  )
30971  e_0_1_3 = zeta*( &
30972  +c2*e_0_0_3&
30973  +2*e_1_0_3 &
30974  )
30975  e_1_1_3 = zeta*( c1*e_0_0_3 &
30976  +c2*e_1_0_3&
30977  +4*e_2_0_3 &
30978  )
30979  e_2_1_3 = zeta*( c1*e_1_0_3 &
30980  +c2*e_2_0_3&
30981  +6*e_3_0_3 &
30982  )
30983  e_3_1_3 = zeta*( c1*e_2_0_3 &
30984  +c2*e_3_0_3&
30985 
30986  )
30987  e_4_1_3 = zeta*( c1*e_3_0_3 &
30988 
30989 
30990  )
30991  e_0_2_3 = zeta*( &
30992  +c2*e_0_1_3&
30993  +2*e_1_1_3 &
30994  -2*e_0_0_3)
30995  e_1_2_3 = zeta*( c1*e_0_1_3 &
30996  +c2*e_1_1_3&
30997  +4*e_2_1_3 &
30998  -2*e_1_0_3)
30999  e_2_2_3 = zeta*( c1*e_1_1_3 &
31000  +c2*e_2_1_3&
31001  +6*e_3_1_3 &
31002  -2*e_2_0_3)
31003  e_3_2_3 = zeta*( c1*e_2_1_3 &
31004  +c2*e_3_1_3&
31005  +8*e_4_1_3 &
31006  -2*e_3_0_3)
31007  e_4_2_3 = zeta*( c1*e_3_1_3 &
31008  +c2*e_4_1_3&
31009 
31010  )
31011  e_5_2_3 = zeta*( c1*e_4_1_3 &
31012 
31013 
31014  )
31015  e_0_3_3 = zeta*( &
31016  +c2*e_0_2_3&
31017  +2*e_1_2_3 &
31018  -4*e_0_1_3)
31019  e_1_3_3 = zeta*( c1*e_0_2_3 &
31020  +c2*e_1_2_3&
31021  +4*e_2_2_3 &
31022  -4*e_1_1_3)
31023  e_2_3_3 = zeta*( c1*e_1_2_3 &
31024  +c2*e_2_2_3&
31025  +6*e_3_2_3 &
31026  -4*e_2_1_3)
31027  e_3_3_3 = zeta*( c1*e_2_2_3 &
31028  +c2*e_3_2_3&
31029  +8*e_4_2_3 &
31030  -4*e_3_1_3)
31031  e_4_3_3 = zeta*( c1*e_3_2_3 &
31032  +c2*e_4_2_3&
31033  +10*e_5_2_3 &
31034  -4*e_4_1_3)
31035  e_5_3_3 = zeta*( c1*e_4_2_3 &
31036  +c2*e_5_2_3&
31037 
31038  )
31039  e_6_3_3 = zeta*( c1*e_5_2_3 &
31040 
31041 
31042  )
31043 
31044  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
31045  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
31046  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
31047  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
31048  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
31049  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
31050  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
31051  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
31052  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
31053  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
31054  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
31055  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
31056  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
31057  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
31058  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
31059  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
31060  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
31061  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
31062  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
31063  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
31064  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
31065  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
31066  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
31067  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
31068  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
31069  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
31070  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
31071  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
31072  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
31073  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
31074  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
31075  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
31076  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
31077  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
31078  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
31079  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
31080  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
31081  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
31082  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
31083  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
31084  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
31085  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
31086  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
31087  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
31088  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
31089  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
31090  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
31091  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
31092  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
31093  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
31094  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
31095  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
31096  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
31097  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
31098  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
31099  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
31100  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
31101  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
31102  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
31103  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
31104  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
31105  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
31106  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
31107  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
31108  r1 = r1 + dr
31109  END DO
31110 
31111  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
31112  END SUBROUTINE
31113  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_3_1_exp_0 ( &
31114  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
31115  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
31116  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
31117  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
31118  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
31119  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
31120  r_pow_t, r_tmp, rr1_delta, rr2_delta
31121 
31122  REAL(kind=dp) :: c1, c2, c3
31123  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
31124  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
31125  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
31126  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
31127  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
31128  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
31129  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
31130  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
31131  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
31132  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
31133  & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3
31134 
31135 
31136  dr = lgth
31137  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
31138 
31139  s_r(:, :, :) = 0.0_dp
31140 
31141  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
31142 
31143  h_to_c_0_0 = sqrt(alpha/pi)
31144 
31145  h_to_c_0_1 = 0.0_dp
31146  h_to_c_1_1 = +2*alpha*h_to_c_0_0
31147  h_to_c_0_2 = -1*h_to_c_1_1
31148  h_to_c_1_2 = +2*alpha*h_to_c_0_1
31149  h_to_c_2_2 = +2*alpha*h_to_c_1_1
31150  h_to_c_0_3 = -1*h_to_c_1_2
31151  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
31152  h_to_c_2_3 = +2*alpha*h_to_c_1_2
31153  h_to_c_3_3 = +2*alpha*h_to_c_2_2
31154  h_to_c_0_4 = -1*h_to_c_1_3
31155  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
31156  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
31157  h_to_c_3_4 = +2*alpha*h_to_c_2_3
31158  h_to_c_4_4 = +2*alpha*h_to_c_3_3
31159  h_to_c_0_5 = -1*h_to_c_1_4
31160  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
31161  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
31162  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
31163  h_to_c_4_5 = +2*alpha*h_to_c_3_4
31164  h_to_c_5_5 = +2*alpha*h_to_c_4_4
31165  h_to_c_0_6 = -1*h_to_c_1_5
31166  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
31167  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
31168  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
31169  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
31170  h_to_c_5_6 = +2*alpha*h_to_c_4_5
31171  h_to_c_6_6 = +2*alpha*h_to_c_5_5
31172  h_to_c_0_7 = -1*h_to_c_1_6
31173  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
31174  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
31175  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
31176  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
31177  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
31178  h_to_c_6_7 = +2*alpha*h_to_c_5_6
31179  h_to_c_7_7 = +2*alpha*h_to_c_6_6
31180 
31181 
31182  rr1_delta = (ra - rb)/dr
31183 
31184  rr1_l = ceiling(-r_c(1) + rr1_delta)
31185  rr1_r = floor(r_c(1) + rr1_delta)
31186 
31187  r1 = rr1_l*dr
31188 
31189  alpha_e = zeta*zetb/(zeta + zetb)
31190 
31191  DO rr1 = rr1_l, rr1_r
31192  s_r_t_0 = 0.0_dp
31193  s_r_t2_0 = 0.0_dp
31194  s_r_t_1 = 0.0_dp
31195  s_r_t2_1 = 0.0_dp
31196  s_r_t_2 = 0.0_dp
31197  s_r_t2_2 = 0.0_dp
31198  s_r_t_3 = 0.0_dp
31199  s_r_t2_3 = 0.0_dp
31200  s_r_t_4 = 0.0_dp
31201  s_r_t2_4 = 0.0_dp
31202  s_r_t_5 = 0.0_dp
31203  s_r_t2_5 = 0.0_dp
31204  s_r_t_6 = 0.0_dp
31205  s_r_t2_6 = 0.0_dp
31206  s_r_t_7 = 0.0_dp
31207  s_r_t2_7 = 0.0_dp
31208  r_tmp = r_offset + r1*zeta/(zeta + zetb)
31209  rr2_delta = -r_tmp/dr
31210 
31211  rr2_l = ceiling(-r_c(2) + rr2_delta)
31212  rr2_r = floor(r_c(2) + rr2_delta)
31213 
31214  r = r_tmp + (rr2_l)*dr
31215 
31216 
31217  DO rr2 = rr2_l, rr2_r
31218  r_pow_t = 1.0_dp
31219  exp2_rsq = exp(-alpha*r*r)
31220  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
31221  r_pow_t = r_pow_t*r
31222  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
31223  r_pow_t = r_pow_t*r
31224  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
31225  r_pow_t = r_pow_t*r
31226  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
31227  r_pow_t = r_pow_t*r
31228  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
31229  r_pow_t = r_pow_t*r
31230  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
31231  r_pow_t = r_pow_t*r
31232  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
31233  r_pow_t = r_pow_t*r
31234  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
31235 
31236  r = r + dr
31237  END DO
31238 
31239  ! C --> H
31240  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
31241  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
31242  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
31243  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
31244  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
31245  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
31246  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
31247  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
31248  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
31249  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
31250  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
31251  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
31252  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
31253  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
31254  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
31255  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
31256  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
31257  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
31258  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
31259  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
31260  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
31261  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
31262  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
31263  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
31264  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
31265  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
31266  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
31267  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
31268  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
31269  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
31270  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
31271  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
31272  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
31273  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
31274  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
31275  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
31276 
31277  ! H --> HH
31278  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
31279 
31280  c1 = 1.0_dp/(zeta + zetb)
31281  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
31282  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
31283 
31284  e_0_1_0 = zeta*( &
31285  +c2*e_0_0_0&
31286 
31287  )
31288  e_0_0_1 = zetb*( &
31289  +c3*e_0_0_0&
31290 
31291  )
31292  e_1_1_0 = zeta*( c1*e_0_0_0 &
31293 
31294 
31295  )
31296  e_1_0_1 = zetb*( c1*e_0_0_0 &
31297 
31298 
31299  )
31300  e_0_2_0 = zeta*( &
31301  +c2*e_0_1_0&
31302  +2*e_1_1_0 &
31303  -2*e_0_0_0)
31304  e_0_1_1 = zetb*( &
31305  +c3*e_0_1_0&
31306  +2*e_1_1_0 &
31307  )
31308  e_1_2_0 = zeta*( c1*e_0_1_0 &
31309  +c2*e_1_1_0&
31310 
31311  )
31312  e_1_1_1 = zetb*( c1*e_0_1_0 &
31313  +c3*e_1_1_0&
31314 
31315  )
31316  e_2_2_0 = zeta*( c1*e_1_1_0 &
31317 
31318 
31319  )
31320  e_2_1_1 = zetb*( c1*e_1_1_0 &
31321 
31322 
31323  )
31324  e_0_3_0 = zeta*( &
31325  +c2*e_0_2_0&
31326  +2*e_1_2_0 &
31327  -4*e_0_1_0)
31328  e_0_2_1 = zetb*( &
31329  +c3*e_0_2_0&
31330  +2*e_1_2_0 &
31331  )
31332  e_1_3_0 = zeta*( c1*e_0_2_0 &
31333  +c2*e_1_2_0&
31334  +4*e_2_2_0 &
31335  -4*e_1_1_0)
31336  e_1_2_1 = zetb*( c1*e_0_2_0 &
31337  +c3*e_1_2_0&
31338  +4*e_2_2_0 &
31339  )
31340  e_2_3_0 = zeta*( c1*e_1_2_0 &
31341  +c2*e_2_2_0&
31342 
31343  )
31344  e_2_2_1 = zetb*( c1*e_1_2_0 &
31345  +c3*e_2_2_0&
31346 
31347  )
31348  e_3_3_0 = zeta*( c1*e_2_2_0 &
31349 
31350 
31351  )
31352  e_3_2_1 = zetb*( c1*e_2_2_0 &
31353 
31354 
31355  )
31356  e_0_3_1 = zetb*( &
31357  +c3*e_0_3_0&
31358  +2*e_1_3_0 &
31359  )
31360  e_1_3_1 = zetb*( c1*e_0_3_0 &
31361  +c3*e_1_3_0&
31362  +4*e_2_3_0 &
31363  )
31364  e_2_3_1 = zetb*( c1*e_1_3_0 &
31365  +c3*e_2_3_0&
31366  +6*e_3_3_0 &
31367  )
31368  e_3_3_1 = zetb*( c1*e_2_3_0 &
31369  +c3*e_3_3_0&
31370 
31371  )
31372  e_4_3_1 = zetb*( c1*e_3_3_0 &
31373 
31374 
31375  )
31376  e_0_1_1 = zeta*( &
31377  +c2*e_0_0_1&
31378  +2*e_1_0_1 &
31379  )
31380  e_0_0_2 = zetb*( &
31381  +c3*e_0_0_1&
31382  +2*e_1_0_1 &
31383  -2*e_0_0_0)
31384  e_1_1_1 = zeta*( c1*e_0_0_1 &
31385  +c2*e_1_0_1&
31386 
31387  )
31388  e_1_0_2 = zetb*( c1*e_0_0_1 &
31389  +c3*e_1_0_1&
31390 
31391  )
31392  e_2_1_1 = zeta*( c1*e_1_0_1 &
31393 
31394 
31395  )
31396  e_2_0_2 = zetb*( c1*e_1_0_1 &
31397 
31398 
31399  )
31400  e_0_2_1 = zeta*( &
31401  +c2*e_0_1_1&
31402  +2*e_1_1_1 &
31403  -2*e_0_0_1)
31404  e_0_1_2 = zetb*( &
31405  +c3*e_0_1_1&
31406  +2*e_1_1_1 &
31407  -2*e_0_1_0)
31408  e_1_2_1 = zeta*( c1*e_0_1_1 &
31409  +c2*e_1_1_1&
31410  +4*e_2_1_1 &
31411  -2*e_1_0_1)
31412  e_1_1_2 = zetb*( c1*e_0_1_1 &
31413  +c3*e_1_1_1&
31414  +4*e_2_1_1 &
31415  -2*e_1_1_0)
31416  e_2_2_1 = zeta*( c1*e_1_1_1 &
31417  +c2*e_2_1_1&
31418 
31419  )
31420  e_2_1_2 = zetb*( c1*e_1_1_1 &
31421  +c3*e_2_1_1&
31422 
31423  )
31424  e_3_2_1 = zeta*( c1*e_2_1_1 &
31425 
31426 
31427  )
31428  e_3_1_2 = zetb*( c1*e_2_1_1 &
31429 
31430 
31431  )
31432  e_0_3_1 = zeta*( &
31433  +c2*e_0_2_1&
31434  +2*e_1_2_1 &
31435  -4*e_0_1_1)
31436  e_0_2_2 = zetb*( &
31437  +c3*e_0_2_1&
31438  +2*e_1_2_1 &
31439  -2*e_0_2_0)
31440  e_1_3_1 = zeta*( c1*e_0_2_1 &
31441  +c2*e_1_2_1&
31442  +4*e_2_2_1 &
31443  -4*e_1_1_1)
31444  e_1_2_2 = zetb*( c1*e_0_2_1 &
31445  +c3*e_1_2_1&
31446  +4*e_2_2_1 &
31447  -2*e_1_2_0)
31448  e_2_3_1 = zeta*( c1*e_1_2_1 &
31449  +c2*e_2_2_1&
31450  +6*e_3_2_1 &
31451  -4*e_2_1_1)
31452  e_2_2_2 = zetb*( c1*e_1_2_1 &
31453  +c3*e_2_2_1&
31454  +6*e_3_2_1 &
31455  -2*e_2_2_0)
31456  e_3_3_1 = zeta*( c1*e_2_2_1 &
31457  +c2*e_3_2_1&
31458 
31459  )
31460  e_3_2_2 = zetb*( c1*e_2_2_1 &
31461  +c3*e_3_2_1&
31462 
31463  )
31464  e_4_3_1 = zeta*( c1*e_3_2_1 &
31465 
31466 
31467  )
31468  e_4_2_2 = zetb*( c1*e_3_2_1 &
31469 
31470 
31471  )
31472  e_0_3_2 = zetb*( &
31473  +c3*e_0_3_1&
31474  +2*e_1_3_1 &
31475  -2*e_0_3_0)
31476  e_1_3_2 = zetb*( c1*e_0_3_1 &
31477  +c3*e_1_3_1&
31478  +4*e_2_3_1 &
31479  -2*e_1_3_0)
31480  e_2_3_2 = zetb*( c1*e_1_3_1 &
31481  +c3*e_2_3_1&
31482  +6*e_3_3_1 &
31483  -2*e_2_3_0)
31484  e_3_3_2 = zetb*( c1*e_2_3_1 &
31485  +c3*e_3_3_1&
31486  +8*e_4_3_1 &
31487  -2*e_3_3_0)
31488  e_4_3_2 = zetb*( c1*e_3_3_1 &
31489  +c3*e_4_3_1&
31490 
31491  )
31492  e_5_3_2 = zetb*( c1*e_4_3_1 &
31493 
31494 
31495  )
31496  e_0_1_2 = zeta*( &
31497  +c2*e_0_0_2&
31498  +2*e_1_0_2 &
31499  )
31500  e_0_0_3 = zetb*( &
31501  +c3*e_0_0_2&
31502  +2*e_1_0_2 &
31503  -4*e_0_0_1)
31504  e_1_1_2 = zeta*( c1*e_0_0_2 &
31505  +c2*e_1_0_2&
31506  +4*e_2_0_2 &
31507  )
31508  e_1_0_3 = zetb*( c1*e_0_0_2 &
31509  +c3*e_1_0_2&
31510  +4*e_2_0_2 &
31511  -4*e_1_0_1)
31512  e_2_1_2 = zeta*( c1*e_1_0_2 &
31513  +c2*e_2_0_2&
31514 
31515  )
31516  e_2_0_3 = zetb*( c1*e_1_0_2 &
31517  +c3*e_2_0_2&
31518 
31519  )
31520  e_3_1_2 = zeta*( c1*e_2_0_2 &
31521 
31522 
31523  )
31524  e_3_0_3 = zetb*( c1*e_2_0_2 &
31525 
31526 
31527  )
31528  e_0_2_2 = zeta*( &
31529  +c2*e_0_1_2&
31530  +2*e_1_1_2 &
31531  -2*e_0_0_2)
31532  e_0_1_3 = zetb*( &
31533  +c3*e_0_1_2&
31534  +2*e_1_1_2 &
31535  -4*e_0_1_1)
31536  e_1_2_2 = zeta*( c1*e_0_1_2 &
31537  +c2*e_1_1_2&
31538  +4*e_2_1_2 &
31539  -2*e_1_0_2)
31540  e_1_1_3 = zetb*( c1*e_0_1_2 &
31541  +c3*e_1_1_2&
31542  +4*e_2_1_2 &
31543  -4*e_1_1_1)
31544  e_2_2_2 = zeta*( c1*e_1_1_2 &
31545  +c2*e_2_1_2&
31546  +6*e_3_1_2 &
31547  -2*e_2_0_2)
31548  e_2_1_3 = zetb*( c1*e_1_1_2 &
31549  +c3*e_2_1_2&
31550  +6*e_3_1_2 &
31551  -4*e_2_1_1)
31552  e_3_2_2 = zeta*( c1*e_2_1_2 &
31553  +c2*e_3_1_2&
31554 
31555  )
31556  e_3_1_3 = zetb*( c1*e_2_1_2 &
31557  +c3*e_3_1_2&
31558 
31559  )
31560  e_4_2_2 = zeta*( c1*e_3_1_2 &
31561 
31562 
31563  )
31564  e_4_1_3 = zetb*( c1*e_3_1_2 &
31565 
31566 
31567  )
31568  e_0_3_2 = zeta*( &
31569  +c2*e_0_2_2&
31570  +2*e_1_2_2 &
31571  -4*e_0_1_2)
31572  e_0_2_3 = zetb*( &
31573  +c3*e_0_2_2&
31574  +2*e_1_2_2 &
31575  -4*e_0_2_1)
31576  e_1_3_2 = zeta*( c1*e_0_2_2 &
31577  +c2*e_1_2_2&
31578  +4*e_2_2_2 &
31579  -4*e_1_1_2)
31580  e_1_2_3 = zetb*( c1*e_0_2_2 &
31581  +c3*e_1_2_2&
31582  +4*e_2_2_2 &
31583  -4*e_1_2_1)
31584  e_2_3_2 = zeta*( c1*e_1_2_2 &
31585  +c2*e_2_2_2&
31586  +6*e_3_2_2 &
31587  -4*e_2_1_2)
31588  e_2_2_3 = zetb*( c1*e_1_2_2 &
31589  +c3*e_2_2_2&
31590  +6*e_3_2_2 &
31591  -4*e_2_2_1)
31592  e_3_3_2 = zeta*( c1*e_2_2_2 &
31593  +c2*e_3_2_2&
31594  +8*e_4_2_2 &
31595  -4*e_3_1_2)
31596  e_3_2_3 = zetb*( c1*e_2_2_2 &
31597  +c3*e_3_2_2&
31598  +8*e_4_2_2 &
31599  -4*e_3_2_1)
31600  e_4_3_2 = zeta*( c1*e_3_2_2 &
31601  +c2*e_4_2_2&
31602 
31603  )
31604  e_4_2_3 = zetb*( c1*e_3_2_2 &
31605  +c3*e_4_2_2&
31606 
31607  )
31608  e_5_3_2 = zeta*( c1*e_4_2_2 &
31609 
31610 
31611  )
31612  e_5_2_3 = zetb*( c1*e_4_2_2 &
31613 
31614 
31615  )
31616  e_0_3_3 = zetb*( &
31617  +c3*e_0_3_2&
31618  +2*e_1_3_2 &
31619  -4*e_0_3_1)
31620  e_1_3_3 = zetb*( c1*e_0_3_2 &
31621  +c3*e_1_3_2&
31622  +4*e_2_3_2 &
31623  -4*e_1_3_1)
31624  e_2_3_3 = zetb*( c1*e_1_3_2 &
31625  +c3*e_2_3_2&
31626  +6*e_3_3_2 &
31627  -4*e_2_3_1)
31628  e_3_3_3 = zetb*( c1*e_2_3_2 &
31629  +c3*e_3_3_2&
31630  +8*e_4_3_2 &
31631  -4*e_3_3_1)
31632  e_4_3_3 = zetb*( c1*e_3_3_2 &
31633  +c3*e_4_3_2&
31634  +10*e_5_3_2 &
31635  -4*e_4_3_1)
31636  e_5_3_3 = zetb*( c1*e_4_3_2 &
31637  +c3*e_5_3_2&
31638 
31639  )
31640  e_6_3_3 = zetb*( c1*e_5_3_2 &
31641 
31642 
31643  )
31644  e_0_1_3 = zeta*( &
31645  +c2*e_0_0_3&
31646  +2*e_1_0_3 &
31647  )
31648  e_1_1_3 = zeta*( c1*e_0_0_3 &
31649  +c2*e_1_0_3&
31650  +4*e_2_0_3 &
31651  )
31652  e_2_1_3 = zeta*( c1*e_1_0_3 &
31653  +c2*e_2_0_3&
31654  +6*e_3_0_3 &
31655  )
31656  e_3_1_3 = zeta*( c1*e_2_0_3 &
31657  +c2*e_3_0_3&
31658 
31659  )
31660  e_4_1_3 = zeta*( c1*e_3_0_3 &
31661 
31662 
31663  )
31664  e_0_2_3 = zeta*( &
31665  +c2*e_0_1_3&
31666  +2*e_1_1_3 &
31667  -2*e_0_0_3)
31668  e_1_2_3 = zeta*( c1*e_0_1_3 &
31669  +c2*e_1_1_3&
31670  +4*e_2_1_3 &
31671  -2*e_1_0_3)
31672  e_2_2_3 = zeta*( c1*e_1_1_3 &
31673  +c2*e_2_1_3&
31674  +6*e_3_1_3 &
31675  -2*e_2_0_3)
31676  e_3_2_3 = zeta*( c1*e_2_1_3 &
31677  +c2*e_3_1_3&
31678  +8*e_4_1_3 &
31679  -2*e_3_0_3)
31680  e_4_2_3 = zeta*( c1*e_3_1_3 &
31681  +c2*e_4_1_3&
31682 
31683  )
31684  e_5_2_3 = zeta*( c1*e_4_1_3 &
31685 
31686 
31687  )
31688  e_0_3_3 = zeta*( &
31689  +c2*e_0_2_3&
31690  +2*e_1_2_3 &
31691  -4*e_0_1_3)
31692  e_1_3_3 = zeta*( c1*e_0_2_3 &
31693  +c2*e_1_2_3&
31694  +4*e_2_2_3 &
31695  -4*e_1_1_3)
31696  e_2_3_3 = zeta*( c1*e_1_2_3 &
31697  +c2*e_2_2_3&
31698  +6*e_3_2_3 &
31699  -4*e_2_1_3)
31700  e_3_3_3 = zeta*( c1*e_2_2_3 &
31701  +c2*e_3_2_3&
31702  +8*e_4_2_3 &
31703  -4*e_3_1_3)
31704  e_4_3_3 = zeta*( c1*e_3_2_3 &
31705  +c2*e_4_2_3&
31706  +10*e_5_2_3 &
31707  -4*e_4_1_3)
31708  e_5_3_3 = zeta*( c1*e_4_2_3 &
31709  +c2*e_5_2_3&
31710 
31711  )
31712  e_6_3_3 = zeta*( c1*e_5_2_3 &
31713 
31714 
31715  )
31716 
31717  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
31718  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
31719  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
31720  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
31721  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
31722  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
31723  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
31724  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
31725  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
31726  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
31727  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
31728  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
31729  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
31730  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
31731  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
31732  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
31733  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
31734  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
31735  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
31736  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
31737  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
31738  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
31739  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
31740  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
31741  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
31742  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
31743  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
31744  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
31745  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
31746  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
31747  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
31748  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
31749  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
31750  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
31751  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
31752  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
31753  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
31754  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
31755  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
31756  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
31757  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
31758  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
31759  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
31760  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
31761  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
31762  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
31763  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
31764  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
31765  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
31766  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
31767  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
31768  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
31769  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
31770  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
31771  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
31772  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
31773  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
31774  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
31775  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
31776  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
31777  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
31778  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
31779  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
31780  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
31781  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
31782  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
31783  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
31784  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
31785  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
31786  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
31787  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
31788  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
31789  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
31790  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
31791  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
31792  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
31793  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
31794  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
31795  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
31796  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
31797  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
31798  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
31799  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
31800  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
31801  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
31802  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
31803  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
31804  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
31805  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
31806  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
31807  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
31808  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
31809  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
31810  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
31811  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
31812  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
31813  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
31814  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
31815  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
31816  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
31817  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
31818  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
31819  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
31820  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
31821  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
31822  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
31823  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
31824  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
31825  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
31826  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
31827  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
31828  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
31829  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
31830  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
31831  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
31832  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
31833  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
31834  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
31835  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
31836  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
31837  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
31838  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
31839  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
31840  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
31841  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
31842  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
31843  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
31844  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
31845  r1 = r1 + dr
31846  END DO
31847 
31848  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
31849  END SUBROUTINE
31850  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_3_2_exp_0 ( &
31851  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
31852  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
31853  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
31854  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
31855  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
31856  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
31857  r_pow_t, r_tmp, rr1_delta, rr2_delta
31858 
31859  REAL(kind=dp) :: c1, c2, c3
31860  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
31861  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
31862  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
31863  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
31864  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
31865  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
31866  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
31867  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
31868  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
31869  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
31870  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
31871  & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3
31872 
31873 
31874  dr = lgth
31875  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
31876 
31877  s_r(:, :, :) = 0.0_dp
31878 
31879  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
31880 
31881  h_to_c_0_0 = sqrt(alpha/pi)
31882 
31883  h_to_c_0_1 = 0.0_dp
31884  h_to_c_1_1 = +2*alpha*h_to_c_0_0
31885  h_to_c_0_2 = -1*h_to_c_1_1
31886  h_to_c_1_2 = +2*alpha*h_to_c_0_1
31887  h_to_c_2_2 = +2*alpha*h_to_c_1_1
31888  h_to_c_0_3 = -1*h_to_c_1_2
31889  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
31890  h_to_c_2_3 = +2*alpha*h_to_c_1_2
31891  h_to_c_3_3 = +2*alpha*h_to_c_2_2
31892  h_to_c_0_4 = -1*h_to_c_1_3
31893  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
31894  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
31895  h_to_c_3_4 = +2*alpha*h_to_c_2_3
31896  h_to_c_4_4 = +2*alpha*h_to_c_3_3
31897  h_to_c_0_5 = -1*h_to_c_1_4
31898  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
31899  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
31900  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
31901  h_to_c_4_5 = +2*alpha*h_to_c_3_4
31902  h_to_c_5_5 = +2*alpha*h_to_c_4_4
31903  h_to_c_0_6 = -1*h_to_c_1_5
31904  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
31905  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
31906  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
31907  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
31908  h_to_c_5_6 = +2*alpha*h_to_c_4_5
31909  h_to_c_6_6 = +2*alpha*h_to_c_5_5
31910  h_to_c_0_7 = -1*h_to_c_1_6
31911  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
31912  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
31913  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
31914  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
31915  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
31916  h_to_c_6_7 = +2*alpha*h_to_c_5_6
31917  h_to_c_7_7 = +2*alpha*h_to_c_6_6
31918  h_to_c_0_8 = -1*h_to_c_1_7
31919  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
31920  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
31921  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
31922  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
31923  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
31924  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
31925  h_to_c_7_8 = +2*alpha*h_to_c_6_7
31926  h_to_c_8_8 = +2*alpha*h_to_c_7_7
31927 
31928 
31929  rr1_delta = (ra - rb)/dr
31930 
31931  rr1_l = ceiling(-r_c(1) + rr1_delta)
31932  rr1_r = floor(r_c(1) + rr1_delta)
31933 
31934  r1 = rr1_l*dr
31935 
31936  alpha_e = zeta*zetb/(zeta + zetb)
31937 
31938  DO rr1 = rr1_l, rr1_r
31939  s_r_t_0 = 0.0_dp
31940  s_r_t2_0 = 0.0_dp
31941  s_r_t_1 = 0.0_dp
31942  s_r_t2_1 = 0.0_dp
31943  s_r_t_2 = 0.0_dp
31944  s_r_t2_2 = 0.0_dp
31945  s_r_t_3 = 0.0_dp
31946  s_r_t2_3 = 0.0_dp
31947  s_r_t_4 = 0.0_dp
31948  s_r_t2_4 = 0.0_dp
31949  s_r_t_5 = 0.0_dp
31950  s_r_t2_5 = 0.0_dp
31951  s_r_t_6 = 0.0_dp
31952  s_r_t2_6 = 0.0_dp
31953  s_r_t_7 = 0.0_dp
31954  s_r_t2_7 = 0.0_dp
31955  s_r_t_8 = 0.0_dp
31956  s_r_t2_8 = 0.0_dp
31957  r_tmp = r_offset + r1*zeta/(zeta + zetb)
31958  rr2_delta = -r_tmp/dr
31959 
31960  rr2_l = ceiling(-r_c(2) + rr2_delta)
31961  rr2_r = floor(r_c(2) + rr2_delta)
31962 
31963  r = r_tmp + (rr2_l)*dr
31964 
31965 
31966  DO rr2 = rr2_l, rr2_r
31967  r_pow_t = 1.0_dp
31968  exp2_rsq = exp(-alpha*r*r)
31969  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
31970  r_pow_t = r_pow_t*r
31971  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
31972  r_pow_t = r_pow_t*r
31973  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
31974  r_pow_t = r_pow_t*r
31975  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
31976  r_pow_t = r_pow_t*r
31977  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
31978  r_pow_t = r_pow_t*r
31979  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
31980  r_pow_t = r_pow_t*r
31981  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
31982  r_pow_t = r_pow_t*r
31983  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
31984  r_pow_t = r_pow_t*r
31985  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
31986 
31987  r = r + dr
31988  END DO
31989 
31990  ! C --> H
31991  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
31992  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
31993  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
31994  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
31995  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
31996  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
31997  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
31998  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
31999  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
32000  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
32001  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
32002  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
32003  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
32004  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
32005  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
32006  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
32007  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
32008  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
32009  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
32010  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
32011  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
32012  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
32013  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
32014  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
32015  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
32016  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
32017  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
32018  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
32019  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
32020  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
32021  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
32022  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
32023  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
32024  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
32025  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
32026  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
32027  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
32028  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
32029  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
32030  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
32031  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
32032  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
32033  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
32034  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
32035  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
32036 
32037  ! H --> HH
32038  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
32039 
32040  c1 = 1.0_dp/(zeta + zetb)
32041  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
32042  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
32043 
32044  e_0_1_0 = zeta*( &
32045  +c2*e_0_0_0&
32046 
32047  )
32048  e_0_0_1 = zetb*( &
32049  +c3*e_0_0_0&
32050 
32051  )
32052  e_1_1_0 = zeta*( c1*e_0_0_0 &
32053 
32054 
32055  )
32056  e_1_0_1 = zetb*( c1*e_0_0_0 &
32057 
32058 
32059  )
32060  e_0_2_0 = zeta*( &
32061  +c2*e_0_1_0&
32062  +2*e_1_1_0 &
32063  -2*e_0_0_0)
32064  e_0_1_1 = zetb*( &
32065  +c3*e_0_1_0&
32066  +2*e_1_1_0 &
32067  )
32068  e_1_2_0 = zeta*( c1*e_0_1_0 &
32069  +c2*e_1_1_0&
32070 
32071  )
32072  e_1_1_1 = zetb*( c1*e_0_1_0 &
32073  +c3*e_1_1_0&
32074 
32075  )
32076  e_2_2_0 = zeta*( c1*e_1_1_0 &
32077 
32078 
32079  )
32080  e_2_1_1 = zetb*( c1*e_1_1_0 &
32081 
32082 
32083  )
32084  e_0_3_0 = zeta*( &
32085  +c2*e_0_2_0&
32086  +2*e_1_2_0 &
32087  -4*e_0_1_0)
32088  e_0_2_1 = zetb*( &
32089  +c3*e_0_2_0&
32090  +2*e_1_2_0 &
32091  )
32092  e_1_3_0 = zeta*( c1*e_0_2_0 &
32093  +c2*e_1_2_0&
32094  +4*e_2_2_0 &
32095  -4*e_1_1_0)
32096  e_1_2_1 = zetb*( c1*e_0_2_0 &
32097  +c3*e_1_2_0&
32098  +4*e_2_2_0 &
32099  )
32100  e_2_3_0 = zeta*( c1*e_1_2_0 &
32101  +c2*e_2_2_0&
32102 
32103  )
32104  e_2_2_1 = zetb*( c1*e_1_2_0 &
32105  +c3*e_2_2_0&
32106 
32107  )
32108  e_3_3_0 = zeta*( c1*e_2_2_0 &
32109 
32110 
32111  )
32112  e_3_2_1 = zetb*( c1*e_2_2_0 &
32113 
32114 
32115  )
32116  e_0_3_1 = zetb*( &
32117  +c3*e_0_3_0&
32118  +2*e_1_3_0 &
32119  )
32120  e_1_3_1 = zetb*( c1*e_0_3_0 &
32121  +c3*e_1_3_0&
32122  +4*e_2_3_0 &
32123  )
32124  e_2_3_1 = zetb*( c1*e_1_3_0 &
32125  +c3*e_2_3_0&
32126  +6*e_3_3_0 &
32127  )
32128  e_3_3_1 = zetb*( c1*e_2_3_0 &
32129  +c3*e_3_3_0&
32130 
32131  )
32132  e_4_3_1 = zetb*( c1*e_3_3_0 &
32133 
32134 
32135  )
32136  e_0_1_1 = zeta*( &
32137  +c2*e_0_0_1&
32138  +2*e_1_0_1 &
32139  )
32140  e_0_0_2 = zetb*( &
32141  +c3*e_0_0_1&
32142  +2*e_1_0_1 &
32143  -2*e_0_0_0)
32144  e_1_1_1 = zeta*( c1*e_0_0_1 &
32145  +c2*e_1_0_1&
32146 
32147  )
32148  e_1_0_2 = zetb*( c1*e_0_0_1 &
32149  +c3*e_1_0_1&
32150 
32151  )
32152  e_2_1_1 = zeta*( c1*e_1_0_1 &
32153 
32154 
32155  )
32156  e_2_0_2 = zetb*( c1*e_1_0_1 &
32157 
32158 
32159  )
32160  e_0_2_1 = zeta*( &
32161  +c2*e_0_1_1&
32162  +2*e_1_1_1 &
32163  -2*e_0_0_1)
32164  e_0_1_2 = zetb*( &
32165  +c3*e_0_1_1&
32166  +2*e_1_1_1 &
32167  -2*e_0_1_0)
32168  e_1_2_1 = zeta*( c1*e_0_1_1 &
32169  +c2*e_1_1_1&
32170  +4*e_2_1_1 &
32171  -2*e_1_0_1)
32172  e_1_1_2 = zetb*( c1*e_0_1_1 &
32173  +c3*e_1_1_1&
32174  +4*e_2_1_1 &
32175  -2*e_1_1_0)
32176  e_2_2_1 = zeta*( c1*e_1_1_1 &
32177  +c2*e_2_1_1&
32178 
32179  )
32180  e_2_1_2 = zetb*( c1*e_1_1_1 &
32181  +c3*e_2_1_1&
32182 
32183  )
32184  e_3_2_1 = zeta*( c1*e_2_1_1 &
32185 
32186 
32187  )
32188  e_3_1_2 = zetb*( c1*e_2_1_1 &
32189 
32190 
32191  )
32192  e_0_3_1 = zeta*( &
32193  +c2*e_0_2_1&
32194  +2*e_1_2_1 &
32195  -4*e_0_1_1)
32196  e_0_2_2 = zetb*( &
32197  +c3*e_0_2_1&
32198  +2*e_1_2_1 &
32199  -2*e_0_2_0)
32200  e_1_3_1 = zeta*( c1*e_0_2_1 &
32201  +c2*e_1_2_1&
32202  +4*e_2_2_1 &
32203  -4*e_1_1_1)
32204  e_1_2_2 = zetb*( c1*e_0_2_1 &
32205  +c3*e_1_2_1&
32206  +4*e_2_2_1 &
32207  -2*e_1_2_0)
32208  e_2_3_1 = zeta*( c1*e_1_2_1 &
32209  +c2*e_2_2_1&
32210  +6*e_3_2_1 &
32211  -4*e_2_1_1)
32212  e_2_2_2 = zetb*( c1*e_1_2_1 &
32213  +c3*e_2_2_1&
32214  +6*e_3_2_1 &
32215  -2*e_2_2_0)
32216  e_3_3_1 = zeta*( c1*e_2_2_1 &
32217  +c2*e_3_2_1&
32218 
32219  )
32220  e_3_2_2 = zetb*( c1*e_2_2_1 &
32221  +c3*e_3_2_1&
32222 
32223  )
32224  e_4_3_1 = zeta*( c1*e_3_2_1 &
32225 
32226 
32227  )
32228  e_4_2_2 = zetb*( c1*e_3_2_1 &
32229 
32230 
32231  )
32232  e_0_3_2 = zetb*( &
32233  +c3*e_0_3_1&
32234  +2*e_1_3_1 &
32235  -2*e_0_3_0)
32236  e_1_3_2 = zetb*( c1*e_0_3_1 &
32237  +c3*e_1_3_1&
32238  +4*e_2_3_1 &
32239  -2*e_1_3_0)
32240  e_2_3_2 = zetb*( c1*e_1_3_1 &
32241  +c3*e_2_3_1&
32242  +6*e_3_3_1 &
32243  -2*e_2_3_0)
32244  e_3_3_2 = zetb*( c1*e_2_3_1 &
32245  +c3*e_3_3_1&
32246  +8*e_4_3_1 &
32247  -2*e_3_3_0)
32248  e_4_3_2 = zetb*( c1*e_3_3_1 &
32249  +c3*e_4_3_1&
32250 
32251  )
32252  e_5_3_2 = zetb*( c1*e_4_3_1 &
32253 
32254 
32255  )
32256  e_0_1_2 = zeta*( &
32257  +c2*e_0_0_2&
32258  +2*e_1_0_2 &
32259  )
32260  e_0_0_3 = zetb*( &
32261  +c3*e_0_0_2&
32262  +2*e_1_0_2 &
32263  -4*e_0_0_1)
32264  e_1_1_2 = zeta*( c1*e_0_0_2 &
32265  +c2*e_1_0_2&
32266  +4*e_2_0_2 &
32267  )
32268  e_1_0_3 = zetb*( c1*e_0_0_2 &
32269  +c3*e_1_0_2&
32270  +4*e_2_0_2 &
32271  -4*e_1_0_1)
32272  e_2_1_2 = zeta*( c1*e_1_0_2 &
32273  +c2*e_2_0_2&
32274 
32275  )
32276  e_2_0_3 = zetb*( c1*e_1_0_2 &
32277  +c3*e_2_0_2&
32278 
32279  )
32280  e_3_1_2 = zeta*( c1*e_2_0_2 &
32281 
32282 
32283  )
32284  e_3_0_3 = zetb*( c1*e_2_0_2 &
32285 
32286 
32287  )
32288  e_0_2_2 = zeta*( &
32289  +c2*e_0_1_2&
32290  +2*e_1_1_2 &
32291  -2*e_0_0_2)
32292  e_0_1_3 = zetb*( &
32293  +c3*e_0_1_2&
32294  +2*e_1_1_2 &
32295  -4*e_0_1_1)
32296  e_1_2_2 = zeta*( c1*e_0_1_2 &
32297  +c2*e_1_1_2&
32298  +4*e_2_1_2 &
32299  -2*e_1_0_2)
32300  e_1_1_3 = zetb*( c1*e_0_1_2 &
32301  +c3*e_1_1_2&
32302  +4*e_2_1_2 &
32303  -4*e_1_1_1)
32304  e_2_2_2 = zeta*( c1*e_1_1_2 &
32305  +c2*e_2_1_2&
32306  +6*e_3_1_2 &
32307  -2*e_2_0_2)
32308  e_2_1_3 = zetb*( c1*e_1_1_2 &
32309  +c3*e_2_1_2&
32310  +6*e_3_1_2 &
32311  -4*e_2_1_1)
32312  e_3_2_2 = zeta*( c1*e_2_1_2 &
32313  +c2*e_3_1_2&
32314 
32315  )
32316  e_3_1_3 = zetb*( c1*e_2_1_2 &
32317  +c3*e_3_1_2&
32318 
32319  )
32320  e_4_2_2 = zeta*( c1*e_3_1_2 &
32321 
32322 
32323  )
32324  e_4_1_3 = zetb*( c1*e_3_1_2 &
32325 
32326 
32327  )
32328  e_0_3_2 = zeta*( &
32329  +c2*e_0_2_2&
32330  +2*e_1_2_2 &
32331  -4*e_0_1_2)
32332  e_0_2_3 = zetb*( &
32333  +c3*e_0_2_2&
32334  +2*e_1_2_2 &
32335  -4*e_0_2_1)
32336  e_1_3_2 = zeta*( c1*e_0_2_2 &
32337  +c2*e_1_2_2&
32338  +4*e_2_2_2 &
32339  -4*e_1_1_2)
32340  e_1_2_3 = zetb*( c1*e_0_2_2 &
32341  +c3*e_1_2_2&
32342  +4*e_2_2_2 &
32343  -4*e_1_2_1)
32344  e_2_3_2 = zeta*( c1*e_1_2_2 &
32345  +c2*e_2_2_2&
32346  +6*e_3_2_2 &
32347  -4*e_2_1_2)
32348  e_2_2_3 = zetb*( c1*e_1_2_2 &
32349  +c3*e_2_2_2&
32350  +6*e_3_2_2 &
32351  -4*e_2_2_1)
32352  e_3_3_2 = zeta*( c1*e_2_2_2 &
32353  +c2*e_3_2_2&
32354  +8*e_4_2_2 &
32355  -4*e_3_1_2)
32356  e_3_2_3 = zetb*( c1*e_2_2_2 &
32357  +c3*e_3_2_2&
32358  +8*e_4_2_2 &
32359  -4*e_3_2_1)
32360  e_4_3_2 = zeta*( c1*e_3_2_2 &
32361  +c2*e_4_2_2&
32362 
32363  )
32364  e_4_2_3 = zetb*( c1*e_3_2_2 &
32365  +c3*e_4_2_2&
32366 
32367  )
32368  e_5_3_2 = zeta*( c1*e_4_2_2 &
32369 
32370 
32371  )
32372  e_5_2_3 = zetb*( c1*e_4_2_2 &
32373 
32374 
32375  )
32376  e_0_3_3 = zetb*( &
32377  +c3*e_0_3_2&
32378  +2*e_1_3_2 &
32379  -4*e_0_3_1)
32380  e_1_3_3 = zetb*( c1*e_0_3_2 &
32381  +c3*e_1_3_2&
32382  +4*e_2_3_2 &
32383  -4*e_1_3_1)
32384  e_2_3_3 = zetb*( c1*e_1_3_2 &
32385  +c3*e_2_3_2&
32386  +6*e_3_3_2 &
32387  -4*e_2_3_1)
32388  e_3_3_3 = zetb*( c1*e_2_3_2 &
32389  +c3*e_3_3_2&
32390  +8*e_4_3_2 &
32391  -4*e_3_3_1)
32392  e_4_3_3 = zetb*( c1*e_3_3_2 &
32393  +c3*e_4_3_2&
32394  +10*e_5_3_2 &
32395  -4*e_4_3_1)
32396  e_5_3_3 = zetb*( c1*e_4_3_2 &
32397  +c3*e_5_3_2&
32398 
32399  )
32400  e_6_3_3 = zetb*( c1*e_5_3_2 &
32401 
32402 
32403  )
32404  e_0_1_3 = zeta*( &
32405  +c2*e_0_0_3&
32406  +2*e_1_0_3 &
32407  )
32408  e_1_1_3 = zeta*( c1*e_0_0_3 &
32409  +c2*e_1_0_3&
32410  +4*e_2_0_3 &
32411  )
32412  e_2_1_3 = zeta*( c1*e_1_0_3 &
32413  +c2*e_2_0_3&
32414  +6*e_3_0_3 &
32415  )
32416  e_3_1_3 = zeta*( c1*e_2_0_3 &
32417  +c2*e_3_0_3&
32418 
32419  )
32420  e_4_1_3 = zeta*( c1*e_3_0_3 &
32421 
32422 
32423  )
32424  e_0_2_3 = zeta*( &
32425  +c2*e_0_1_3&
32426  +2*e_1_1_3 &
32427  -2*e_0_0_3)
32428  e_1_2_3 = zeta*( c1*e_0_1_3 &
32429  +c2*e_1_1_3&
32430  +4*e_2_1_3 &
32431  -2*e_1_0_3)
32432  e_2_2_3 = zeta*( c1*e_1_1_3 &
32433  +c2*e_2_1_3&
32434  +6*e_3_1_3 &
32435  -2*e_2_0_3)
32436  e_3_2_3 = zeta*( c1*e_2_1_3 &
32437  +c2*e_3_1_3&
32438  +8*e_4_1_3 &
32439  -2*e_3_0_3)
32440  e_4_2_3 = zeta*( c1*e_3_1_3 &
32441  +c2*e_4_1_3&
32442 
32443  )
32444  e_5_2_3 = zeta*( c1*e_4_1_3 &
32445 
32446 
32447  )
32448  e_0_3_3 = zeta*( &
32449  +c2*e_0_2_3&
32450  +2*e_1_2_3 &
32451  -4*e_0_1_3)
32452  e_1_3_3 = zeta*( c1*e_0_2_3 &
32453  +c2*e_1_2_3&
32454  +4*e_2_2_3 &
32455  -4*e_1_1_3)
32456  e_2_3_3 = zeta*( c1*e_1_2_3 &
32457  +c2*e_2_2_3&
32458  +6*e_3_2_3 &
32459  -4*e_2_1_3)
32460  e_3_3_3 = zeta*( c1*e_2_2_3 &
32461  +c2*e_3_2_3&
32462  +8*e_4_2_3 &
32463  -4*e_3_1_3)
32464  e_4_3_3 = zeta*( c1*e_3_2_3 &
32465  +c2*e_4_2_3&
32466  +10*e_5_2_3 &
32467  -4*e_4_1_3)
32468  e_5_3_3 = zeta*( c1*e_4_2_3 &
32469  +c2*e_5_2_3&
32470 
32471  )
32472  e_6_3_3 = zeta*( c1*e_5_2_3 &
32473 
32474 
32475  )
32476 
32477  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
32478  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
32479  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
32480  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
32481  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
32482  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
32483  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
32484  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
32485  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
32486  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
32487  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
32488  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
32489  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
32490  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
32491  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
32492  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
32493  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
32494  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
32495  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
32496  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
32497  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
32498  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
32499  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
32500  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
32501  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
32502  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
32503  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
32504  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
32505  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
32506  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
32507  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
32508  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
32509  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
32510  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
32511  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
32512  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
32513  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
32514  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
32515  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
32516  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
32517  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
32518  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
32519  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
32520  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
32521  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
32522  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
32523  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
32524  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
32525  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
32526  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
32527  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
32528  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
32529  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
32530  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
32531  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
32532  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
32533  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
32534  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
32535  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
32536  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
32537  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
32538  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
32539  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
32540  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
32541  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
32542  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
32543  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
32544  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
32545  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
32546  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
32547  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
32548  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
32549  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
32550  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
32551  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
32552  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
32553  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
32554  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
32555  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
32556  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
32557  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
32558  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
32559  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
32560  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
32561  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
32562  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
32563  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
32564  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
32565  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
32566  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
32567  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
32568  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
32569  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
32570  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
32571  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
32572  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
32573  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
32574  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
32575  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
32576  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
32577  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
32578  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
32579  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
32580  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
32581  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
32582  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
32583  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
32584  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
32585  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
32586  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
32587  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
32588  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
32589  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
32590  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
32591  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
32592  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
32593  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
32594  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
32595  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
32596  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
32597  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
32598  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
32599  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
32600  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
32601  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
32602  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
32603  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
32604  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
32605  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
32606  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
32607  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
32608  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
32609  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
32610  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
32611  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
32612  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
32613  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
32614  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
32615  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
32616  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
32617  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
32618  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
32619  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
32620  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
32621  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
32622  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
32623  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
32624  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
32625  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
32626  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
32627  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
32628  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
32629  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
32630  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
32631  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
32632  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
32633  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
32634  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
32635  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
32636  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
32637  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
32638  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
32639  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
32640  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
32641  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
32642  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
32643  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
32644  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
32645  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
32646  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
32647  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
32648  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
32649  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
32650  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
32651  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
32652  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
32653  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
32654  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
32655  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
32656  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
32657  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
32658  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
32659  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
32660  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
32661  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
32662  s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
32663  s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
32664  s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
32665  s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
32666  s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
32667  s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
32668  s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
32669  r1 = r1 + dr
32670  END DO
32671 
32672  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
32673  END SUBROUTINE
32674  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_3_3_exp_0 ( &
32675  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
32676  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
32677  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
32678  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
32679  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
32680  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
32681  r_pow_t, r_tmp, rr1_delta, rr2_delta
32682 
32683  REAL(kind=dp) :: c1, c2, c3
32684  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
32685  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
32686  & s_r_t2_9
32687  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
32688  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
32689  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
32690  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
32691  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
32692  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
32693  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
32694  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
32695  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
32696  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
32697  & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3
32698 
32699 
32700  dr = lgth
32701  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
32702 
32703  s_r(:, :, :) = 0.0_dp
32704 
32705  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
32706 
32707  h_to_c_0_0 = sqrt(alpha/pi)
32708 
32709  h_to_c_0_1 = 0.0_dp
32710  h_to_c_1_1 = +2*alpha*h_to_c_0_0
32711  h_to_c_0_2 = -1*h_to_c_1_1
32712  h_to_c_1_2 = +2*alpha*h_to_c_0_1
32713  h_to_c_2_2 = +2*alpha*h_to_c_1_1
32714  h_to_c_0_3 = -1*h_to_c_1_2
32715  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
32716  h_to_c_2_3 = +2*alpha*h_to_c_1_2
32717  h_to_c_3_3 = +2*alpha*h_to_c_2_2
32718  h_to_c_0_4 = -1*h_to_c_1_3
32719  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
32720  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
32721  h_to_c_3_4 = +2*alpha*h_to_c_2_3
32722  h_to_c_4_4 = +2*alpha*h_to_c_3_3
32723  h_to_c_0_5 = -1*h_to_c_1_4
32724  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
32725  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
32726  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
32727  h_to_c_4_5 = +2*alpha*h_to_c_3_4
32728  h_to_c_5_5 = +2*alpha*h_to_c_4_4
32729  h_to_c_0_6 = -1*h_to_c_1_5
32730  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
32731  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
32732  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
32733  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
32734  h_to_c_5_6 = +2*alpha*h_to_c_4_5
32735  h_to_c_6_6 = +2*alpha*h_to_c_5_5
32736  h_to_c_0_7 = -1*h_to_c_1_6
32737  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
32738  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
32739  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
32740  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
32741  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
32742  h_to_c_6_7 = +2*alpha*h_to_c_5_6
32743  h_to_c_7_7 = +2*alpha*h_to_c_6_6
32744  h_to_c_0_8 = -1*h_to_c_1_7
32745  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
32746  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
32747  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
32748  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
32749  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
32750  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
32751  h_to_c_7_8 = +2*alpha*h_to_c_6_7
32752  h_to_c_8_8 = +2*alpha*h_to_c_7_7
32753  h_to_c_0_9 = -1*h_to_c_1_8
32754  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
32755  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
32756  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
32757  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
32758  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
32759  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
32760  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
32761  h_to_c_8_9 = +2*alpha*h_to_c_7_8
32762  h_to_c_9_9 = +2*alpha*h_to_c_8_8
32763 
32764 
32765  rr1_delta = (ra - rb)/dr
32766 
32767  rr1_l = ceiling(-r_c(1) + rr1_delta)
32768  rr1_r = floor(r_c(1) + rr1_delta)
32769 
32770  r1 = rr1_l*dr
32771 
32772  alpha_e = zeta*zetb/(zeta + zetb)
32773 
32774  DO rr1 = rr1_l, rr1_r
32775  s_r_t_0 = 0.0_dp
32776  s_r_t2_0 = 0.0_dp
32777  s_r_t_1 = 0.0_dp
32778  s_r_t2_1 = 0.0_dp
32779  s_r_t_2 = 0.0_dp
32780  s_r_t2_2 = 0.0_dp
32781  s_r_t_3 = 0.0_dp
32782  s_r_t2_3 = 0.0_dp
32783  s_r_t_4 = 0.0_dp
32784  s_r_t2_4 = 0.0_dp
32785  s_r_t_5 = 0.0_dp
32786  s_r_t2_5 = 0.0_dp
32787  s_r_t_6 = 0.0_dp
32788  s_r_t2_6 = 0.0_dp
32789  s_r_t_7 = 0.0_dp
32790  s_r_t2_7 = 0.0_dp
32791  s_r_t_8 = 0.0_dp
32792  s_r_t2_8 = 0.0_dp
32793  s_r_t_9 = 0.0_dp
32794  s_r_t2_9 = 0.0_dp
32795  r_tmp = r_offset + r1*zeta/(zeta + zetb)
32796  rr2_delta = -r_tmp/dr
32797 
32798  rr2_l = ceiling(-r_c(2) + rr2_delta)
32799  rr2_r = floor(r_c(2) + rr2_delta)
32800 
32801  r = r_tmp + (rr2_l)*dr
32802 
32803 
32804  DO rr2 = rr2_l, rr2_r
32805  r_pow_t = 1.0_dp
32806  exp2_rsq = exp(-alpha*r*r)
32807  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
32808  r_pow_t = r_pow_t*r
32809  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
32810  r_pow_t = r_pow_t*r
32811  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
32812  r_pow_t = r_pow_t*r
32813  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
32814  r_pow_t = r_pow_t*r
32815  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
32816  r_pow_t = r_pow_t*r
32817  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
32818  r_pow_t = r_pow_t*r
32819  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
32820  r_pow_t = r_pow_t*r
32821  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
32822  r_pow_t = r_pow_t*r
32823  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
32824  r_pow_t = r_pow_t*r
32825  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
32826 
32827  r = r + dr
32828  END DO
32829 
32830  ! C --> H
32831  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
32832  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
32833  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
32834  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
32835  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
32836  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
32837  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
32838  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
32839  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
32840  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
32841  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
32842  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
32843  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
32844  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
32845  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
32846  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
32847  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
32848  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
32849  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
32850  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
32851  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
32852  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
32853  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
32854  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
32855  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
32856  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
32857  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
32858  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
32859  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
32860  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
32861  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
32862  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
32863  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
32864  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
32865  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
32866  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
32867  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
32868  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
32869  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
32870  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
32871  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
32872  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
32873  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
32874  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
32875  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
32876  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
32877  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
32878  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
32879  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
32880  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
32881  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
32882  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
32883  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
32884  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
32885  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
32886 
32887  ! H --> HH
32888  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
32889 
32890  c1 = 1.0_dp/(zeta + zetb)
32891  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
32892  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
32893 
32894  e_0_1_0 = zeta*( &
32895  +c2*e_0_0_0&
32896 
32897  )
32898  e_0_0_1 = zetb*( &
32899  +c3*e_0_0_0&
32900 
32901  )
32902  e_1_1_0 = zeta*( c1*e_0_0_0 &
32903 
32904 
32905  )
32906  e_1_0_1 = zetb*( c1*e_0_0_0 &
32907 
32908 
32909  )
32910  e_0_2_0 = zeta*( &
32911  +c2*e_0_1_0&
32912  +2*e_1_1_0 &
32913  -2*e_0_0_0)
32914  e_0_1_1 = zetb*( &
32915  +c3*e_0_1_0&
32916  +2*e_1_1_0 &
32917  )
32918  e_1_2_0 = zeta*( c1*e_0_1_0 &
32919  +c2*e_1_1_0&
32920 
32921  )
32922  e_1_1_1 = zetb*( c1*e_0_1_0 &
32923  +c3*e_1_1_0&
32924 
32925  )
32926  e_2_2_0 = zeta*( c1*e_1_1_0 &
32927 
32928 
32929  )
32930  e_2_1_1 = zetb*( c1*e_1_1_0 &
32931 
32932 
32933  )
32934  e_0_3_0 = zeta*( &
32935  +c2*e_0_2_0&
32936  +2*e_1_2_0 &
32937  -4*e_0_1_0)
32938  e_0_2_1 = zetb*( &
32939  +c3*e_0_2_0&
32940  +2*e_1_2_0 &
32941  )
32942  e_1_3_0 = zeta*( c1*e_0_2_0 &
32943  +c2*e_1_2_0&
32944  +4*e_2_2_0 &
32945  -4*e_1_1_0)
32946  e_1_2_1 = zetb*( c1*e_0_2_0 &
32947  +c3*e_1_2_0&
32948  +4*e_2_2_0 &
32949  )
32950  e_2_3_0 = zeta*( c1*e_1_2_0 &
32951  +c2*e_2_2_0&
32952 
32953  )
32954  e_2_2_1 = zetb*( c1*e_1_2_0 &
32955  +c3*e_2_2_0&
32956 
32957  )
32958  e_3_3_0 = zeta*( c1*e_2_2_0 &
32959 
32960 
32961  )
32962  e_3_2_1 = zetb*( c1*e_2_2_0 &
32963 
32964 
32965  )
32966  e_0_3_1 = zetb*( &
32967  +c3*e_0_3_0&
32968  +2*e_1_3_0 &
32969  )
32970  e_1_3_1 = zetb*( c1*e_0_3_0 &
32971  +c3*e_1_3_0&
32972  +4*e_2_3_0 &
32973  )
32974  e_2_3_1 = zetb*( c1*e_1_3_0 &
32975  +c3*e_2_3_0&
32976  +6*e_3_3_0 &
32977  )
32978  e_3_3_1 = zetb*( c1*e_2_3_0 &
32979  +c3*e_3_3_0&
32980 
32981  )
32982  e_4_3_1 = zetb*( c1*e_3_3_0 &
32983 
32984 
32985  )
32986  e_0_1_1 = zeta*( &
32987  +c2*e_0_0_1&
32988  +2*e_1_0_1 &
32989  )
32990  e_0_0_2 = zetb*( &
32991  +c3*e_0_0_1&
32992  +2*e_1_0_1 &
32993  -2*e_0_0_0)
32994  e_1_1_1 = zeta*( c1*e_0_0_1 &
32995  +c2*e_1_0_1&
32996 
32997  )
32998  e_1_0_2 = zetb*( c1*e_0_0_1 &
32999  +c3*e_1_0_1&
33000 
33001  )
33002  e_2_1_1 = zeta*( c1*e_1_0_1 &
33003 
33004 
33005  )
33006  e_2_0_2 = zetb*( c1*e_1_0_1 &
33007 
33008 
33009  )
33010  e_0_2_1 = zeta*( &
33011  +c2*e_0_1_1&
33012  +2*e_1_1_1 &
33013  -2*e_0_0_1)
33014  e_0_1_2 = zetb*( &
33015  +c3*e_0_1_1&
33016  +2*e_1_1_1 &
33017  -2*e_0_1_0)
33018  e_1_2_1 = zeta*( c1*e_0_1_1 &
33019  +c2*e_1_1_1&
33020  +4*e_2_1_1 &
33021  -2*e_1_0_1)
33022  e_1_1_2 = zetb*( c1*e_0_1_1 &
33023  +c3*e_1_1_1&
33024  +4*e_2_1_1 &
33025  -2*e_1_1_0)
33026  e_2_2_1 = zeta*( c1*e_1_1_1 &
33027  +c2*e_2_1_1&
33028 
33029  )
33030  e_2_1_2 = zetb*( c1*e_1_1_1 &
33031  +c3*e_2_1_1&
33032 
33033  )
33034  e_3_2_1 = zeta*( c1*e_2_1_1 &
33035 
33036 
33037  )
33038  e_3_1_2 = zetb*( c1*e_2_1_1 &
33039 
33040 
33041  )
33042  e_0_3_1 = zeta*( &
33043  +c2*e_0_2_1&
33044  +2*e_1_2_1 &
33045  -4*e_0_1_1)
33046  e_0_2_2 = zetb*( &
33047  +c3*e_0_2_1&
33048  +2*e_1_2_1 &
33049  -2*e_0_2_0)
33050  e_1_3_1 = zeta*( c1*e_0_2_1 &
33051  +c2*e_1_2_1&
33052  +4*e_2_2_1 &
33053  -4*e_1_1_1)
33054  e_1_2_2 = zetb*( c1*e_0_2_1 &
33055  +c3*e_1_2_1&
33056  +4*e_2_2_1 &
33057  -2*e_1_2_0)
33058  e_2_3_1 = zeta*( c1*e_1_2_1 &
33059  +c2*e_2_2_1&
33060  +6*e_3_2_1 &
33061  -4*e_2_1_1)
33062  e_2_2_2 = zetb*( c1*e_1_2_1 &
33063  +c3*e_2_2_1&
33064  +6*e_3_2_1 &
33065  -2*e_2_2_0)
33066  e_3_3_1 = zeta*( c1*e_2_2_1 &
33067  +c2*e_3_2_1&
33068 
33069  )
33070  e_3_2_2 = zetb*( c1*e_2_2_1 &
33071  +c3*e_3_2_1&
33072 
33073  )
33074  e_4_3_1 = zeta*( c1*e_3_2_1 &
33075 
33076 
33077  )
33078  e_4_2_2 = zetb*( c1*e_3_2_1 &
33079 
33080 
33081  )
33082  e_0_3_2 = zetb*( &
33083  +c3*e_0_3_1&
33084  +2*e_1_3_1 &
33085  -2*e_0_3_0)
33086  e_1_3_2 = zetb*( c1*e_0_3_1 &
33087  +c3*e_1_3_1&
33088  +4*e_2_3_1 &
33089  -2*e_1_3_0)
33090  e_2_3_2 = zetb*( c1*e_1_3_1 &
33091  +c3*e_2_3_1&
33092  +6*e_3_3_1 &
33093  -2*e_2_3_0)
33094  e_3_3_2 = zetb*( c1*e_2_3_1 &
33095  +c3*e_3_3_1&
33096  +8*e_4_3_1 &
33097  -2*e_3_3_0)
33098  e_4_3_2 = zetb*( c1*e_3_3_1 &
33099  +c3*e_4_3_1&
33100 
33101  )
33102  e_5_3_2 = zetb*( c1*e_4_3_1 &
33103 
33104 
33105  )
33106  e_0_1_2 = zeta*( &
33107  +c2*e_0_0_2&
33108  +2*e_1_0_2 &
33109  )
33110  e_0_0_3 = zetb*( &
33111  +c3*e_0_0_2&
33112  +2*e_1_0_2 &
33113  -4*e_0_0_1)
33114  e_1_1_2 = zeta*( c1*e_0_0_2 &
33115  +c2*e_1_0_2&
33116  +4*e_2_0_2 &
33117  )
33118  e_1_0_3 = zetb*( c1*e_0_0_2 &
33119  +c3*e_1_0_2&
33120  +4*e_2_0_2 &
33121  -4*e_1_0_1)
33122  e_2_1_2 = zeta*( c1*e_1_0_2 &
33123  +c2*e_2_0_2&
33124 
33125  )
33126  e_2_0_3 = zetb*( c1*e_1_0_2 &
33127  +c3*e_2_0_2&
33128 
33129  )
33130  e_3_1_2 = zeta*( c1*e_2_0_2 &
33131 
33132 
33133  )
33134  e_3_0_3 = zetb*( c1*e_2_0_2 &
33135 
33136 
33137  )
33138  e_0_2_2 = zeta*( &
33139  +c2*e_0_1_2&
33140  +2*e_1_1_2 &
33141  -2*e_0_0_2)
33142  e_0_1_3 = zetb*( &
33143  +c3*e_0_1_2&
33144  +2*e_1_1_2 &
33145  -4*e_0_1_1)
33146  e_1_2_2 = zeta*( c1*e_0_1_2 &
33147  +c2*e_1_1_2&
33148  +4*e_2_1_2 &
33149  -2*e_1_0_2)
33150  e_1_1_3 = zetb*( c1*e_0_1_2 &
33151  +c3*e_1_1_2&
33152  +4*e_2_1_2 &
33153  -4*e_1_1_1)
33154  e_2_2_2 = zeta*( c1*e_1_1_2 &
33155  +c2*e_2_1_2&
33156  +6*e_3_1_2 &
33157  -2*e_2_0_2)
33158  e_2_1_3 = zetb*( c1*e_1_1_2 &
33159  +c3*e_2_1_2&
33160  +6*e_3_1_2 &
33161  -4*e_2_1_1)
33162  e_3_2_2 = zeta*( c1*e_2_1_2 &
33163  +c2*e_3_1_2&
33164 
33165  )
33166  e_3_1_3 = zetb*( c1*e_2_1_2 &
33167  +c3*e_3_1_2&
33168 
33169  )
33170  e_4_2_2 = zeta*( c1*e_3_1_2 &
33171 
33172 
33173  )
33174  e_4_1_3 = zetb*( c1*e_3_1_2 &
33175 
33176 
33177  )
33178  e_0_3_2 = zeta*( &
33179  +c2*e_0_2_2&
33180  +2*e_1_2_2 &
33181  -4*e_0_1_2)
33182  e_0_2_3 = zetb*( &
33183  +c3*e_0_2_2&
33184  +2*e_1_2_2 &
33185  -4*e_0_2_1)
33186  e_1_3_2 = zeta*( c1*e_0_2_2 &
33187  +c2*e_1_2_2&
33188  +4*e_2_2_2 &
33189  -4*e_1_1_2)
33190  e_1_2_3 = zetb*( c1*e_0_2_2 &
33191  +c3*e_1_2_2&
33192  +4*e_2_2_2 &
33193  -4*e_1_2_1)
33194  e_2_3_2 = zeta*( c1*e_1_2_2 &
33195  +c2*e_2_2_2&
33196  +6*e_3_2_2 &
33197  -4*e_2_1_2)
33198  e_2_2_3 = zetb*( c1*e_1_2_2 &
33199  +c3*e_2_2_2&
33200  +6*e_3_2_2 &
33201  -4*e_2_2_1)
33202  e_3_3_2 = zeta*( c1*e_2_2_2 &
33203  +c2*e_3_2_2&
33204  +8*e_4_2_2 &
33205  -4*e_3_1_2)
33206  e_3_2_3 = zetb*( c1*e_2_2_2 &
33207  +c3*e_3_2_2&
33208  +8*e_4_2_2 &
33209  -4*e_3_2_1)
33210  e_4_3_2 = zeta*( c1*e_3_2_2 &
33211  +c2*e_4_2_2&
33212 
33213  )
33214  e_4_2_3 = zetb*( c1*e_3_2_2 &
33215  +c3*e_4_2_2&
33216 
33217  )
33218  e_5_3_2 = zeta*( c1*e_4_2_2 &
33219 
33220 
33221  )
33222  e_5_2_3 = zetb*( c1*e_4_2_2 &
33223 
33224 
33225  )
33226  e_0_3_3 = zetb*( &
33227  +c3*e_0_3_2&
33228  +2*e_1_3_2 &
33229  -4*e_0_3_1)
33230  e_1_3_3 = zetb*( c1*e_0_3_2 &
33231  +c3*e_1_3_2&
33232  +4*e_2_3_2 &
33233  -4*e_1_3_1)
33234  e_2_3_3 = zetb*( c1*e_1_3_2 &
33235  +c3*e_2_3_2&
33236  +6*e_3_3_2 &
33237  -4*e_2_3_1)
33238  e_3_3_3 = zetb*( c1*e_2_3_2 &
33239  +c3*e_3_3_2&
33240  +8*e_4_3_2 &
33241  -4*e_3_3_1)
33242  e_4_3_3 = zetb*( c1*e_3_3_2 &
33243  +c3*e_4_3_2&
33244  +10*e_5_3_2 &
33245  -4*e_4_3_1)
33246  e_5_3_3 = zetb*( c1*e_4_3_2 &
33247  +c3*e_5_3_2&
33248 
33249  )
33250  e_6_3_3 = zetb*( c1*e_5_3_2 &
33251 
33252 
33253  )
33254  e_0_1_3 = zeta*( &
33255  +c2*e_0_0_3&
33256  +2*e_1_0_3 &
33257  )
33258  e_1_1_3 = zeta*( c1*e_0_0_3 &
33259  +c2*e_1_0_3&
33260  +4*e_2_0_3 &
33261  )
33262  e_2_1_3 = zeta*( c1*e_1_0_3 &
33263  +c2*e_2_0_3&
33264  +6*e_3_0_3 &
33265  )
33266  e_3_1_3 = zeta*( c1*e_2_0_3 &
33267  +c2*e_3_0_3&
33268 
33269  )
33270  e_4_1_3 = zeta*( c1*e_3_0_3 &
33271 
33272 
33273  )
33274  e_0_2_3 = zeta*( &
33275  +c2*e_0_1_3&
33276  +2*e_1_1_3 &
33277  -2*e_0_0_3)
33278  e_1_2_3 = zeta*( c1*e_0_1_3 &
33279  +c2*e_1_1_3&
33280  +4*e_2_1_3 &
33281  -2*e_1_0_3)
33282  e_2_2_3 = zeta*( c1*e_1_1_3 &
33283  +c2*e_2_1_3&
33284  +6*e_3_1_3 &
33285  -2*e_2_0_3)
33286  e_3_2_3 = zeta*( c1*e_2_1_3 &
33287  +c2*e_3_1_3&
33288  +8*e_4_1_3 &
33289  -2*e_3_0_3)
33290  e_4_2_3 = zeta*( c1*e_3_1_3 &
33291  +c2*e_4_1_3&
33292 
33293  )
33294  e_5_2_3 = zeta*( c1*e_4_1_3 &
33295 
33296 
33297  )
33298  e_0_3_3 = zeta*( &
33299  +c2*e_0_2_3&
33300  +2*e_1_2_3 &
33301  -4*e_0_1_3)
33302  e_1_3_3 = zeta*( c1*e_0_2_3 &
33303  +c2*e_1_2_3&
33304  +4*e_2_2_3 &
33305  -4*e_1_1_3)
33306  e_2_3_3 = zeta*( c1*e_1_2_3 &
33307  +c2*e_2_2_3&
33308  +6*e_3_2_3 &
33309  -4*e_2_1_3)
33310  e_3_3_3 = zeta*( c1*e_2_2_3 &
33311  +c2*e_3_2_3&
33312  +8*e_4_2_3 &
33313  -4*e_3_1_3)
33314  e_4_3_3 = zeta*( c1*e_3_2_3 &
33315  +c2*e_4_2_3&
33316  +10*e_5_2_3 &
33317  -4*e_4_1_3)
33318  e_5_3_3 = zeta*( c1*e_4_2_3 &
33319  +c2*e_5_2_3&
33320 
33321  )
33322  e_6_3_3 = zeta*( c1*e_5_2_3 &
33323 
33324 
33325  )
33326 
33327  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
33328  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
33329  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
33330  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
33331  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
33332  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
33333  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
33334  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
33335  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
33336  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
33337  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
33338  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
33339  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
33340  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
33341  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
33342  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
33343  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
33344  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
33345  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
33346  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
33347  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
33348  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
33349  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
33350  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
33351  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
33352  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
33353  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
33354  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
33355  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
33356  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
33357  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
33358  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
33359  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
33360  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
33361  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
33362  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
33363  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
33364  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
33365  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
33366  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
33367  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
33368  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
33369  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
33370  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
33371  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
33372  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
33373  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
33374  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
33375  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
33376  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
33377  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
33378  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
33379  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
33380  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
33381  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
33382  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
33383  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
33384  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
33385  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
33386  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
33387  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
33388  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
33389  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
33390  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
33391  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
33392  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
33393  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
33394  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
33395  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
33396  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
33397  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
33398  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
33399  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
33400  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
33401  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
33402  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
33403  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
33404  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
33405  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
33406  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
33407  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
33408  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
33409  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
33410  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
33411  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
33412  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
33413  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
33414  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
33415  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
33416  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
33417  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
33418  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
33419  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
33420  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
33421  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
33422  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
33423  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
33424  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
33425  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
33426  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
33427  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
33428  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
33429  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
33430  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
33431  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
33432  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
33433  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
33434  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
33435  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
33436  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
33437  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
33438  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
33439  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
33440  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
33441  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
33442  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
33443  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
33444  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
33445  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
33446  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
33447  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
33448  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
33449  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
33450  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
33451  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
33452  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
33453  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
33454  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
33455  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
33456  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
33457  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
33458  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
33459  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
33460  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
33461  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
33462  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
33463  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
33464  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
33465  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
33466  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
33467  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
33468  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
33469  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
33470  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
33471  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
33472  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
33473  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
33474  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
33475  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
33476  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
33477  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
33478  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
33479  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
33480  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
33481  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
33482  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
33483  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
33484  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
33485  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
33486  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
33487  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
33488  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
33489  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
33490  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
33491  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
33492  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
33493  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
33494  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
33495  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
33496  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
33497  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
33498  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
33499  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
33500  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
33501  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
33502  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
33503  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
33504  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
33505  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
33506  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
33507  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
33508  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
33509  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
33510  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
33511  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
33512  s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
33513  s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
33514  s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
33515  s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
33516  s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
33517  s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
33518  s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
33519  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
33520  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
33521  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
33522  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
33523  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
33524  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
33525  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
33526  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
33527  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
33528  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
33529  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
33530  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
33531  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
33532  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
33533  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
33534  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
33535  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
33536  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
33537  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
33538  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
33539  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
33540  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
33541  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
33542  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
33543  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
33544  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
33545  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
33546  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
33547  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
33548  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
33549  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
33550  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
33551  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
33552  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
33553  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
33554  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
33555  s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
33556  s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
33557  s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
33558  s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
33559  s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
33560  s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
33561  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
33562  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
33563  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
33564  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
33565  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
33566  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
33567  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
33568  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
33569  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
33570  s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
33571  s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
33572  s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
33573  s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
33574  s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
33575  s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
33576  s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
33577  s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
33578  s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
33579  s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
33580  s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
33581  s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
33582  s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
33583  r1 = r1 + dr
33584  END DO
33585 
33586  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
33587  END SUBROUTINE
33588  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_3_4_exp_0 ( &
33589  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
33590  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
33591  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
33592  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
33593  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
33594  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
33595  r_pow_t, r_tmp, rr1_delta, rr2_delta
33596 
33597  REAL(kind=dp) :: c1, c2, c3
33598  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
33599  & s_r_t_10
33600  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
33601  & s_r_t2_9, s_r_t2_10
33602  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
33603  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
33604  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
33605  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
33606  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
33607  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
33608  & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10
33609  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
33610  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
33611  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
33612  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
33613  & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3
33614 
33615 
33616  dr = lgth
33617  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
33618 
33619  s_r(:, :, :) = 0.0_dp
33620 
33621  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
33622 
33623  h_to_c_0_0 = sqrt(alpha/pi)
33624 
33625  h_to_c_0_1 = 0.0_dp
33626  h_to_c_1_1 = +2*alpha*h_to_c_0_0
33627  h_to_c_0_2 = -1*h_to_c_1_1
33628  h_to_c_1_2 = +2*alpha*h_to_c_0_1
33629  h_to_c_2_2 = +2*alpha*h_to_c_1_1
33630  h_to_c_0_3 = -1*h_to_c_1_2
33631  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
33632  h_to_c_2_3 = +2*alpha*h_to_c_1_2
33633  h_to_c_3_3 = +2*alpha*h_to_c_2_2
33634  h_to_c_0_4 = -1*h_to_c_1_3
33635  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
33636  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
33637  h_to_c_3_4 = +2*alpha*h_to_c_2_3
33638  h_to_c_4_4 = +2*alpha*h_to_c_3_3
33639  h_to_c_0_5 = -1*h_to_c_1_4
33640  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
33641  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
33642  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
33643  h_to_c_4_5 = +2*alpha*h_to_c_3_4
33644  h_to_c_5_5 = +2*alpha*h_to_c_4_4
33645  h_to_c_0_6 = -1*h_to_c_1_5
33646  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
33647  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
33648  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
33649  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
33650  h_to_c_5_6 = +2*alpha*h_to_c_4_5
33651  h_to_c_6_6 = +2*alpha*h_to_c_5_5
33652  h_to_c_0_7 = -1*h_to_c_1_6
33653  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
33654  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
33655  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
33656  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
33657  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
33658  h_to_c_6_7 = +2*alpha*h_to_c_5_6
33659  h_to_c_7_7 = +2*alpha*h_to_c_6_6
33660  h_to_c_0_8 = -1*h_to_c_1_7
33661  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
33662  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
33663  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
33664  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
33665  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
33666  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
33667  h_to_c_7_8 = +2*alpha*h_to_c_6_7
33668  h_to_c_8_8 = +2*alpha*h_to_c_7_7
33669  h_to_c_0_9 = -1*h_to_c_1_8
33670  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
33671  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
33672  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
33673  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
33674  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
33675  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
33676  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
33677  h_to_c_8_9 = +2*alpha*h_to_c_7_8
33678  h_to_c_9_9 = +2*alpha*h_to_c_8_8
33679  h_to_c_0_10 = -1*h_to_c_1_9
33680  h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
33681  h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
33682  h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
33683  h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
33684  h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
33685  h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
33686  h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
33687  h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
33688  h_to_c_9_10 = +2*alpha*h_to_c_8_9
33689  h_to_c_10_10 = +2*alpha*h_to_c_9_9
33690 
33691 
33692  rr1_delta = (ra - rb)/dr
33693 
33694  rr1_l = ceiling(-r_c(1) + rr1_delta)
33695  rr1_r = floor(r_c(1) + rr1_delta)
33696 
33697  r1 = rr1_l*dr
33698 
33699  alpha_e = zeta*zetb/(zeta + zetb)
33700 
33701  DO rr1 = rr1_l, rr1_r
33702  s_r_t_0 = 0.0_dp
33703  s_r_t2_0 = 0.0_dp
33704  s_r_t_1 = 0.0_dp
33705  s_r_t2_1 = 0.0_dp
33706  s_r_t_2 = 0.0_dp
33707  s_r_t2_2 = 0.0_dp
33708  s_r_t_3 = 0.0_dp
33709  s_r_t2_3 = 0.0_dp
33710  s_r_t_4 = 0.0_dp
33711  s_r_t2_4 = 0.0_dp
33712  s_r_t_5 = 0.0_dp
33713  s_r_t2_5 = 0.0_dp
33714  s_r_t_6 = 0.0_dp
33715  s_r_t2_6 = 0.0_dp
33716  s_r_t_7 = 0.0_dp
33717  s_r_t2_7 = 0.0_dp
33718  s_r_t_8 = 0.0_dp
33719  s_r_t2_8 = 0.0_dp
33720  s_r_t_9 = 0.0_dp
33721  s_r_t2_9 = 0.0_dp
33722  s_r_t_10 = 0.0_dp
33723  s_r_t2_10 = 0.0_dp
33724  r_tmp = r_offset + r1*zeta/(zeta + zetb)
33725  rr2_delta = -r_tmp/dr
33726 
33727  rr2_l = ceiling(-r_c(2) + rr2_delta)
33728  rr2_r = floor(r_c(2) + rr2_delta)
33729 
33730  r = r_tmp + (rr2_l)*dr
33731 
33732 
33733  DO rr2 = rr2_l, rr2_r
33734  r_pow_t = 1.0_dp
33735  exp2_rsq = exp(-alpha*r*r)
33736  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
33737  r_pow_t = r_pow_t*r
33738  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
33739  r_pow_t = r_pow_t*r
33740  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
33741  r_pow_t = r_pow_t*r
33742  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
33743  r_pow_t = r_pow_t*r
33744  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
33745  r_pow_t = r_pow_t*r
33746  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
33747  r_pow_t = r_pow_t*r
33748  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
33749  r_pow_t = r_pow_t*r
33750  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
33751  r_pow_t = r_pow_t*r
33752  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
33753  r_pow_t = r_pow_t*r
33754  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
33755  r_pow_t = r_pow_t*r
33756  s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
33757 
33758  r = r + dr
33759  END DO
33760 
33761  ! C --> H
33762  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
33763  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
33764  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
33765  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
33766  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
33767  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
33768  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
33769  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
33770  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
33771  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
33772  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
33773  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
33774  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
33775  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
33776  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
33777  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
33778  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
33779  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
33780  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
33781  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
33782  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
33783  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
33784  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
33785  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
33786  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
33787  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
33788  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
33789  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
33790  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
33791  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
33792  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
33793  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
33794  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
33795  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
33796  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
33797  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
33798  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
33799  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
33800  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
33801  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
33802  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
33803  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
33804  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
33805  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
33806  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
33807  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
33808  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
33809  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
33810  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
33811  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
33812  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
33813  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
33814  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
33815  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
33816  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
33817  s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
33818  s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
33819  s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
33820  s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
33821  s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
33822  s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
33823  s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
33824  s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
33825  s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
33826  s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
33827  s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
33828 
33829  ! H --> HH
33830  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
33831 
33832  c1 = 1.0_dp/(zeta + zetb)
33833  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
33834  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
33835 
33836  e_0_1_0 = zeta*( &
33837  +c2*e_0_0_0&
33838 
33839  )
33840  e_0_0_1 = zetb*( &
33841  +c3*e_0_0_0&
33842 
33843  )
33844  e_1_1_0 = zeta*( c1*e_0_0_0 &
33845 
33846 
33847  )
33848  e_1_0_1 = zetb*( c1*e_0_0_0 &
33849 
33850 
33851  )
33852  e_0_2_0 = zeta*( &
33853  +c2*e_0_1_0&
33854  +2*e_1_1_0 &
33855  -2*e_0_0_0)
33856  e_0_1_1 = zetb*( &
33857  +c3*e_0_1_0&
33858  +2*e_1_1_0 &
33859  )
33860  e_1_2_0 = zeta*( c1*e_0_1_0 &
33861  +c2*e_1_1_0&
33862 
33863  )
33864  e_1_1_1 = zetb*( c1*e_0_1_0 &
33865  +c3*e_1_1_0&
33866 
33867  )
33868  e_2_2_0 = zeta*( c1*e_1_1_0 &
33869 
33870 
33871  )
33872  e_2_1_1 = zetb*( c1*e_1_1_0 &
33873 
33874 
33875  )
33876  e_0_3_0 = zeta*( &
33877  +c2*e_0_2_0&
33878  +2*e_1_2_0 &
33879  -4*e_0_1_0)
33880  e_0_2_1 = zetb*( &
33881  +c3*e_0_2_0&
33882  +2*e_1_2_0 &
33883  )
33884  e_1_3_0 = zeta*( c1*e_0_2_0 &
33885  +c2*e_1_2_0&
33886  +4*e_2_2_0 &
33887  -4*e_1_1_0)
33888  e_1_2_1 = zetb*( c1*e_0_2_0 &
33889  +c3*e_1_2_0&
33890  +4*e_2_2_0 &
33891  )
33892  e_2_3_0 = zeta*( c1*e_1_2_0 &
33893  +c2*e_2_2_0&
33894 
33895  )
33896  e_2_2_1 = zetb*( c1*e_1_2_0 &
33897  +c3*e_2_2_0&
33898 
33899  )
33900  e_3_3_0 = zeta*( c1*e_2_2_0 &
33901 
33902 
33903  )
33904  e_3_2_1 = zetb*( c1*e_2_2_0 &
33905 
33906 
33907  )
33908  e_0_3_1 = zetb*( &
33909  +c3*e_0_3_0&
33910  +2*e_1_3_0 &
33911  )
33912  e_1_3_1 = zetb*( c1*e_0_3_0 &
33913  +c3*e_1_3_0&
33914  +4*e_2_3_0 &
33915  )
33916  e_2_3_1 = zetb*( c1*e_1_3_0 &
33917  +c3*e_2_3_0&
33918  +6*e_3_3_0 &
33919  )
33920  e_3_3_1 = zetb*( c1*e_2_3_0 &
33921  +c3*e_3_3_0&
33922 
33923  )
33924  e_4_3_1 = zetb*( c1*e_3_3_0 &
33925 
33926 
33927  )
33928  e_0_1_1 = zeta*( &
33929  +c2*e_0_0_1&
33930  +2*e_1_0_1 &
33931  )
33932  e_0_0_2 = zetb*( &
33933  +c3*e_0_0_1&
33934  +2*e_1_0_1 &
33935  -2*e_0_0_0)
33936  e_1_1_1 = zeta*( c1*e_0_0_1 &
33937  +c2*e_1_0_1&
33938 
33939  )
33940  e_1_0_2 = zetb*( c1*e_0_0_1 &
33941  +c3*e_1_0_1&
33942 
33943  )
33944  e_2_1_1 = zeta*( c1*e_1_0_1 &
33945 
33946 
33947  )
33948  e_2_0_2 = zetb*( c1*e_1_0_1 &
33949 
33950 
33951  )
33952  e_0_2_1 = zeta*( &
33953  +c2*e_0_1_1&
33954  +2*e_1_1_1 &
33955  -2*e_0_0_1)
33956  e_0_1_2 = zetb*( &
33957  +c3*e_0_1_1&
33958  +2*e_1_1_1 &
33959  -2*e_0_1_0)
33960  e_1_2_1 = zeta*( c1*e_0_1_1 &
33961  +c2*e_1_1_1&
33962  +4*e_2_1_1 &
33963  -2*e_1_0_1)
33964  e_1_1_2 = zetb*( c1*e_0_1_1 &
33965  +c3*e_1_1_1&
33966  +4*e_2_1_1 &
33967  -2*e_1_1_0)
33968  e_2_2_1 = zeta*( c1*e_1_1_1 &
33969  +c2*e_2_1_1&
33970 
33971  )
33972  e_2_1_2 = zetb*( c1*e_1_1_1 &
33973  +c3*e_2_1_1&
33974 
33975  )
33976  e_3_2_1 = zeta*( c1*e_2_1_1 &
33977 
33978 
33979  )
33980  e_3_1_2 = zetb*( c1*e_2_1_1 &
33981 
33982 
33983  )
33984  e_0_3_1 = zeta*( &
33985  +c2*e_0_2_1&
33986  +2*e_1_2_1 &
33987  -4*e_0_1_1)
33988  e_0_2_2 = zetb*( &
33989  +c3*e_0_2_1&
33990  +2*e_1_2_1 &
33991  -2*e_0_2_0)
33992  e_1_3_1 = zeta*( c1*e_0_2_1 &
33993  +c2*e_1_2_1&
33994  +4*e_2_2_1 &
33995  -4*e_1_1_1)
33996  e_1_2_2 = zetb*( c1*e_0_2_1 &
33997  +c3*e_1_2_1&
33998  +4*e_2_2_1 &
33999  -2*e_1_2_0)
34000  e_2_3_1 = zeta*( c1*e_1_2_1 &
34001  +c2*e_2_2_1&
34002  +6*e_3_2_1 &
34003  -4*e_2_1_1)
34004  e_2_2_2 = zetb*( c1*e_1_2_1 &
34005  +c3*e_2_2_1&
34006  +6*e_3_2_1 &
34007  -2*e_2_2_0)
34008  e_3_3_1 = zeta*( c1*e_2_2_1 &
34009  +c2*e_3_2_1&
34010 
34011  )
34012  e_3_2_2 = zetb*( c1*e_2_2_1 &
34013  +c3*e_3_2_1&
34014 
34015  )
34016  e_4_3_1 = zeta*( c1*e_3_2_1 &
34017 
34018 
34019  )
34020  e_4_2_2 = zetb*( c1*e_3_2_1 &
34021 
34022 
34023  )
34024  e_0_3_2 = zetb*( &
34025  +c3*e_0_3_1&
34026  +2*e_1_3_1 &
34027  -2*e_0_3_0)
34028  e_1_3_2 = zetb*( c1*e_0_3_1 &
34029  +c3*e_1_3_1&
34030  +4*e_2_3_1 &
34031  -2*e_1_3_0)
34032  e_2_3_2 = zetb*( c1*e_1_3_1 &
34033  +c3*e_2_3_1&
34034  +6*e_3_3_1 &
34035  -2*e_2_3_0)
34036  e_3_3_2 = zetb*( c1*e_2_3_1 &
34037  +c3*e_3_3_1&
34038  +8*e_4_3_1 &
34039  -2*e_3_3_0)
34040  e_4_3_2 = zetb*( c1*e_3_3_1 &
34041  +c3*e_4_3_1&
34042 
34043  )
34044  e_5_3_2 = zetb*( c1*e_4_3_1 &
34045 
34046 
34047  )
34048  e_0_1_2 = zeta*( &
34049  +c2*e_0_0_2&
34050  +2*e_1_0_2 &
34051  )
34052  e_0_0_3 = zetb*( &
34053  +c3*e_0_0_2&
34054  +2*e_1_0_2 &
34055  -4*e_0_0_1)
34056  e_1_1_2 = zeta*( c1*e_0_0_2 &
34057  +c2*e_1_0_2&
34058  +4*e_2_0_2 &
34059  )
34060  e_1_0_3 = zetb*( c1*e_0_0_2 &
34061  +c3*e_1_0_2&
34062  +4*e_2_0_2 &
34063  -4*e_1_0_1)
34064  e_2_1_2 = zeta*( c1*e_1_0_2 &
34065  +c2*e_2_0_2&
34066 
34067  )
34068  e_2_0_3 = zetb*( c1*e_1_0_2 &
34069  +c3*e_2_0_2&
34070 
34071  )
34072  e_3_1_2 = zeta*( c1*e_2_0_2 &
34073 
34074 
34075  )
34076  e_3_0_3 = zetb*( c1*e_2_0_2 &
34077 
34078 
34079  )
34080  e_0_2_2 = zeta*( &
34081  +c2*e_0_1_2&
34082  +2*e_1_1_2 &
34083  -2*e_0_0_2)
34084  e_0_1_3 = zetb*( &
34085  +c3*e_0_1_2&
34086  +2*e_1_1_2 &
34087  -4*e_0_1_1)
34088  e_1_2_2 = zeta*( c1*e_0_1_2 &
34089  +c2*e_1_1_2&
34090  +4*e_2_1_2 &
34091  -2*e_1_0_2)
34092  e_1_1_3 = zetb*( c1*e_0_1_2 &
34093  +c3*e_1_1_2&
34094  +4*e_2_1_2 &
34095  -4*e_1_1_1)
34096  e_2_2_2 = zeta*( c1*e_1_1_2 &
34097  +c2*e_2_1_2&
34098  +6*e_3_1_2 &
34099  -2*e_2_0_2)
34100  e_2_1_3 = zetb*( c1*e_1_1_2 &
34101  +c3*e_2_1_2&
34102  +6*e_3_1_2 &
34103  -4*e_2_1_1)
34104  e_3_2_2 = zeta*( c1*e_2_1_2 &
34105  +c2*e_3_1_2&
34106 
34107  )
34108  e_3_1_3 = zetb*( c1*e_2_1_2 &
34109  +c3*e_3_1_2&
34110 
34111  )
34112  e_4_2_2 = zeta*( c1*e_3_1_2 &
34113 
34114 
34115  )
34116  e_4_1_3 = zetb*( c1*e_3_1_2 &
34117 
34118 
34119  )
34120  e_0_3_2 = zeta*( &
34121  +c2*e_0_2_2&
34122  +2*e_1_2_2 &
34123  -4*e_0_1_2)
34124  e_0_2_3 = zetb*( &
34125  +c3*e_0_2_2&
34126  +2*e_1_2_2 &
34127  -4*e_0_2_1)
34128  e_1_3_2 = zeta*( c1*e_0_2_2 &
34129  +c2*e_1_2_2&
34130  +4*e_2_2_2 &
34131  -4*e_1_1_2)
34132  e_1_2_3 = zetb*( c1*e_0_2_2 &
34133  +c3*e_1_2_2&
34134  +4*e_2_2_2 &
34135  -4*e_1_2_1)
34136  e_2_3_2 = zeta*( c1*e_1_2_2 &
34137  +c2*e_2_2_2&
34138  +6*e_3_2_2 &
34139  -4*e_2_1_2)
34140  e_2_2_3 = zetb*( c1*e_1_2_2 &
34141  +c3*e_2_2_2&
34142  +6*e_3_2_2 &
34143  -4*e_2_2_1)
34144  e_3_3_2 = zeta*( c1*e_2_2_2 &
34145  +c2*e_3_2_2&
34146  +8*e_4_2_2 &
34147  -4*e_3_1_2)
34148  e_3_2_3 = zetb*( c1*e_2_2_2 &
34149  +c3*e_3_2_2&
34150  +8*e_4_2_2 &
34151  -4*e_3_2_1)
34152  e_4_3_2 = zeta*( c1*e_3_2_2 &
34153  +c2*e_4_2_2&
34154 
34155  )
34156  e_4_2_3 = zetb*( c1*e_3_2_2 &
34157  +c3*e_4_2_2&
34158 
34159  )
34160  e_5_3_2 = zeta*( c1*e_4_2_2 &
34161 
34162 
34163  )
34164  e_5_2_3 = zetb*( c1*e_4_2_2 &
34165 
34166 
34167  )
34168  e_0_3_3 = zetb*( &
34169  +c3*e_0_3_2&
34170  +2*e_1_3_2 &
34171  -4*e_0_3_1)
34172  e_1_3_3 = zetb*( c1*e_0_3_2 &
34173  +c3*e_1_3_2&
34174  +4*e_2_3_2 &
34175  -4*e_1_3_1)
34176  e_2_3_3 = zetb*( c1*e_1_3_2 &
34177  +c3*e_2_3_2&
34178  +6*e_3_3_2 &
34179  -4*e_2_3_1)
34180  e_3_3_3 = zetb*( c1*e_2_3_2 &
34181  +c3*e_3_3_2&
34182  +8*e_4_3_2 &
34183  -4*e_3_3_1)
34184  e_4_3_3 = zetb*( c1*e_3_3_2 &
34185  +c3*e_4_3_2&
34186  +10*e_5_3_2 &
34187  -4*e_4_3_1)
34188  e_5_3_3 = zetb*( c1*e_4_3_2 &
34189  +c3*e_5_3_2&
34190 
34191  )
34192  e_6_3_3 = zetb*( c1*e_5_3_2 &
34193 
34194 
34195  )
34196  e_0_1_3 = zeta*( &
34197  +c2*e_0_0_3&
34198  +2*e_1_0_3 &
34199  )
34200  e_1_1_3 = zeta*( c1*e_0_0_3 &
34201  +c2*e_1_0_3&
34202  +4*e_2_0_3 &
34203  )
34204  e_2_1_3 = zeta*( c1*e_1_0_3 &
34205  +c2*e_2_0_3&
34206  +6*e_3_0_3 &
34207  )
34208  e_3_1_3 = zeta*( c1*e_2_0_3 &
34209  +c2*e_3_0_3&
34210 
34211  )
34212  e_4_1_3 = zeta*( c1*e_3_0_3 &
34213 
34214 
34215  )
34216  e_0_2_3 = zeta*( &
34217  +c2*e_0_1_3&
34218  +2*e_1_1_3 &
34219  -2*e_0_0_3)
34220  e_1_2_3 = zeta*( c1*e_0_1_3 &
34221  +c2*e_1_1_3&
34222  +4*e_2_1_3 &
34223  -2*e_1_0_3)
34224  e_2_2_3 = zeta*( c1*e_1_1_3 &
34225  +c2*e_2_1_3&
34226  +6*e_3_1_3 &
34227  -2*e_2_0_3)
34228  e_3_2_3 = zeta*( c1*e_2_1_3 &
34229  +c2*e_3_1_3&
34230  +8*e_4_1_3 &
34231  -2*e_3_0_3)
34232  e_4_2_3 = zeta*( c1*e_3_1_3 &
34233  +c2*e_4_1_3&
34234 
34235  )
34236  e_5_2_3 = zeta*( c1*e_4_1_3 &
34237 
34238 
34239  )
34240  e_0_3_3 = zeta*( &
34241  +c2*e_0_2_3&
34242  +2*e_1_2_3 &
34243  -4*e_0_1_3)
34244  e_1_3_3 = zeta*( c1*e_0_2_3 &
34245  +c2*e_1_2_3&
34246  +4*e_2_2_3 &
34247  -4*e_1_1_3)
34248  e_2_3_3 = zeta*( c1*e_1_2_3 &
34249  +c2*e_2_2_3&
34250  +6*e_3_2_3 &
34251  -4*e_2_1_3)
34252  e_3_3_3 = zeta*( c1*e_2_2_3 &
34253  +c2*e_3_2_3&
34254  +8*e_4_2_3 &
34255  -4*e_3_1_3)
34256  e_4_3_3 = zeta*( c1*e_3_2_3 &
34257  +c2*e_4_2_3&
34258  +10*e_5_2_3 &
34259  -4*e_4_1_3)
34260  e_5_3_3 = zeta*( c1*e_4_2_3 &
34261  +c2*e_5_2_3&
34262 
34263  )
34264  e_6_3_3 = zeta*( c1*e_5_2_3 &
34265 
34266 
34267  )
34268 
34269  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
34270  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
34271  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
34272  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
34273  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
34274  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
34275  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
34276  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
34277  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
34278  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
34279  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
34280  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
34281  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
34282  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
34283  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
34284  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
34285  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
34286  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
34287  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
34288  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
34289  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
34290  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
34291  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
34292  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
34293  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
34294  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
34295  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
34296  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
34297  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
34298  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
34299  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
34300  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
34301  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
34302  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
34303  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
34304  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
34305  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
34306  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
34307  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
34308  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
34309  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
34310  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
34311  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
34312  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
34313  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
34314  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
34315  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
34316  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
34317  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
34318  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
34319  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
34320  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
34321  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
34322  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
34323  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
34324  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
34325  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
34326  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
34327  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
34328  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
34329  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
34330  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
34331  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
34332  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
34333  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
34334  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
34335  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
34336  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
34337  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
34338  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
34339  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
34340  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
34341  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
34342  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
34343  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
34344  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
34345  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
34346  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
34347  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
34348  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
34349  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
34350  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
34351  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
34352  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
34353  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
34354  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
34355  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
34356  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
34357  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
34358  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
34359  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
34360  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
34361  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
34362  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
34363  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
34364  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
34365  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
34366  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
34367  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
34368  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
34369  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
34370  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
34371  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
34372  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
34373  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
34374  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
34375  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
34376  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
34377  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
34378  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
34379  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
34380  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
34381  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
34382  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
34383  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
34384  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
34385  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
34386  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
34387  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
34388  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
34389  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
34390  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
34391  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
34392  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
34393  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
34394  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
34395  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
34396  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
34397  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
34398  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
34399  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
34400  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
34401  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
34402  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
34403  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
34404  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
34405  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
34406  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
34407  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
34408  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
34409  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
34410  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
34411  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
34412  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
34413  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
34414  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
34415  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
34416  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
34417  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
34418  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
34419  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
34420  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
34421  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
34422  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
34423  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
34424  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
34425  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
34426  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
34427  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
34428  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
34429  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
34430  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
34431  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
34432  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
34433  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
34434  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
34435  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
34436  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
34437  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
34438  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
34439  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
34440  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
34441  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
34442  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
34443  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
34444  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
34445  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
34446  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
34447  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
34448  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
34449  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
34450  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
34451  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
34452  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
34453  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
34454  s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
34455  s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
34456  s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
34457  s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
34458  s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
34459  s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
34460  s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
34461  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
34462  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
34463  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
34464  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
34465  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
34466  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
34467  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
34468  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
34469  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
34470  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
34471  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
34472  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
34473  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
34474  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
34475  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
34476  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
34477  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
34478  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
34479  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
34480  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
34481  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
34482  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
34483  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
34484  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
34485  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
34486  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
34487  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
34488  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
34489  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
34490  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
34491  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
34492  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
34493  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
34494  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
34495  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
34496  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
34497  s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
34498  s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
34499  s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
34500  s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
34501  s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
34502  s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
34503  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
34504  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
34505  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
34506  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
34507  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
34508  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
34509  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
34510  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
34511  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
34512  s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
34513  s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
34514  s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
34515  s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
34516  s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
34517  s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
34518  s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
34519  s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
34520  s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
34521  s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
34522  s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
34523  s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
34524  s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
34525  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
34526  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
34527  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
34528  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
34529  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
34530  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
34531  s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
34532  s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
34533  s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
34534  s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
34535  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
34536  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
34537  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
34538  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
34539  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
34540  s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
34541  s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
34542  s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
34543  s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
34544  s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
34545  s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
34546  s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
34547  s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
34548  s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
34549  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
34550  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
34551  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
34552  s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
34553  s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
34554  s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
34555  s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
34556  s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
34557  s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
34558  s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
34559  s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
34560  s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
34561  s_r(3, 2, 4) = s_r(3, 2, 4) + e_0_3_2*(1)*s_r_t2_4 ! cost: 5 flops
34562  s_r(3, 2, 4) = s_r(3, 2, 4) + e_1_3_2*(1)*s_r_t2_5 ! cost: 5 flops
34563  s_r(3, 2, 4) = s_r(3, 2, 4) + e_2_3_2*(1)*s_r_t2_6 ! cost: 5 flops
34564  s_r(3, 2, 4) = s_r(3, 2, 4) + e_3_3_2*(1)*s_r_t2_7 ! cost: 5 flops
34565  s_r(3, 2, 4) = s_r(3, 2, 4) + e_4_3_2*(1)*s_r_t2_8 ! cost: 5 flops
34566  s_r(3, 2, 4) = s_r(3, 2, 4) + e_5_3_2*(1)*s_r_t2_9 ! cost: 5 flops
34567  s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
34568  s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
34569  s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
34570  s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
34571  s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
34572  s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
34573  s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
34574  s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
34575  s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
34576  s_r(2, 3, 4) = s_r(2, 3, 4) + e_0_2_3*(1)*s_r_t2_4 ! cost: 5 flops
34577  s_r(2, 3, 4) = s_r(2, 3, 4) + e_1_2_3*(1)*s_r_t2_5 ! cost: 5 flops
34578  s_r(2, 3, 4) = s_r(2, 3, 4) + e_2_2_3*(1)*s_r_t2_6 ! cost: 5 flops
34579  s_r(2, 3, 4) = s_r(2, 3, 4) + e_3_2_3*(1)*s_r_t2_7 ! cost: 5 flops
34580  s_r(2, 3, 4) = s_r(2, 3, 4) + e_4_2_3*(1)*s_r_t2_8 ! cost: 5 flops
34581  s_r(2, 3, 4) = s_r(2, 3, 4) + e_5_2_3*(1)*s_r_t2_9 ! cost: 5 flops
34582  s_r(3, 3, 4) = s_r(3, 3, 4) + e_0_3_3*(1)*s_r_t2_4 ! cost: 5 flops
34583  s_r(3, 3, 4) = s_r(3, 3, 4) + e_1_3_3*(1)*s_r_t2_5 ! cost: 5 flops
34584  s_r(3, 3, 4) = s_r(3, 3, 4) + e_2_3_3*(1)*s_r_t2_6 ! cost: 5 flops
34585  s_r(3, 3, 4) = s_r(3, 3, 4) + e_3_3_3*(1)*s_r_t2_7 ! cost: 5 flops
34586  s_r(3, 3, 4) = s_r(3, 3, 4) + e_4_3_3*(1)*s_r_t2_8 ! cost: 5 flops
34587  s_r(3, 3, 4) = s_r(3, 3, 4) + e_5_3_3*(1)*s_r_t2_9 ! cost: 5 flops
34588  s_r(3, 3, 4) = s_r(3, 3, 4) + e_6_3_3*(1)*s_r_t2_10 ! cost: 5 flops
34589  r1 = r1 + dr
34590  END DO
34591 
34592  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
34593  END SUBROUTINE
34594  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_4_0_exp_0 ( &
34595  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
34596  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
34597  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
34598  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
34599  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
34600  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
34601  r_pow_t, r_tmp, rr1_delta, rr2_delta
34602 
34603  REAL(kind=dp) :: c1, c2, c3
34604  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
34605  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
34606  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
34607  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
34608  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
34609  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
34610  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
34611  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
34612  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
34613  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
34614  & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3,&
34615  & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
34616  & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4
34617 
34618 
34619  dr = lgth
34620  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
34621 
34622  s_r(:, :, :) = 0.0_dp
34623 
34624  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
34625 
34626  h_to_c_0_0 = sqrt(alpha/pi)
34627 
34628  h_to_c_0_1 = 0.0_dp
34629  h_to_c_1_1 = +2*alpha*h_to_c_0_0
34630  h_to_c_0_2 = -1*h_to_c_1_1
34631  h_to_c_1_2 = +2*alpha*h_to_c_0_1
34632  h_to_c_2_2 = +2*alpha*h_to_c_1_1
34633  h_to_c_0_3 = -1*h_to_c_1_2
34634  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
34635  h_to_c_2_3 = +2*alpha*h_to_c_1_2
34636  h_to_c_3_3 = +2*alpha*h_to_c_2_2
34637  h_to_c_0_4 = -1*h_to_c_1_3
34638  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
34639  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
34640  h_to_c_3_4 = +2*alpha*h_to_c_2_3
34641  h_to_c_4_4 = +2*alpha*h_to_c_3_3
34642  h_to_c_0_5 = -1*h_to_c_1_4
34643  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
34644  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
34645  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
34646  h_to_c_4_5 = +2*alpha*h_to_c_3_4
34647  h_to_c_5_5 = +2*alpha*h_to_c_4_4
34648  h_to_c_0_6 = -1*h_to_c_1_5
34649  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
34650  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
34651  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
34652  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
34653  h_to_c_5_6 = +2*alpha*h_to_c_4_5
34654  h_to_c_6_6 = +2*alpha*h_to_c_5_5
34655  h_to_c_0_7 = -1*h_to_c_1_6
34656  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
34657  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
34658  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
34659  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
34660  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
34661  h_to_c_6_7 = +2*alpha*h_to_c_5_6
34662  h_to_c_7_7 = +2*alpha*h_to_c_6_6
34663 
34664 
34665  rr1_delta = (ra - rb)/dr
34666 
34667  rr1_l = ceiling(-r_c(1) + rr1_delta)
34668  rr1_r = floor(r_c(1) + rr1_delta)
34669 
34670  r1 = rr1_l*dr
34671 
34672  alpha_e = zeta*zetb/(zeta + zetb)
34673 
34674  DO rr1 = rr1_l, rr1_r
34675  s_r_t_0 = 0.0_dp
34676  s_r_t2_0 = 0.0_dp
34677  s_r_t_1 = 0.0_dp
34678  s_r_t2_1 = 0.0_dp
34679  s_r_t_2 = 0.0_dp
34680  s_r_t2_2 = 0.0_dp
34681  s_r_t_3 = 0.0_dp
34682  s_r_t2_3 = 0.0_dp
34683  s_r_t_4 = 0.0_dp
34684  s_r_t2_4 = 0.0_dp
34685  s_r_t_5 = 0.0_dp
34686  s_r_t2_5 = 0.0_dp
34687  s_r_t_6 = 0.0_dp
34688  s_r_t2_6 = 0.0_dp
34689  s_r_t_7 = 0.0_dp
34690  s_r_t2_7 = 0.0_dp
34691  r_tmp = r_offset + r1*zeta/(zeta + zetb)
34692  rr2_delta = -r_tmp/dr
34693 
34694  rr2_l = ceiling(-r_c(2) + rr2_delta)
34695  rr2_r = floor(r_c(2) + rr2_delta)
34696 
34697  r = r_tmp + (rr2_l)*dr
34698 
34699 
34700  DO rr2 = rr2_l, rr2_r
34701  r_pow_t = 1.0_dp
34702  exp2_rsq = exp(-alpha*r*r)
34703  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
34704  r_pow_t = r_pow_t*r
34705  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
34706  r_pow_t = r_pow_t*r
34707  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
34708  r_pow_t = r_pow_t*r
34709  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
34710  r_pow_t = r_pow_t*r
34711  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
34712  r_pow_t = r_pow_t*r
34713  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
34714  r_pow_t = r_pow_t*r
34715  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
34716  r_pow_t = r_pow_t*r
34717  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
34718 
34719  r = r + dr
34720  END DO
34721 
34722  ! C --> H
34723  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
34724  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
34725  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
34726  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
34727  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
34728  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
34729  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
34730  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
34731  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
34732  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
34733  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
34734  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
34735  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
34736  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
34737  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
34738  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
34739  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
34740  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
34741  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
34742  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
34743  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
34744  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
34745  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
34746  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
34747  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
34748  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
34749  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
34750  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
34751  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
34752  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
34753  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
34754  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
34755  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
34756  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
34757  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
34758  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
34759 
34760  ! H --> HH
34761  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
34762 
34763  c1 = 1.0_dp/(zeta + zetb)
34764  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
34765  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
34766 
34767  e_0_1_0 = zeta*( &
34768  +c2*e_0_0_0&
34769 
34770  )
34771  e_0_0_1 = zetb*( &
34772  +c3*e_0_0_0&
34773 
34774  )
34775  e_1_1_0 = zeta*( c1*e_0_0_0 &
34776 
34777 
34778  )
34779  e_1_0_1 = zetb*( c1*e_0_0_0 &
34780 
34781 
34782  )
34783  e_0_2_0 = zeta*( &
34784  +c2*e_0_1_0&
34785  +2*e_1_1_0 &
34786  -2*e_0_0_0)
34787  e_0_1_1 = zetb*( &
34788  +c3*e_0_1_0&
34789  +2*e_1_1_0 &
34790  )
34791  e_1_2_0 = zeta*( c1*e_0_1_0 &
34792  +c2*e_1_1_0&
34793 
34794  )
34795  e_1_1_1 = zetb*( c1*e_0_1_0 &
34796  +c3*e_1_1_0&
34797 
34798  )
34799  e_2_2_0 = zeta*( c1*e_1_1_0 &
34800 
34801 
34802  )
34803  e_2_1_1 = zetb*( c1*e_1_1_0 &
34804 
34805 
34806  )
34807  e_0_3_0 = zeta*( &
34808  +c2*e_0_2_0&
34809  +2*e_1_2_0 &
34810  -4*e_0_1_0)
34811  e_0_2_1 = zetb*( &
34812  +c3*e_0_2_0&
34813  +2*e_1_2_0 &
34814  )
34815  e_1_3_0 = zeta*( c1*e_0_2_0 &
34816  +c2*e_1_2_0&
34817  +4*e_2_2_0 &
34818  -4*e_1_1_0)
34819  e_1_2_1 = zetb*( c1*e_0_2_0 &
34820  +c3*e_1_2_0&
34821  +4*e_2_2_0 &
34822  )
34823  e_2_3_0 = zeta*( c1*e_1_2_0 &
34824  +c2*e_2_2_0&
34825 
34826  )
34827  e_2_2_1 = zetb*( c1*e_1_2_0 &
34828  +c3*e_2_2_0&
34829 
34830  )
34831  e_3_3_0 = zeta*( c1*e_2_2_0 &
34832 
34833 
34834  )
34835  e_3_2_1 = zetb*( c1*e_2_2_0 &
34836 
34837 
34838  )
34839  e_0_3_1 = zetb*( &
34840  +c3*e_0_3_0&
34841  +2*e_1_3_0 &
34842  )
34843  e_1_3_1 = zetb*( c1*e_0_3_0 &
34844  +c3*e_1_3_0&
34845  +4*e_2_3_0 &
34846  )
34847  e_2_3_1 = zetb*( c1*e_1_3_0 &
34848  +c3*e_2_3_0&
34849  +6*e_3_3_0 &
34850  )
34851  e_3_3_1 = zetb*( c1*e_2_3_0 &
34852  +c3*e_3_3_0&
34853 
34854  )
34855  e_4_3_1 = zetb*( c1*e_3_3_0 &
34856 
34857 
34858  )
34859  e_0_1_1 = zeta*( &
34860  +c2*e_0_0_1&
34861  +2*e_1_0_1 &
34862  )
34863  e_0_0_2 = zetb*( &
34864  +c3*e_0_0_1&
34865  +2*e_1_0_1 &
34866  -2*e_0_0_0)
34867  e_1_1_1 = zeta*( c1*e_0_0_1 &
34868  +c2*e_1_0_1&
34869 
34870  )
34871  e_1_0_2 = zetb*( c1*e_0_0_1 &
34872  +c3*e_1_0_1&
34873 
34874  )
34875  e_2_1_1 = zeta*( c1*e_1_0_1 &
34876 
34877 
34878  )
34879  e_2_0_2 = zetb*( c1*e_1_0_1 &
34880 
34881 
34882  )
34883  e_0_2_1 = zeta*( &
34884  +c2*e_0_1_1&
34885  +2*e_1_1_1 &
34886  -2*e_0_0_1)
34887  e_0_1_2 = zetb*( &
34888  +c3*e_0_1_1&
34889  +2*e_1_1_1 &
34890  -2*e_0_1_0)
34891  e_1_2_1 = zeta*( c1*e_0_1_1 &
34892  +c2*e_1_1_1&
34893  +4*e_2_1_1 &
34894  -2*e_1_0_1)
34895  e_1_1_2 = zetb*( c1*e_0_1_1 &
34896  +c3*e_1_1_1&
34897  +4*e_2_1_1 &
34898  -2*e_1_1_0)
34899  e_2_2_1 = zeta*( c1*e_1_1_1 &
34900  +c2*e_2_1_1&
34901 
34902  )
34903  e_2_1_2 = zetb*( c1*e_1_1_1 &
34904  +c3*e_2_1_1&
34905 
34906  )
34907  e_3_2_1 = zeta*( c1*e_2_1_1 &
34908 
34909 
34910  )
34911  e_3_1_2 = zetb*( c1*e_2_1_1 &
34912 
34913 
34914  )
34915  e_0_3_1 = zeta*( &
34916  +c2*e_0_2_1&
34917  +2*e_1_2_1 &
34918  -4*e_0_1_1)
34919  e_0_2_2 = zetb*( &
34920  +c3*e_0_2_1&
34921  +2*e_1_2_1 &
34922  -2*e_0_2_0)
34923  e_1_3_1 = zeta*( c1*e_0_2_1 &
34924  +c2*e_1_2_1&
34925  +4*e_2_2_1 &
34926  -4*e_1_1_1)
34927  e_1_2_2 = zetb*( c1*e_0_2_1 &
34928  +c3*e_1_2_1&
34929  +4*e_2_2_1 &
34930  -2*e_1_2_0)
34931  e_2_3_1 = zeta*( c1*e_1_2_1 &
34932  +c2*e_2_2_1&
34933  +6*e_3_2_1 &
34934  -4*e_2_1_1)
34935  e_2_2_2 = zetb*( c1*e_1_2_1 &
34936  +c3*e_2_2_1&
34937  +6*e_3_2_1 &
34938  -2*e_2_2_0)
34939  e_3_3_1 = zeta*( c1*e_2_2_1 &
34940  +c2*e_3_2_1&
34941 
34942  )
34943  e_3_2_2 = zetb*( c1*e_2_2_1 &
34944  +c3*e_3_2_1&
34945 
34946  )
34947  e_4_3_1 = zeta*( c1*e_3_2_1 &
34948 
34949 
34950  )
34951  e_4_2_2 = zetb*( c1*e_3_2_1 &
34952 
34953 
34954  )
34955  e_0_3_2 = zetb*( &
34956  +c3*e_0_3_1&
34957  +2*e_1_3_1 &
34958  -2*e_0_3_0)
34959  e_1_3_2 = zetb*( c1*e_0_3_1 &
34960  +c3*e_1_3_1&
34961  +4*e_2_3_1 &
34962  -2*e_1_3_0)
34963  e_2_3_2 = zetb*( c1*e_1_3_1 &
34964  +c3*e_2_3_1&
34965  +6*e_3_3_1 &
34966  -2*e_2_3_0)
34967  e_3_3_2 = zetb*( c1*e_2_3_1 &
34968  +c3*e_3_3_1&
34969  +8*e_4_3_1 &
34970  -2*e_3_3_0)
34971  e_4_3_2 = zetb*( c1*e_3_3_1 &
34972  +c3*e_4_3_1&
34973 
34974  )
34975  e_5_3_2 = zetb*( c1*e_4_3_1 &
34976 
34977 
34978  )
34979  e_0_1_2 = zeta*( &
34980  +c2*e_0_0_2&
34981  +2*e_1_0_2 &
34982  )
34983  e_0_0_3 = zetb*( &
34984  +c3*e_0_0_2&
34985  +2*e_1_0_2 &
34986  -4*e_0_0_1)
34987  e_1_1_2 = zeta*( c1*e_0_0_2 &
34988  +c2*e_1_0_2&
34989  +4*e_2_0_2 &
34990  )
34991  e_1_0_3 = zetb*( c1*e_0_0_2 &
34992  +c3*e_1_0_2&
34993  +4*e_2_0_2 &
34994  -4*e_1_0_1)
34995  e_2_1_2 = zeta*( c1*e_1_0_2 &
34996  +c2*e_2_0_2&
34997 
34998  )
34999  e_2_0_3 = zetb*( c1*e_1_0_2 &
35000  +c3*e_2_0_2&
35001 
35002  )
35003  e_3_1_2 = zeta*( c1*e_2_0_2 &
35004 
35005 
35006  )
35007  e_3_0_3 = zetb*( c1*e_2_0_2 &
35008 
35009 
35010  )
35011  e_0_2_2 = zeta*( &
35012  +c2*e_0_1_2&
35013  +2*e_1_1_2 &
35014  -2*e_0_0_2)
35015  e_0_1_3 = zetb*( &
35016  +c3*e_0_1_2&
35017  +2*e_1_1_2 &
35018  -4*e_0_1_1)
35019  e_1_2_2 = zeta*( c1*e_0_1_2 &
35020  +c2*e_1_1_2&
35021  +4*e_2_1_2 &
35022  -2*e_1_0_2)
35023  e_1_1_3 = zetb*( c1*e_0_1_2 &
35024  +c3*e_1_1_2&
35025  +4*e_2_1_2 &
35026  -4*e_1_1_1)
35027  e_2_2_2 = zeta*( c1*e_1_1_2 &
35028  +c2*e_2_1_2&
35029  +6*e_3_1_2 &
35030  -2*e_2_0_2)
35031  e_2_1_3 = zetb*( c1*e_1_1_2 &
35032  +c3*e_2_1_2&
35033  +6*e_3_1_2 &
35034  -4*e_2_1_1)
35035  e_3_2_2 = zeta*( c1*e_2_1_2 &
35036  +c2*e_3_1_2&
35037 
35038  )
35039  e_3_1_3 = zetb*( c1*e_2_1_2 &
35040  +c3*e_3_1_2&
35041 
35042  )
35043  e_4_2_2 = zeta*( c1*e_3_1_2 &
35044 
35045 
35046  )
35047  e_4_1_3 = zetb*( c1*e_3_1_2 &
35048 
35049 
35050  )
35051  e_0_3_2 = zeta*( &
35052  +c2*e_0_2_2&
35053  +2*e_1_2_2 &
35054  -4*e_0_1_2)
35055  e_0_2_3 = zetb*( &
35056  +c3*e_0_2_2&
35057  +2*e_1_2_2 &
35058  -4*e_0_2_1)
35059  e_1_3_2 = zeta*( c1*e_0_2_2 &
35060  +c2*e_1_2_2&
35061  +4*e_2_2_2 &
35062  -4*e_1_1_2)
35063  e_1_2_3 = zetb*( c1*e_0_2_2 &
35064  +c3*e_1_2_2&
35065  +4*e_2_2_2 &
35066  -4*e_1_2_1)
35067  e_2_3_2 = zeta*( c1*e_1_2_2 &
35068  +c2*e_2_2_2&
35069  +6*e_3_2_2 &
35070  -4*e_2_1_2)
35071  e_2_2_3 = zetb*( c1*e_1_2_2 &
35072  +c3*e_2_2_2&
35073  +6*e_3_2_2 &
35074  -4*e_2_2_1)
35075  e_3_3_2 = zeta*( c1*e_2_2_2 &
35076  +c2*e_3_2_2&
35077  +8*e_4_2_2 &
35078  -4*e_3_1_2)
35079  e_3_2_3 = zetb*( c1*e_2_2_2 &
35080  +c3*e_3_2_2&
35081  +8*e_4_2_2 &
35082  -4*e_3_2_1)
35083  e_4_3_2 = zeta*( c1*e_3_2_2 &
35084  +c2*e_4_2_2&
35085 
35086  )
35087  e_4_2_3 = zetb*( c1*e_3_2_2 &
35088  +c3*e_4_2_2&
35089 
35090  )
35091  e_5_3_2 = zeta*( c1*e_4_2_2 &
35092 
35093 
35094  )
35095  e_5_2_3 = zetb*( c1*e_4_2_2 &
35096 
35097 
35098  )
35099  e_0_3_3 = zetb*( &
35100  +c3*e_0_3_2&
35101  +2*e_1_3_2 &
35102  -4*e_0_3_1)
35103  e_1_3_3 = zetb*( c1*e_0_3_2 &
35104  +c3*e_1_3_2&
35105  +4*e_2_3_2 &
35106  -4*e_1_3_1)
35107  e_2_3_3 = zetb*( c1*e_1_3_2 &
35108  +c3*e_2_3_2&
35109  +6*e_3_3_2 &
35110  -4*e_2_3_1)
35111  e_3_3_3 = zetb*( c1*e_2_3_2 &
35112  +c3*e_3_3_2&
35113  +8*e_4_3_2 &
35114  -4*e_3_3_1)
35115  e_4_3_3 = zetb*( c1*e_3_3_2 &
35116  +c3*e_4_3_2&
35117  +10*e_5_3_2 &
35118  -4*e_4_3_1)
35119  e_5_3_3 = zetb*( c1*e_4_3_2 &
35120  +c3*e_5_3_2&
35121 
35122  )
35123  e_6_3_3 = zetb*( c1*e_5_3_2 &
35124 
35125 
35126  )
35127  e_0_1_3 = zeta*( &
35128  +c2*e_0_0_3&
35129  +2*e_1_0_3 &
35130  )
35131  e_0_0_4 = zetb*( &
35132  +c3*e_0_0_3&
35133  +2*e_1_0_3 &
35134  -6*e_0_0_2)
35135  e_1_1_3 = zeta*( c1*e_0_0_3 &
35136  +c2*e_1_0_3&
35137  +4*e_2_0_3 &
35138  )
35139  e_1_0_4 = zetb*( c1*e_0_0_3 &
35140  +c3*e_1_0_3&
35141  +4*e_2_0_3 &
35142  -6*e_1_0_2)
35143  e_2_1_3 = zeta*( c1*e_1_0_3 &
35144  +c2*e_2_0_3&
35145  +6*e_3_0_3 &
35146  )
35147  e_2_0_4 = zetb*( c1*e_1_0_3 &
35148  +c3*e_2_0_3&
35149  +6*e_3_0_3 &
35150  -6*e_2_0_2)
35151  e_3_1_3 = zeta*( c1*e_2_0_3 &
35152  +c2*e_3_0_3&
35153 
35154  )
35155  e_3_0_4 = zetb*( c1*e_2_0_3 &
35156  +c3*e_3_0_3&
35157 
35158  )
35159  e_4_1_3 = zeta*( c1*e_3_0_3 &
35160 
35161 
35162  )
35163  e_4_0_4 = zetb*( c1*e_3_0_3 &
35164 
35165 
35166  )
35167  e_0_2_3 = zeta*( &
35168  +c2*e_0_1_3&
35169  +2*e_1_1_3 &
35170  -2*e_0_0_3)
35171  e_0_1_4 = zetb*( &
35172  +c3*e_0_1_3&
35173  +2*e_1_1_3 &
35174  -6*e_0_1_2)
35175  e_1_2_3 = zeta*( c1*e_0_1_3 &
35176  +c2*e_1_1_3&
35177  +4*e_2_1_3 &
35178  -2*e_1_0_3)
35179  e_1_1_4 = zetb*( c1*e_0_1_3 &
35180  +c3*e_1_1_3&
35181  +4*e_2_1_3 &
35182  -6*e_1_1_2)
35183  e_2_2_3 = zeta*( c1*e_1_1_3 &
35184  +c2*e_2_1_3&
35185  +6*e_3_1_3 &
35186  -2*e_2_0_3)
35187  e_2_1_4 = zetb*( c1*e_1_1_3 &
35188  +c3*e_2_1_3&
35189  +6*e_3_1_3 &
35190  -6*e_2_1_2)
35191  e_3_2_3 = zeta*( c1*e_2_1_3 &
35192  +c2*e_3_1_3&
35193  +8*e_4_1_3 &
35194  -2*e_3_0_3)
35195  e_3_1_4 = zetb*( c1*e_2_1_3 &
35196  +c3*e_3_1_3&
35197  +8*e_4_1_3 &
35198  -6*e_3_1_2)
35199  e_4_2_3 = zeta*( c1*e_3_1_3 &
35200  +c2*e_4_1_3&
35201 
35202  )
35203  e_4_1_4 = zetb*( c1*e_3_1_3 &
35204  +c3*e_4_1_3&
35205 
35206  )
35207  e_5_2_3 = zeta*( c1*e_4_1_3 &
35208 
35209 
35210  )
35211  e_5_1_4 = zetb*( c1*e_4_1_3 &
35212 
35213 
35214  )
35215  e_0_3_3 = zeta*( &
35216  +c2*e_0_2_3&
35217  +2*e_1_2_3 &
35218  -4*e_0_1_3)
35219  e_0_2_4 = zetb*( &
35220  +c3*e_0_2_3&
35221  +2*e_1_2_3 &
35222  -6*e_0_2_2)
35223  e_1_3_3 = zeta*( c1*e_0_2_3 &
35224  +c2*e_1_2_3&
35225  +4*e_2_2_3 &
35226  -4*e_1_1_3)
35227  e_1_2_4 = zetb*( c1*e_0_2_3 &
35228  +c3*e_1_2_3&
35229  +4*e_2_2_3 &
35230  -6*e_1_2_2)
35231  e_2_3_3 = zeta*( c1*e_1_2_3 &
35232  +c2*e_2_2_3&
35233  +6*e_3_2_3 &
35234  -4*e_2_1_3)
35235  e_2_2_4 = zetb*( c1*e_1_2_3 &
35236  +c3*e_2_2_3&
35237  +6*e_3_2_3 &
35238  -6*e_2_2_2)
35239  e_3_3_3 = zeta*( c1*e_2_2_3 &
35240  +c2*e_3_2_3&
35241  +8*e_4_2_3 &
35242  -4*e_3_1_3)
35243  e_3_2_4 = zetb*( c1*e_2_2_3 &
35244  +c3*e_3_2_3&
35245  +8*e_4_2_3 &
35246  -6*e_3_2_2)
35247  e_4_3_3 = zeta*( c1*e_3_2_3 &
35248  +c2*e_4_2_3&
35249  +10*e_5_2_3 &
35250  -4*e_4_1_3)
35251  e_4_2_4 = zetb*( c1*e_3_2_3 &
35252  +c3*e_4_2_3&
35253  +10*e_5_2_3 &
35254  -6*e_4_2_2)
35255  e_5_3_3 = zeta*( c1*e_4_2_3 &
35256  +c2*e_5_2_3&
35257 
35258  )
35259  e_5_2_4 = zetb*( c1*e_4_2_3 &
35260  +c3*e_5_2_3&
35261 
35262  )
35263  e_6_3_3 = zeta*( c1*e_5_2_3 &
35264 
35265 
35266  )
35267  e_6_2_4 = zetb*( c1*e_5_2_3 &
35268 
35269 
35270  )
35271  e_0_3_4 = zetb*( &
35272  +c3*e_0_3_3&
35273  +2*e_1_3_3 &
35274  -6*e_0_3_2)
35275  e_1_3_4 = zetb*( c1*e_0_3_3 &
35276  +c3*e_1_3_3&
35277  +4*e_2_3_3 &
35278  -6*e_1_3_2)
35279  e_2_3_4 = zetb*( c1*e_1_3_3 &
35280  +c3*e_2_3_3&
35281  +6*e_3_3_3 &
35282  -6*e_2_3_2)
35283  e_3_3_4 = zetb*( c1*e_2_3_3 &
35284  +c3*e_3_3_3&
35285  +8*e_4_3_3 &
35286  -6*e_3_3_2)
35287  e_4_3_4 = zetb*( c1*e_3_3_3 &
35288  +c3*e_4_3_3&
35289  +10*e_5_3_3 &
35290  -6*e_4_3_2)
35291  e_5_3_4 = zetb*( c1*e_4_3_3 &
35292  +c3*e_5_3_3&
35293  +12*e_6_3_3 &
35294  -6*e_5_3_2)
35295  e_6_3_4 = zetb*( c1*e_5_3_3 &
35296  +c3*e_6_3_3&
35297 
35298  )
35299  e_7_3_4 = zetb*( c1*e_6_3_3 &
35300 
35301 
35302  )
35303  e_0_1_4 = zeta*( &
35304  +c2*e_0_0_4&
35305  +2*e_1_0_4 &
35306  )
35307  e_1_1_4 = zeta*( c1*e_0_0_4 &
35308  +c2*e_1_0_4&
35309  +4*e_2_0_4 &
35310  )
35311  e_2_1_4 = zeta*( c1*e_1_0_4 &
35312  +c2*e_2_0_4&
35313  +6*e_3_0_4 &
35314  )
35315  e_3_1_4 = zeta*( c1*e_2_0_4 &
35316  +c2*e_3_0_4&
35317  +8*e_4_0_4 &
35318  )
35319  e_4_1_4 = zeta*( c1*e_3_0_4 &
35320  +c2*e_4_0_4&
35321 
35322  )
35323  e_5_1_4 = zeta*( c1*e_4_0_4 &
35324 
35325 
35326  )
35327  e_0_2_4 = zeta*( &
35328  +c2*e_0_1_4&
35329  +2*e_1_1_4 &
35330  -2*e_0_0_4)
35331  e_1_2_4 = zeta*( c1*e_0_1_4 &
35332  +c2*e_1_1_4&
35333  +4*e_2_1_4 &
35334  -2*e_1_0_4)
35335  e_2_2_4 = zeta*( c1*e_1_1_4 &
35336  +c2*e_2_1_4&
35337  +6*e_3_1_4 &
35338  -2*e_2_0_4)
35339  e_3_2_4 = zeta*( c1*e_2_1_4 &
35340  +c2*e_3_1_4&
35341  +8*e_4_1_4 &
35342  -2*e_3_0_4)
35343  e_4_2_4 = zeta*( c1*e_3_1_4 &
35344  +c2*e_4_1_4&
35345  +10*e_5_1_4 &
35346  -2*e_4_0_4)
35347  e_5_2_4 = zeta*( c1*e_4_1_4 &
35348  +c2*e_5_1_4&
35349 
35350  )
35351  e_6_2_4 = zeta*( c1*e_5_1_4 &
35352 
35353 
35354  )
35355  e_0_3_4 = zeta*( &
35356  +c2*e_0_2_4&
35357  +2*e_1_2_4 &
35358  -4*e_0_1_4)
35359  e_1_3_4 = zeta*( c1*e_0_2_4 &
35360  +c2*e_1_2_4&
35361  +4*e_2_2_4 &
35362  -4*e_1_1_4)
35363  e_2_3_4 = zeta*( c1*e_1_2_4 &
35364  +c2*e_2_2_4&
35365  +6*e_3_2_4 &
35366  -4*e_2_1_4)
35367  e_3_3_4 = zeta*( c1*e_2_2_4 &
35368  +c2*e_3_2_4&
35369  +8*e_4_2_4 &
35370  -4*e_3_1_4)
35371  e_4_3_4 = zeta*( c1*e_3_2_4 &
35372  +c2*e_4_2_4&
35373  +10*e_5_2_4 &
35374  -4*e_4_1_4)
35375  e_5_3_4 = zeta*( c1*e_4_2_4 &
35376  +c2*e_5_2_4&
35377  +12*e_6_2_4 &
35378  -4*e_5_1_4)
35379  e_6_3_4 = zeta*( c1*e_5_2_4 &
35380  +c2*e_6_2_4&
35381 
35382  )
35383  e_7_3_4 = zeta*( c1*e_6_2_4 &
35384 
35385 
35386  )
35387 
35388  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
35389  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
35390  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
35391  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
35392  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
35393  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
35394  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
35395  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
35396  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
35397  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
35398  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
35399  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
35400  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
35401  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
35402  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
35403  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
35404  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
35405  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
35406  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
35407  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
35408  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
35409  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
35410  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
35411  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
35412  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
35413  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
35414  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
35415  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
35416  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
35417  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
35418  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
35419  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
35420  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
35421  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
35422  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
35423  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
35424  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
35425  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
35426  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
35427  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
35428  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
35429  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
35430  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
35431  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
35432  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
35433  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
35434  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
35435  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
35436  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
35437  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
35438  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
35439  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
35440  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
35441  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
35442  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
35443  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
35444  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
35445  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
35446  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
35447  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
35448  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
35449  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
35450  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
35451  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
35452  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
35453  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
35454  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
35455  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
35456  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
35457  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
35458  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
35459  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
35460  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
35461  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
35462  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
35463  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
35464  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
35465  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
35466  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
35467  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
35468  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
35469  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
35470  s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
35471  s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
35472  s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
35473  s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
35474  s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
35475  s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
35476  s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
35477  s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
35478  r1 = r1 + dr
35479  END DO
35480 
35481  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
35482  END SUBROUTINE
35483  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_4_1_exp_0 ( &
35484  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
35485  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
35486  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
35487  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
35488  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
35489  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
35490  r_pow_t, r_tmp, rr1_delta, rr2_delta
35491 
35492  REAL(kind=dp) :: c1, c2, c3
35493  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
35494  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
35495  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
35496  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
35497  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
35498  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
35499  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
35500  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
35501  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
35502  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
35503  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
35504  & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3,&
35505  & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
35506  & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4
35507 
35508 
35509  dr = lgth
35510  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
35511 
35512  s_r(:, :, :) = 0.0_dp
35513 
35514  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
35515 
35516  h_to_c_0_0 = sqrt(alpha/pi)
35517 
35518  h_to_c_0_1 = 0.0_dp
35519  h_to_c_1_1 = +2*alpha*h_to_c_0_0
35520  h_to_c_0_2 = -1*h_to_c_1_1
35521  h_to_c_1_2 = +2*alpha*h_to_c_0_1
35522  h_to_c_2_2 = +2*alpha*h_to_c_1_1
35523  h_to_c_0_3 = -1*h_to_c_1_2
35524  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
35525  h_to_c_2_3 = +2*alpha*h_to_c_1_2
35526  h_to_c_3_3 = +2*alpha*h_to_c_2_2
35527  h_to_c_0_4 = -1*h_to_c_1_3
35528  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
35529  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
35530  h_to_c_3_4 = +2*alpha*h_to_c_2_3
35531  h_to_c_4_4 = +2*alpha*h_to_c_3_3
35532  h_to_c_0_5 = -1*h_to_c_1_4
35533  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
35534  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
35535  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
35536  h_to_c_4_5 = +2*alpha*h_to_c_3_4
35537  h_to_c_5_5 = +2*alpha*h_to_c_4_4
35538  h_to_c_0_6 = -1*h_to_c_1_5
35539  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
35540  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
35541  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
35542  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
35543  h_to_c_5_6 = +2*alpha*h_to_c_4_5
35544  h_to_c_6_6 = +2*alpha*h_to_c_5_5
35545  h_to_c_0_7 = -1*h_to_c_1_6
35546  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
35547  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
35548  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
35549  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
35550  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
35551  h_to_c_6_7 = +2*alpha*h_to_c_5_6
35552  h_to_c_7_7 = +2*alpha*h_to_c_6_6
35553  h_to_c_0_8 = -1*h_to_c_1_7
35554  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
35555  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
35556  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
35557  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
35558  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
35559  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
35560  h_to_c_7_8 = +2*alpha*h_to_c_6_7
35561  h_to_c_8_8 = +2*alpha*h_to_c_7_7
35562 
35563 
35564  rr1_delta = (ra - rb)/dr
35565 
35566  rr1_l = ceiling(-r_c(1) + rr1_delta)
35567  rr1_r = floor(r_c(1) + rr1_delta)
35568 
35569  r1 = rr1_l*dr
35570 
35571  alpha_e = zeta*zetb/(zeta + zetb)
35572 
35573  DO rr1 = rr1_l, rr1_r
35574  s_r_t_0 = 0.0_dp
35575  s_r_t2_0 = 0.0_dp
35576  s_r_t_1 = 0.0_dp
35577  s_r_t2_1 = 0.0_dp
35578  s_r_t_2 = 0.0_dp
35579  s_r_t2_2 = 0.0_dp
35580  s_r_t_3 = 0.0_dp
35581  s_r_t2_3 = 0.0_dp
35582  s_r_t_4 = 0.0_dp
35583  s_r_t2_4 = 0.0_dp
35584  s_r_t_5 = 0.0_dp
35585  s_r_t2_5 = 0.0_dp
35586  s_r_t_6 = 0.0_dp
35587  s_r_t2_6 = 0.0_dp
35588  s_r_t_7 = 0.0_dp
35589  s_r_t2_7 = 0.0_dp
35590  s_r_t_8 = 0.0_dp
35591  s_r_t2_8 = 0.0_dp
35592  r_tmp = r_offset + r1*zeta/(zeta + zetb)
35593  rr2_delta = -r_tmp/dr
35594 
35595  rr2_l = ceiling(-r_c(2) + rr2_delta)
35596  rr2_r = floor(r_c(2) + rr2_delta)
35597 
35598  r = r_tmp + (rr2_l)*dr
35599 
35600 
35601  DO rr2 = rr2_l, rr2_r
35602  r_pow_t = 1.0_dp
35603  exp2_rsq = exp(-alpha*r*r)
35604  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
35605  r_pow_t = r_pow_t*r
35606  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
35607  r_pow_t = r_pow_t*r
35608  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
35609  r_pow_t = r_pow_t*r
35610  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
35611  r_pow_t = r_pow_t*r
35612  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
35613  r_pow_t = r_pow_t*r
35614  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
35615  r_pow_t = r_pow_t*r
35616  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
35617  r_pow_t = r_pow_t*r
35618  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
35619  r_pow_t = r_pow_t*r
35620  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
35621 
35622  r = r + dr
35623  END DO
35624 
35625  ! C --> H
35626  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
35627  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
35628  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
35629  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
35630  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
35631  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
35632  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
35633  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
35634  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
35635  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
35636  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
35637  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
35638  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
35639  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
35640  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
35641  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
35642  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
35643  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
35644  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
35645  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
35646  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
35647  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
35648  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
35649  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
35650  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
35651  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
35652  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
35653  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
35654  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
35655  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
35656  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
35657  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
35658  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
35659  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
35660  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
35661  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
35662  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
35663  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
35664  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
35665  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
35666  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
35667  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
35668  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
35669  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
35670  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
35671 
35672  ! H --> HH
35673  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
35674 
35675  c1 = 1.0_dp/(zeta + zetb)
35676  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
35677  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
35678 
35679  e_0_1_0 = zeta*( &
35680  +c2*e_0_0_0&
35681 
35682  )
35683  e_0_0_1 = zetb*( &
35684  +c3*e_0_0_0&
35685 
35686  )
35687  e_1_1_0 = zeta*( c1*e_0_0_0 &
35688 
35689 
35690  )
35691  e_1_0_1 = zetb*( c1*e_0_0_0 &
35692 
35693 
35694  )
35695  e_0_2_0 = zeta*( &
35696  +c2*e_0_1_0&
35697  +2*e_1_1_0 &
35698  -2*e_0_0_0)
35699  e_0_1_1 = zetb*( &
35700  +c3*e_0_1_0&
35701  +2*e_1_1_0 &
35702  )
35703  e_1_2_0 = zeta*( c1*e_0_1_0 &
35704  +c2*e_1_1_0&
35705 
35706  )
35707  e_1_1_1 = zetb*( c1*e_0_1_0 &
35708  +c3*e_1_1_0&
35709 
35710  )
35711  e_2_2_0 = zeta*( c1*e_1_1_0 &
35712 
35713 
35714  )
35715  e_2_1_1 = zetb*( c1*e_1_1_0 &
35716 
35717 
35718  )
35719  e_0_3_0 = zeta*( &
35720  +c2*e_0_2_0&
35721  +2*e_1_2_0 &
35722  -4*e_0_1_0)
35723  e_0_2_1 = zetb*( &
35724  +c3*e_0_2_0&
35725  +2*e_1_2_0 &
35726  )
35727  e_1_3_0 = zeta*( c1*e_0_2_0 &
35728  +c2*e_1_2_0&
35729  +4*e_2_2_0 &
35730  -4*e_1_1_0)
35731  e_1_2_1 = zetb*( c1*e_0_2_0 &
35732  +c3*e_1_2_0&
35733  +4*e_2_2_0 &
35734  )
35735  e_2_3_0 = zeta*( c1*e_1_2_0 &
35736  +c2*e_2_2_0&
35737 
35738  )
35739  e_2_2_1 = zetb*( c1*e_1_2_0 &
35740  +c3*e_2_2_0&
35741 
35742  )
35743  e_3_3_0 = zeta*( c1*e_2_2_0 &
35744 
35745 
35746  )
35747  e_3_2_1 = zetb*( c1*e_2_2_0 &
35748 
35749 
35750  )
35751  e_0_3_1 = zetb*( &
35752  +c3*e_0_3_0&
35753  +2*e_1_3_0 &
35754  )
35755  e_1_3_1 = zetb*( c1*e_0_3_0 &
35756  +c3*e_1_3_0&
35757  +4*e_2_3_0 &
35758  )
35759  e_2_3_1 = zetb*( c1*e_1_3_0 &
35760  +c3*e_2_3_0&
35761  +6*e_3_3_0 &
35762  )
35763  e_3_3_1 = zetb*( c1*e_2_3_0 &
35764  +c3*e_3_3_0&
35765 
35766  )
35767  e_4_3_1 = zetb*( c1*e_3_3_0 &
35768 
35769 
35770  )
35771  e_0_1_1 = zeta*( &
35772  +c2*e_0_0_1&
35773  +2*e_1_0_1 &
35774  )
35775  e_0_0_2 = zetb*( &
35776  +c3*e_0_0_1&
35777  +2*e_1_0_1 &
35778  -2*e_0_0_0)
35779  e_1_1_1 = zeta*( c1*e_0_0_1 &
35780  +c2*e_1_0_1&
35781 
35782  )
35783  e_1_0_2 = zetb*( c1*e_0_0_1 &
35784  +c3*e_1_0_1&
35785 
35786  )
35787  e_2_1_1 = zeta*( c1*e_1_0_1 &
35788 
35789 
35790  )
35791  e_2_0_2 = zetb*( c1*e_1_0_1 &
35792 
35793 
35794  )
35795  e_0_2_1 = zeta*( &
35796  +c2*e_0_1_1&
35797  +2*e_1_1_1 &
35798  -2*e_0_0_1)
35799  e_0_1_2 = zetb*( &
35800  +c3*e_0_1_1&
35801  +2*e_1_1_1 &
35802  -2*e_0_1_0)
35803  e_1_2_1 = zeta*( c1*e_0_1_1 &
35804  +c2*e_1_1_1&
35805  +4*e_2_1_1 &
35806  -2*e_1_0_1)
35807  e_1_1_2 = zetb*( c1*e_0_1_1 &
35808  +c3*e_1_1_1&
35809  +4*e_2_1_1 &
35810  -2*e_1_1_0)
35811  e_2_2_1 = zeta*( c1*e_1_1_1 &
35812  +c2*e_2_1_1&
35813 
35814  )
35815  e_2_1_2 = zetb*( c1*e_1_1_1 &
35816  +c3*e_2_1_1&
35817 
35818  )
35819  e_3_2_1 = zeta*( c1*e_2_1_1 &
35820 
35821 
35822  )
35823  e_3_1_2 = zetb*( c1*e_2_1_1 &
35824 
35825 
35826  )
35827  e_0_3_1 = zeta*( &
35828  +c2*e_0_2_1&
35829  +2*e_1_2_1 &
35830  -4*e_0_1_1)
35831  e_0_2_2 = zetb*( &
35832  +c3*e_0_2_1&
35833  +2*e_1_2_1 &
35834  -2*e_0_2_0)
35835  e_1_3_1 = zeta*( c1*e_0_2_1 &
35836  +c2*e_1_2_1&
35837  +4*e_2_2_1 &
35838  -4*e_1_1_1)
35839  e_1_2_2 = zetb*( c1*e_0_2_1 &
35840  +c3*e_1_2_1&
35841  +4*e_2_2_1 &
35842  -2*e_1_2_0)
35843  e_2_3_1 = zeta*( c1*e_1_2_1 &
35844  +c2*e_2_2_1&
35845  +6*e_3_2_1 &
35846  -4*e_2_1_1)
35847  e_2_2_2 = zetb*( c1*e_1_2_1 &
35848  +c3*e_2_2_1&
35849  +6*e_3_2_1 &
35850  -2*e_2_2_0)
35851  e_3_3_1 = zeta*( c1*e_2_2_1 &
35852  +c2*e_3_2_1&
35853 
35854  )
35855  e_3_2_2 = zetb*( c1*e_2_2_1 &
35856  +c3*e_3_2_1&
35857 
35858  )
35859  e_4_3_1 = zeta*( c1*e_3_2_1 &
35860 
35861 
35862  )
35863  e_4_2_2 = zetb*( c1*e_3_2_1 &
35864 
35865 
35866  )
35867  e_0_3_2 = zetb*( &
35868  +c3*e_0_3_1&
35869  +2*e_1_3_1 &
35870  -2*e_0_3_0)
35871  e_1_3_2 = zetb*( c1*e_0_3_1 &
35872  +c3*e_1_3_1&
35873  +4*e_2_3_1 &
35874  -2*e_1_3_0)
35875  e_2_3_2 = zetb*( c1*e_1_3_1 &
35876  +c3*e_2_3_1&
35877  +6*e_3_3_1 &
35878  -2*e_2_3_0)
35879  e_3_3_2 = zetb*( c1*e_2_3_1 &
35880  +c3*e_3_3_1&
35881  +8*e_4_3_1 &
35882  -2*e_3_3_0)
35883  e_4_3_2 = zetb*( c1*e_3_3_1 &
35884  +c3*e_4_3_1&
35885 
35886  )
35887  e_5_3_2 = zetb*( c1*e_4_3_1 &
35888 
35889 
35890  )
35891  e_0_1_2 = zeta*( &
35892  +c2*e_0_0_2&
35893  +2*e_1_0_2 &
35894  )
35895  e_0_0_3 = zetb*( &
35896  +c3*e_0_0_2&
35897  +2*e_1_0_2 &
35898  -4*e_0_0_1)
35899  e_1_1_2 = zeta*( c1*e_0_0_2 &
35900  +c2*e_1_0_2&
35901  +4*e_2_0_2 &
35902  )
35903  e_1_0_3 = zetb*( c1*e_0_0_2 &
35904  +c3*e_1_0_2&
35905  +4*e_2_0_2 &
35906  -4*e_1_0_1)
35907  e_2_1_2 = zeta*( c1*e_1_0_2 &
35908  +c2*e_2_0_2&
35909 
35910  )
35911  e_2_0_3 = zetb*( c1*e_1_0_2 &
35912  +c3*e_2_0_2&
35913 
35914  )
35915  e_3_1_2 = zeta*( c1*e_2_0_2 &
35916 
35917 
35918  )
35919  e_3_0_3 = zetb*( c1*e_2_0_2 &
35920 
35921 
35922  )
35923  e_0_2_2 = zeta*( &
35924  +c2*e_0_1_2&
35925  +2*e_1_1_2 &
35926  -2*e_0_0_2)
35927  e_0_1_3 = zetb*( &
35928  +c3*e_0_1_2&
35929  +2*e_1_1_2 &
35930  -4*e_0_1_1)
35931  e_1_2_2 = zeta*( c1*e_0_1_2 &
35932  +c2*e_1_1_2&
35933  +4*e_2_1_2 &
35934  -2*e_1_0_2)
35935  e_1_1_3 = zetb*( c1*e_0_1_2 &
35936  +c3*e_1_1_2&
35937  +4*e_2_1_2 &
35938  -4*e_1_1_1)
35939  e_2_2_2 = zeta*( c1*e_1_1_2 &
35940  +c2*e_2_1_2&
35941  +6*e_3_1_2 &
35942  -2*e_2_0_2)
35943  e_2_1_3 = zetb*( c1*e_1_1_2 &
35944  +c3*e_2_1_2&
35945  +6*e_3_1_2 &
35946  -4*e_2_1_1)
35947  e_3_2_2 = zeta*( c1*e_2_1_2 &
35948  +c2*e_3_1_2&
35949 
35950  )
35951  e_3_1_3 = zetb*( c1*e_2_1_2 &
35952  +c3*e_3_1_2&
35953 
35954  )
35955  e_4_2_2 = zeta*( c1*e_3_1_2 &
35956 
35957 
35958  )
35959  e_4_1_3 = zetb*( c1*e_3_1_2 &
35960 
35961 
35962  )
35963  e_0_3_2 = zeta*( &
35964  +c2*e_0_2_2&
35965  +2*e_1_2_2 &
35966  -4*e_0_1_2)
35967  e_0_2_3 = zetb*( &
35968  +c3*e_0_2_2&
35969  +2*e_1_2_2 &
35970  -4*e_0_2_1)
35971  e_1_3_2 = zeta*( c1*e_0_2_2 &
35972  +c2*e_1_2_2&
35973  +4*e_2_2_2 &
35974  -4*e_1_1_2)
35975  e_1_2_3 = zetb*( c1*e_0_2_2 &
35976  +c3*e_1_2_2&
35977  +4*e_2_2_2 &
35978  -4*e_1_2_1)
35979  e_2_3_2 = zeta*( c1*e_1_2_2 &
35980  +c2*e_2_2_2&
35981  +6*e_3_2_2 &
35982  -4*e_2_1_2)
35983  e_2_2_3 = zetb*( c1*e_1_2_2 &
35984  +c3*e_2_2_2&
35985  +6*e_3_2_2 &
35986  -4*e_2_2_1)
35987  e_3_3_2 = zeta*( c1*e_2_2_2 &
35988  +c2*e_3_2_2&
35989  +8*e_4_2_2 &
35990  -4*e_3_1_2)
35991  e_3_2_3 = zetb*( c1*e_2_2_2 &
35992  +c3*e_3_2_2&
35993  +8*e_4_2_2 &
35994  -4*e_3_2_1)
35995  e_4_3_2 = zeta*( c1*e_3_2_2 &
35996  +c2*e_4_2_2&
35997 
35998  )
35999  e_4_2_3 = zetb*( c1*e_3_2_2 &
36000  +c3*e_4_2_2&
36001 
36002  )
36003  e_5_3_2 = zeta*( c1*e_4_2_2 &
36004 
36005 
36006  )
36007  e_5_2_3 = zetb*( c1*e_4_2_2 &
36008 
36009 
36010  )
36011  e_0_3_3 = zetb*( &
36012  +c3*e_0_3_2&
36013  +2*e_1_3_2 &
36014  -4*e_0_3_1)
36015  e_1_3_3 = zetb*( c1*e_0_3_2 &
36016  +c3*e_1_3_2&
36017  +4*e_2_3_2 &
36018  -4*e_1_3_1)
36019  e_2_3_3 = zetb*( c1*e_1_3_2 &
36020  +c3*e_2_3_2&
36021  +6*e_3_3_2 &
36022  -4*e_2_3_1)
36023  e_3_3_3 = zetb*( c1*e_2_3_2 &
36024  +c3*e_3_3_2&
36025  +8*e_4_3_2 &
36026  -4*e_3_3_1)
36027  e_4_3_3 = zetb*( c1*e_3_3_2 &
36028  +c3*e_4_3_2&
36029  +10*e_5_3_2 &
36030  -4*e_4_3_1)
36031  e_5_3_3 = zetb*( c1*e_4_3_2 &
36032  +c3*e_5_3_2&
36033 
36034  )
36035  e_6_3_3 = zetb*( c1*e_5_3_2 &
36036 
36037 
36038  )
36039  e_0_1_3 = zeta*( &
36040  +c2*e_0_0_3&
36041  +2*e_1_0_3 &
36042  )
36043  e_0_0_4 = zetb*( &
36044  +c3*e_0_0_3&
36045  +2*e_1_0_3 &
36046  -6*e_0_0_2)
36047  e_1_1_3 = zeta*( c1*e_0_0_3 &
36048  +c2*e_1_0_3&
36049  +4*e_2_0_3 &
36050  )
36051  e_1_0_4 = zetb*( c1*e_0_0_3 &
36052  +c3*e_1_0_3&
36053  +4*e_2_0_3 &
36054  -6*e_1_0_2)
36055  e_2_1_3 = zeta*( c1*e_1_0_3 &
36056  +c2*e_2_0_3&
36057  +6*e_3_0_3 &
36058  )
36059  e_2_0_4 = zetb*( c1*e_1_0_3 &
36060  +c3*e_2_0_3&
36061  +6*e_3_0_3 &
36062  -6*e_2_0_2)
36063  e_3_1_3 = zeta*( c1*e_2_0_3 &
36064  +c2*e_3_0_3&
36065 
36066  )
36067  e_3_0_4 = zetb*( c1*e_2_0_3 &
36068  +c3*e_3_0_3&
36069 
36070  )
36071  e_4_1_3 = zeta*( c1*e_3_0_3 &
36072 
36073 
36074  )
36075  e_4_0_4 = zetb*( c1*e_3_0_3 &
36076 
36077 
36078  )
36079  e_0_2_3 = zeta*( &
36080  +c2*e_0_1_3&
36081  +2*e_1_1_3 &
36082  -2*e_0_0_3)
36083  e_0_1_4 = zetb*( &
36084  +c3*e_0_1_3&
36085  +2*e_1_1_3 &
36086  -6*e_0_1_2)
36087  e_1_2_3 = zeta*( c1*e_0_1_3 &
36088  +c2*e_1_1_3&
36089  +4*e_2_1_3 &
36090  -2*e_1_0_3)
36091  e_1_1_4 = zetb*( c1*e_0_1_3 &
36092  +c3*e_1_1_3&
36093  +4*e_2_1_3 &
36094  -6*e_1_1_2)
36095  e_2_2_3 = zeta*( c1*e_1_1_3 &
36096  +c2*e_2_1_3&
36097  +6*e_3_1_3 &
36098  -2*e_2_0_3)
36099  e_2_1_4 = zetb*( c1*e_1_1_3 &
36100  +c3*e_2_1_3&
36101  +6*e_3_1_3 &
36102  -6*e_2_1_2)
36103  e_3_2_3 = zeta*( c1*e_2_1_3 &
36104  +c2*e_3_1_3&
36105  +8*e_4_1_3 &
36106  -2*e_3_0_3)
36107  e_3_1_4 = zetb*( c1*e_2_1_3 &
36108  +c3*e_3_1_3&
36109  +8*e_4_1_3 &
36110  -6*e_3_1_2)
36111  e_4_2_3 = zeta*( c1*e_3_1_3 &
36112  +c2*e_4_1_3&
36113 
36114  )
36115  e_4_1_4 = zetb*( c1*e_3_1_3 &
36116  +c3*e_4_1_3&
36117 
36118  )
36119  e_5_2_3 = zeta*( c1*e_4_1_3 &
36120 
36121 
36122  )
36123  e_5_1_4 = zetb*( c1*e_4_1_3 &
36124 
36125 
36126  )
36127  e_0_3_3 = zeta*( &
36128  +c2*e_0_2_3&
36129  +2*e_1_2_3 &
36130  -4*e_0_1_3)
36131  e_0_2_4 = zetb*( &
36132  +c3*e_0_2_3&
36133  +2*e_1_2_3 &
36134  -6*e_0_2_2)
36135  e_1_3_3 = zeta*( c1*e_0_2_3 &
36136  +c2*e_1_2_3&
36137  +4*e_2_2_3 &
36138  -4*e_1_1_3)
36139  e_1_2_4 = zetb*( c1*e_0_2_3 &
36140  +c3*e_1_2_3&
36141  +4*e_2_2_3 &
36142  -6*e_1_2_2)
36143  e_2_3_3 = zeta*( c1*e_1_2_3 &
36144  +c2*e_2_2_3&
36145  +6*e_3_2_3 &
36146  -4*e_2_1_3)
36147  e_2_2_4 = zetb*( c1*e_1_2_3 &
36148  +c3*e_2_2_3&
36149  +6*e_3_2_3 &
36150  -6*e_2_2_2)
36151  e_3_3_3 = zeta*( c1*e_2_2_3 &
36152  +c2*e_3_2_3&
36153  +8*e_4_2_3 &
36154  -4*e_3_1_3)
36155  e_3_2_4 = zetb*( c1*e_2_2_3 &
36156  +c3*e_3_2_3&
36157  +8*e_4_2_3 &
36158  -6*e_3_2_2)
36159  e_4_3_3 = zeta*( c1*e_3_2_3 &
36160  +c2*e_4_2_3&
36161  +10*e_5_2_3 &
36162  -4*e_4_1_3)
36163  e_4_2_4 = zetb*( c1*e_3_2_3 &
36164  +c3*e_4_2_3&
36165  +10*e_5_2_3 &
36166  -6*e_4_2_2)
36167  e_5_3_3 = zeta*( c1*e_4_2_3 &
36168  +c2*e_5_2_3&
36169 
36170  )
36171  e_5_2_4 = zetb*( c1*e_4_2_3 &
36172  +c3*e_5_2_3&
36173 
36174  )
36175  e_6_3_3 = zeta*( c1*e_5_2_3 &
36176 
36177 
36178  )
36179  e_6_2_4 = zetb*( c1*e_5_2_3 &
36180 
36181 
36182  )
36183  e_0_3_4 = zetb*( &
36184  +c3*e_0_3_3&
36185  +2*e_1_3_3 &
36186  -6*e_0_3_2)
36187  e_1_3_4 = zetb*( c1*e_0_3_3 &
36188  +c3*e_1_3_3&
36189  +4*e_2_3_3 &
36190  -6*e_1_3_2)
36191  e_2_3_4 = zetb*( c1*e_1_3_3 &
36192  +c3*e_2_3_3&
36193  +6*e_3_3_3 &
36194  -6*e_2_3_2)
36195  e_3_3_4 = zetb*( c1*e_2_3_3 &
36196  +c3*e_3_3_3&
36197  +8*e_4_3_3 &
36198  -6*e_3_3_2)
36199  e_4_3_4 = zetb*( c1*e_3_3_3 &
36200  +c3*e_4_3_3&
36201  +10*e_5_3_3 &
36202  -6*e_4_3_2)
36203  e_5_3_4 = zetb*( c1*e_4_3_3 &
36204  +c3*e_5_3_3&
36205  +12*e_6_3_3 &
36206  -6*e_5_3_2)
36207  e_6_3_4 = zetb*( c1*e_5_3_3 &
36208  +c3*e_6_3_3&
36209 
36210  )
36211  e_7_3_4 = zetb*( c1*e_6_3_3 &
36212 
36213 
36214  )
36215  e_0_1_4 = zeta*( &
36216  +c2*e_0_0_4&
36217  +2*e_1_0_4 &
36218  )
36219  e_1_1_4 = zeta*( c1*e_0_0_4 &
36220  +c2*e_1_0_4&
36221  +4*e_2_0_4 &
36222  )
36223  e_2_1_4 = zeta*( c1*e_1_0_4 &
36224  +c2*e_2_0_4&
36225  +6*e_3_0_4 &
36226  )
36227  e_3_1_4 = zeta*( c1*e_2_0_4 &
36228  +c2*e_3_0_4&
36229  +8*e_4_0_4 &
36230  )
36231  e_4_1_4 = zeta*( c1*e_3_0_4 &
36232  +c2*e_4_0_4&
36233 
36234  )
36235  e_5_1_4 = zeta*( c1*e_4_0_4 &
36236 
36237 
36238  )
36239  e_0_2_4 = zeta*( &
36240  +c2*e_0_1_4&
36241  +2*e_1_1_4 &
36242  -2*e_0_0_4)
36243  e_1_2_4 = zeta*( c1*e_0_1_4 &
36244  +c2*e_1_1_4&
36245  +4*e_2_1_4 &
36246  -2*e_1_0_4)
36247  e_2_2_4 = zeta*( c1*e_1_1_4 &
36248  +c2*e_2_1_4&
36249  +6*e_3_1_4 &
36250  -2*e_2_0_4)
36251  e_3_2_4 = zeta*( c1*e_2_1_4 &
36252  +c2*e_3_1_4&
36253  +8*e_4_1_4 &
36254  -2*e_3_0_4)
36255  e_4_2_4 = zeta*( c1*e_3_1_4 &
36256  +c2*e_4_1_4&
36257  +10*e_5_1_4 &
36258  -2*e_4_0_4)
36259  e_5_2_4 = zeta*( c1*e_4_1_4 &
36260  +c2*e_5_1_4&
36261 
36262  )
36263  e_6_2_4 = zeta*( c1*e_5_1_4 &
36264 
36265 
36266  )
36267  e_0_3_4 = zeta*( &
36268  +c2*e_0_2_4&
36269  +2*e_1_2_4 &
36270  -4*e_0_1_4)
36271  e_1_3_4 = zeta*( c1*e_0_2_4 &
36272  +c2*e_1_2_4&
36273  +4*e_2_2_4 &
36274  -4*e_1_1_4)
36275  e_2_3_4 = zeta*( c1*e_1_2_4 &
36276  +c2*e_2_2_4&
36277  +6*e_3_2_4 &
36278  -4*e_2_1_4)
36279  e_3_3_4 = zeta*( c1*e_2_2_4 &
36280  +c2*e_3_2_4&
36281  +8*e_4_2_4 &
36282  -4*e_3_1_4)
36283  e_4_3_4 = zeta*( c1*e_3_2_4 &
36284  +c2*e_4_2_4&
36285  +10*e_5_2_4 &
36286  -4*e_4_1_4)
36287  e_5_3_4 = zeta*( c1*e_4_2_4 &
36288  +c2*e_5_2_4&
36289  +12*e_6_2_4 &
36290  -4*e_5_1_4)
36291  e_6_3_4 = zeta*( c1*e_5_2_4 &
36292  +c2*e_6_2_4&
36293 
36294  )
36295  e_7_3_4 = zeta*( c1*e_6_2_4 &
36296 
36297 
36298  )
36299 
36300  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
36301  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
36302  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
36303  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
36304  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
36305  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
36306  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
36307  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
36308  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
36309  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
36310  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
36311  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
36312  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
36313  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
36314  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
36315  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
36316  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
36317  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
36318  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
36319  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
36320  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
36321  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
36322  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
36323  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
36324  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
36325  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
36326  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
36327  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
36328  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
36329  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
36330  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
36331  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
36332  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
36333  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
36334  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
36335  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
36336  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
36337  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
36338  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
36339  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
36340  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
36341  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
36342  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
36343  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
36344  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
36345  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
36346  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
36347  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
36348  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
36349  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
36350  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
36351  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
36352  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
36353  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
36354  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
36355  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
36356  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
36357  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
36358  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
36359  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
36360  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
36361  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
36362  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
36363  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
36364  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
36365  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
36366  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
36367  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
36368  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
36369  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
36370  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
36371  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
36372  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
36373  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
36374  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
36375  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
36376  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
36377  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
36378  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
36379  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
36380  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
36381  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
36382  s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
36383  s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
36384  s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
36385  s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
36386  s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
36387  s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
36388  s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
36389  s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
36390  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
36391  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
36392  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
36393  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
36394  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
36395  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
36396  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
36397  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
36398  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
36399  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
36400  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
36401  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
36402  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
36403  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
36404  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
36405  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
36406  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
36407  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
36408  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
36409  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
36410  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
36411  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
36412  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
36413  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
36414  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
36415  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
36416  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
36417  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
36418  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
36419  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
36420  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
36421  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
36422  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
36423  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
36424  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
36425  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
36426  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
36427  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
36428  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
36429  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
36430  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
36431  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
36432  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
36433  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
36434  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
36435  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
36436  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
36437  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
36438  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
36439  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
36440  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
36441  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
36442  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
36443  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
36444  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
36445  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
36446  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
36447  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
36448  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
36449  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
36450  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
36451  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
36452  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
36453  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
36454  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
36455  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
36456  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
36457  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
36458  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
36459  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
36460  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
36461  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
36462  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
36463  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
36464  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
36465  s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
36466  s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
36467  s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
36468  s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
36469  s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
36470  s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
36471  s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
36472  s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
36473  s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
36474  s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
36475  s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
36476  s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
36477  s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
36478  s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
36479  s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
36480  r1 = r1 + dr
36481  END DO
36482 
36483  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
36484  END SUBROUTINE
36485  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_4_2_exp_0 ( &
36486  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
36487  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
36488  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
36489  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
36490  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
36491  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
36492  r_pow_t, r_tmp, rr1_delta, rr2_delta
36493 
36494  REAL(kind=dp) :: c1, c2, c3
36495  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
36496  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
36497  & s_r_t2_9
36498  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
36499  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
36500  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
36501  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
36502  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
36503  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
36504  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
36505  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
36506  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
36507  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
36508  & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3,&
36509  & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
36510  & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4
36511 
36512 
36513  dr = lgth
36514  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
36515 
36516  s_r(:, :, :) = 0.0_dp
36517 
36518  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
36519 
36520  h_to_c_0_0 = sqrt(alpha/pi)
36521 
36522  h_to_c_0_1 = 0.0_dp
36523  h_to_c_1_1 = +2*alpha*h_to_c_0_0
36524  h_to_c_0_2 = -1*h_to_c_1_1
36525  h_to_c_1_2 = +2*alpha*h_to_c_0_1
36526  h_to_c_2_2 = +2*alpha*h_to_c_1_1
36527  h_to_c_0_3 = -1*h_to_c_1_2
36528  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
36529  h_to_c_2_3 = +2*alpha*h_to_c_1_2
36530  h_to_c_3_3 = +2*alpha*h_to_c_2_2
36531  h_to_c_0_4 = -1*h_to_c_1_3
36532  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
36533  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
36534  h_to_c_3_4 = +2*alpha*h_to_c_2_3
36535  h_to_c_4_4 = +2*alpha*h_to_c_3_3
36536  h_to_c_0_5 = -1*h_to_c_1_4
36537  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
36538  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
36539  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
36540  h_to_c_4_5 = +2*alpha*h_to_c_3_4
36541  h_to_c_5_5 = +2*alpha*h_to_c_4_4
36542  h_to_c_0_6 = -1*h_to_c_1_5
36543  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
36544  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
36545  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
36546  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
36547  h_to_c_5_6 = +2*alpha*h_to_c_4_5
36548  h_to_c_6_6 = +2*alpha*h_to_c_5_5
36549  h_to_c_0_7 = -1*h_to_c_1_6
36550  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
36551  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
36552  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
36553  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
36554  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
36555  h_to_c_6_7 = +2*alpha*h_to_c_5_6
36556  h_to_c_7_7 = +2*alpha*h_to_c_6_6
36557  h_to_c_0_8 = -1*h_to_c_1_7
36558  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
36559  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
36560  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
36561  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
36562  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
36563  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
36564  h_to_c_7_8 = +2*alpha*h_to_c_6_7
36565  h_to_c_8_8 = +2*alpha*h_to_c_7_7
36566  h_to_c_0_9 = -1*h_to_c_1_8
36567  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
36568  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
36569  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
36570  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
36571  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
36572  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
36573  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
36574  h_to_c_8_9 = +2*alpha*h_to_c_7_8
36575  h_to_c_9_9 = +2*alpha*h_to_c_8_8
36576 
36577 
36578  rr1_delta = (ra - rb)/dr
36579 
36580  rr1_l = ceiling(-r_c(1) + rr1_delta)
36581  rr1_r = floor(r_c(1) + rr1_delta)
36582 
36583  r1 = rr1_l*dr
36584 
36585  alpha_e = zeta*zetb/(zeta + zetb)
36586 
36587  DO rr1 = rr1_l, rr1_r
36588  s_r_t_0 = 0.0_dp
36589  s_r_t2_0 = 0.0_dp
36590  s_r_t_1 = 0.0_dp
36591  s_r_t2_1 = 0.0_dp
36592  s_r_t_2 = 0.0_dp
36593  s_r_t2_2 = 0.0_dp
36594  s_r_t_3 = 0.0_dp
36595  s_r_t2_3 = 0.0_dp
36596  s_r_t_4 = 0.0_dp
36597  s_r_t2_4 = 0.0_dp
36598  s_r_t_5 = 0.0_dp
36599  s_r_t2_5 = 0.0_dp
36600  s_r_t_6 = 0.0_dp
36601  s_r_t2_6 = 0.0_dp
36602  s_r_t_7 = 0.0_dp
36603  s_r_t2_7 = 0.0_dp
36604  s_r_t_8 = 0.0_dp
36605  s_r_t2_8 = 0.0_dp
36606  s_r_t_9 = 0.0_dp
36607  s_r_t2_9 = 0.0_dp
36608  r_tmp = r_offset + r1*zeta/(zeta + zetb)
36609  rr2_delta = -r_tmp/dr
36610 
36611  rr2_l = ceiling(-r_c(2) + rr2_delta)
36612  rr2_r = floor(r_c(2) + rr2_delta)
36613 
36614  r = r_tmp + (rr2_l)*dr
36615 
36616 
36617  DO rr2 = rr2_l, rr2_r
36618  r_pow_t = 1.0_dp
36619  exp2_rsq = exp(-alpha*r*r)
36620  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
36621  r_pow_t = r_pow_t*r
36622  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
36623  r_pow_t = r_pow_t*r
36624  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
36625  r_pow_t = r_pow_t*r
36626  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
36627  r_pow_t = r_pow_t*r
36628  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
36629  r_pow_t = r_pow_t*r
36630  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
36631  r_pow_t = r_pow_t*r
36632  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
36633  r_pow_t = r_pow_t*r
36634  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
36635  r_pow_t = r_pow_t*r
36636  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
36637  r_pow_t = r_pow_t*r
36638  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
36639 
36640  r = r + dr
36641  END DO
36642 
36643  ! C --> H
36644  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
36645  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
36646  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
36647  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
36648  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
36649  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
36650  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
36651  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
36652  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
36653  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
36654  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
36655  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
36656  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
36657  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
36658  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
36659  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
36660  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
36661  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
36662  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
36663  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
36664  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
36665  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
36666  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
36667  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
36668  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
36669  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
36670  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
36671  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
36672  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
36673  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
36674  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
36675  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
36676  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
36677  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
36678  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
36679  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
36680  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
36681  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
36682  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
36683  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
36684  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
36685  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
36686  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
36687  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
36688  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
36689  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
36690  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
36691  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
36692  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
36693  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
36694  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
36695  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
36696  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
36697  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
36698  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
36699 
36700  ! H --> HH
36701  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
36702 
36703  c1 = 1.0_dp/(zeta + zetb)
36704  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
36705  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
36706 
36707  e_0_1_0 = zeta*( &
36708  +c2*e_0_0_0&
36709 
36710  )
36711  e_0_0_1 = zetb*( &
36712  +c3*e_0_0_0&
36713 
36714  )
36715  e_1_1_0 = zeta*( c1*e_0_0_0 &
36716 
36717 
36718  )
36719  e_1_0_1 = zetb*( c1*e_0_0_0 &
36720 
36721 
36722  )
36723  e_0_2_0 = zeta*( &
36724  +c2*e_0_1_0&
36725  +2*e_1_1_0 &
36726  -2*e_0_0_0)
36727  e_0_1_1 = zetb*( &
36728  +c3*e_0_1_0&
36729  +2*e_1_1_0 &
36730  )
36731  e_1_2_0 = zeta*( c1*e_0_1_0 &
36732  +c2*e_1_1_0&
36733 
36734  )
36735  e_1_1_1 = zetb*( c1*e_0_1_0 &
36736  +c3*e_1_1_0&
36737 
36738  )
36739  e_2_2_0 = zeta*( c1*e_1_1_0 &
36740 
36741 
36742  )
36743  e_2_1_1 = zetb*( c1*e_1_1_0 &
36744 
36745 
36746  )
36747  e_0_3_0 = zeta*( &
36748  +c2*e_0_2_0&
36749  +2*e_1_2_0 &
36750  -4*e_0_1_0)
36751  e_0_2_1 = zetb*( &
36752  +c3*e_0_2_0&
36753  +2*e_1_2_0 &
36754  )
36755  e_1_3_0 = zeta*( c1*e_0_2_0 &
36756  +c2*e_1_2_0&
36757  +4*e_2_2_0 &
36758  -4*e_1_1_0)
36759  e_1_2_1 = zetb*( c1*e_0_2_0 &
36760  +c3*e_1_2_0&
36761  +4*e_2_2_0 &
36762  )
36763  e_2_3_0 = zeta*( c1*e_1_2_0 &
36764  +c2*e_2_2_0&
36765 
36766  )
36767  e_2_2_1 = zetb*( c1*e_1_2_0 &
36768  +c3*e_2_2_0&
36769 
36770  )
36771  e_3_3_0 = zeta*( c1*e_2_2_0 &
36772 
36773 
36774  )
36775  e_3_2_1 = zetb*( c1*e_2_2_0 &
36776 
36777 
36778  )
36779  e_0_3_1 = zetb*( &
36780  +c3*e_0_3_0&
36781  +2*e_1_3_0 &
36782  )
36783  e_1_3_1 = zetb*( c1*e_0_3_0 &
36784  +c3*e_1_3_0&
36785  +4*e_2_3_0 &
36786  )
36787  e_2_3_1 = zetb*( c1*e_1_3_0 &
36788  +c3*e_2_3_0&
36789  +6*e_3_3_0 &
36790  )
36791  e_3_3_1 = zetb*( c1*e_2_3_0 &
36792  +c3*e_3_3_0&
36793 
36794  )
36795  e_4_3_1 = zetb*( c1*e_3_3_0 &
36796 
36797 
36798  )
36799  e_0_1_1 = zeta*( &
36800  +c2*e_0_0_1&
36801  +2*e_1_0_1 &
36802  )
36803  e_0_0_2 = zetb*( &
36804  +c3*e_0_0_1&
36805  +2*e_1_0_1 &
36806  -2*e_0_0_0)
36807  e_1_1_1 = zeta*( c1*e_0_0_1 &
36808  +c2*e_1_0_1&
36809 
36810  )
36811  e_1_0_2 = zetb*( c1*e_0_0_1 &
36812  +c3*e_1_0_1&
36813 
36814  )
36815  e_2_1_1 = zeta*( c1*e_1_0_1 &
36816 
36817 
36818  )
36819  e_2_0_2 = zetb*( c1*e_1_0_1 &
36820 
36821 
36822  )
36823  e_0_2_1 = zeta*( &
36824  +c2*e_0_1_1&
36825  +2*e_1_1_1 &
36826  -2*e_0_0_1)
36827  e_0_1_2 = zetb*( &
36828  +c3*e_0_1_1&
36829  +2*e_1_1_1 &
36830  -2*e_0_1_0)
36831  e_1_2_1 = zeta*( c1*e_0_1_1 &
36832  +c2*e_1_1_1&
36833  +4*e_2_1_1 &
36834  -2*e_1_0_1)
36835  e_1_1_2 = zetb*( c1*e_0_1_1 &
36836  +c3*e_1_1_1&
36837  +4*e_2_1_1 &
36838  -2*e_1_1_0)
36839  e_2_2_1 = zeta*( c1*e_1_1_1 &
36840  +c2*e_2_1_1&
36841 
36842  )
36843  e_2_1_2 = zetb*( c1*e_1_1_1 &
36844  +c3*e_2_1_1&
36845 
36846  )
36847  e_3_2_1 = zeta*( c1*e_2_1_1 &
36848 
36849 
36850  )
36851  e_3_1_2 = zetb*( c1*e_2_1_1 &
36852 
36853 
36854  )
36855  e_0_3_1 = zeta*( &
36856  +c2*e_0_2_1&
36857  +2*e_1_2_1 &
36858  -4*e_0_1_1)
36859  e_0_2_2 = zetb*( &
36860  +c3*e_0_2_1&
36861  +2*e_1_2_1 &
36862  -2*e_0_2_0)
36863  e_1_3_1 = zeta*( c1*e_0_2_1 &
36864  +c2*e_1_2_1&
36865  +4*e_2_2_1 &
36866  -4*e_1_1_1)
36867  e_1_2_2 = zetb*( c1*e_0_2_1 &
36868  +c3*e_1_2_1&
36869  +4*e_2_2_1 &
36870  -2*e_1_2_0)
36871  e_2_3_1 = zeta*( c1*e_1_2_1 &
36872  +c2*e_2_2_1&
36873  +6*e_3_2_1 &
36874  -4*e_2_1_1)
36875  e_2_2_2 = zetb*( c1*e_1_2_1 &
36876  +c3*e_2_2_1&
36877  +6*e_3_2_1 &
36878  -2*e_2_2_0)
36879  e_3_3_1 = zeta*( c1*e_2_2_1 &
36880  +c2*e_3_2_1&
36881 
36882  )
36883  e_3_2_2 = zetb*( c1*e_2_2_1 &
36884  +c3*e_3_2_1&
36885 
36886  )
36887  e_4_3_1 = zeta*( c1*e_3_2_1 &
36888 
36889 
36890  )
36891  e_4_2_2 = zetb*( c1*e_3_2_1 &
36892 
36893 
36894  )
36895  e_0_3_2 = zetb*( &
36896  +c3*e_0_3_1&
36897  +2*e_1_3_1 &
36898  -2*e_0_3_0)
36899  e_1_3_2 = zetb*( c1*e_0_3_1 &
36900  +c3*e_1_3_1&
36901  +4*e_2_3_1 &
36902  -2*e_1_3_0)
36903  e_2_3_2 = zetb*( c1*e_1_3_1 &
36904  +c3*e_2_3_1&
36905  +6*e_3_3_1 &
36906  -2*e_2_3_0)
36907  e_3_3_2 = zetb*( c1*e_2_3_1 &
36908  +c3*e_3_3_1&
36909  +8*e_4_3_1 &
36910  -2*e_3_3_0)
36911  e_4_3_2 = zetb*( c1*e_3_3_1 &
36912  +c3*e_4_3_1&
36913 
36914  )
36915  e_5_3_2 = zetb*( c1*e_4_3_1 &
36916 
36917 
36918  )
36919  e_0_1_2 = zeta*( &
36920  +c2*e_0_0_2&
36921  +2*e_1_0_2 &
36922  )
36923  e_0_0_3 = zetb*( &
36924  +c3*e_0_0_2&
36925  +2*e_1_0_2 &
36926  -4*e_0_0_1)
36927  e_1_1_2 = zeta*( c1*e_0_0_2 &
36928  +c2*e_1_0_2&
36929  +4*e_2_0_2 &
36930  )
36931  e_1_0_3 = zetb*( c1*e_0_0_2 &
36932  +c3*e_1_0_2&
36933  +4*e_2_0_2 &
36934  -4*e_1_0_1)
36935  e_2_1_2 = zeta*( c1*e_1_0_2 &
36936  +c2*e_2_0_2&
36937 
36938  )
36939  e_2_0_3 = zetb*( c1*e_1_0_2 &
36940  +c3*e_2_0_2&
36941 
36942  )
36943  e_3_1_2 = zeta*( c1*e_2_0_2 &
36944 
36945 
36946  )
36947  e_3_0_3 = zetb*( c1*e_2_0_2 &
36948 
36949 
36950  )
36951  e_0_2_2 = zeta*( &
36952  +c2*e_0_1_2&
36953  +2*e_1_1_2 &
36954  -2*e_0_0_2)
36955  e_0_1_3 = zetb*( &
36956  +c3*e_0_1_2&
36957  +2*e_1_1_2 &
36958  -4*e_0_1_1)
36959  e_1_2_2 = zeta*( c1*e_0_1_2 &
36960  +c2*e_1_1_2&
36961  +4*e_2_1_2 &
36962  -2*e_1_0_2)
36963  e_1_1_3 = zetb*( c1*e_0_1_2 &
36964  +c3*e_1_1_2&
36965  +4*e_2_1_2 &
36966  -4*e_1_1_1)
36967  e_2_2_2 = zeta*( c1*e_1_1_2 &
36968  +c2*e_2_1_2&
36969  +6*e_3_1_2 &
36970  -2*e_2_0_2)
36971  e_2_1_3 = zetb*( c1*e_1_1_2 &
36972  +c3*e_2_1_2&
36973  +6*e_3_1_2 &
36974  -4*e_2_1_1)
36975  e_3_2_2 = zeta*( c1*e_2_1_2 &
36976  +c2*e_3_1_2&
36977 
36978  )
36979  e_3_1_3 = zetb*( c1*e_2_1_2 &
36980  +c3*e_3_1_2&
36981 
36982  )
36983  e_4_2_2 = zeta*( c1*e_3_1_2 &
36984 
36985 
36986  )
36987  e_4_1_3 = zetb*( c1*e_3_1_2 &
36988 
36989 
36990  )
36991  e_0_3_2 = zeta*( &
36992  +c2*e_0_2_2&
36993  +2*e_1_2_2 &
36994  -4*e_0_1_2)
36995  e_0_2_3 = zetb*( &
36996  +c3*e_0_2_2&
36997  +2*e_1_2_2 &
36998  -4*e_0_2_1)
36999  e_1_3_2 = zeta*( c1*e_0_2_2 &
37000  +c2*e_1_2_2&
37001  +4*e_2_2_2 &
37002  -4*e_1_1_2)
37003  e_1_2_3 = zetb*( c1*e_0_2_2 &
37004  +c3*e_1_2_2&
37005  +4*e_2_2_2 &
37006  -4*e_1_2_1)
37007  e_2_3_2 = zeta*( c1*e_1_2_2 &
37008  +c2*e_2_2_2&
37009  +6*e_3_2_2 &
37010  -4*e_2_1_2)
37011  e_2_2_3 = zetb*( c1*e_1_2_2 &
37012  +c3*e_2_2_2&
37013  +6*e_3_2_2 &
37014  -4*e_2_2_1)
37015  e_3_3_2 = zeta*( c1*e_2_2_2 &
37016  +c2*e_3_2_2&
37017  +8*e_4_2_2 &
37018  -4*e_3_1_2)
37019  e_3_2_3 = zetb*( c1*e_2_2_2 &
37020  +c3*e_3_2_2&
37021  +8*e_4_2_2 &
37022  -4*e_3_2_1)
37023  e_4_3_2 = zeta*( c1*e_3_2_2 &
37024  +c2*e_4_2_2&
37025 
37026  )
37027  e_4_2_3 = zetb*( c1*e_3_2_2 &
37028  +c3*e_4_2_2&
37029 
37030  )
37031  e_5_3_2 = zeta*( c1*e_4_2_2 &
37032 
37033 
37034  )
37035  e_5_2_3 = zetb*( c1*e_4_2_2 &
37036 
37037 
37038  )
37039  e_0_3_3 = zetb*( &
37040  +c3*e_0_3_2&
37041  +2*e_1_3_2 &
37042  -4*e_0_3_1)
37043  e_1_3_3 = zetb*( c1*e_0_3_2 &
37044  +c3*e_1_3_2&
37045  +4*e_2_3_2 &
37046  -4*e_1_3_1)
37047  e_2_3_3 = zetb*( c1*e_1_3_2 &
37048  +c3*e_2_3_2&
37049  +6*e_3_3_2 &
37050  -4*e_2_3_1)
37051  e_3_3_3 = zetb*( c1*e_2_3_2 &
37052  +c3*e_3_3_2&
37053  +8*e_4_3_2 &
37054  -4*e_3_3_1)
37055  e_4_3_3 = zetb*( c1*e_3_3_2 &
37056  +c3*e_4_3_2&
37057  +10*e_5_3_2 &
37058  -4*e_4_3_1)
37059  e_5_3_3 = zetb*( c1*e_4_3_2 &
37060  +c3*e_5_3_2&
37061 
37062  )
37063  e_6_3_3 = zetb*( c1*e_5_3_2 &
37064 
37065 
37066  )
37067  e_0_1_3 = zeta*( &
37068  +c2*e_0_0_3&
37069  +2*e_1_0_3 &
37070  )
37071  e_0_0_4 = zetb*( &
37072  +c3*e_0_0_3&
37073  +2*e_1_0_3 &
37074  -6*e_0_0_2)
37075  e_1_1_3 = zeta*( c1*e_0_0_3 &
37076  +c2*e_1_0_3&
37077  +4*e_2_0_3 &
37078  )
37079  e_1_0_4 = zetb*( c1*e_0_0_3 &
37080  +c3*e_1_0_3&
37081  +4*e_2_0_3 &
37082  -6*e_1_0_2)
37083  e_2_1_3 = zeta*( c1*e_1_0_3 &
37084  +c2*e_2_0_3&
37085  +6*e_3_0_3 &
37086  )
37087  e_2_0_4 = zetb*( c1*e_1_0_3 &
37088  +c3*e_2_0_3&
37089  +6*e_3_0_3 &
37090  -6*e_2_0_2)
37091  e_3_1_3 = zeta*( c1*e_2_0_3 &
37092  +c2*e_3_0_3&
37093 
37094  )
37095  e_3_0_4 = zetb*( c1*e_2_0_3 &
37096  +c3*e_3_0_3&
37097 
37098  )
37099  e_4_1_3 = zeta*( c1*e_3_0_3 &
37100 
37101 
37102  )
37103  e_4_0_4 = zetb*( c1*e_3_0_3 &
37104 
37105 
37106  )
37107  e_0_2_3 = zeta*( &
37108  +c2*e_0_1_3&
37109  +2*e_1_1_3 &
37110  -2*e_0_0_3)
37111  e_0_1_4 = zetb*( &
37112  +c3*e_0_1_3&
37113  +2*e_1_1_3 &
37114  -6*e_0_1_2)
37115  e_1_2_3 = zeta*( c1*e_0_1_3 &
37116  +c2*e_1_1_3&
37117  +4*e_2_1_3 &
37118  -2*e_1_0_3)
37119  e_1_1_4 = zetb*( c1*e_0_1_3 &
37120  +c3*e_1_1_3&
37121  +4*e_2_1_3 &
37122  -6*e_1_1_2)
37123  e_2_2_3 = zeta*( c1*e_1_1_3 &
37124  +c2*e_2_1_3&
37125  +6*e_3_1_3 &
37126  -2*e_2_0_3)
37127  e_2_1_4 = zetb*( c1*e_1_1_3 &
37128  +c3*e_2_1_3&
37129  +6*e_3_1_3 &
37130  -6*e_2_1_2)
37131  e_3_2_3 = zeta*( c1*e_2_1_3 &
37132  +c2*e_3_1_3&
37133  +8*e_4_1_3 &
37134  -2*e_3_0_3)
37135  e_3_1_4 = zetb*( c1*e_2_1_3 &
37136  +c3*e_3_1_3&
37137  +8*e_4_1_3 &
37138  -6*e_3_1_2)
37139  e_4_2_3 = zeta*( c1*e_3_1_3 &
37140  +c2*e_4_1_3&
37141 
37142  )
37143  e_4_1_4 = zetb*( c1*e_3_1_3 &
37144  +c3*e_4_1_3&
37145 
37146  )
37147  e_5_2_3 = zeta*( c1*e_4_1_3 &
37148 
37149 
37150  )
37151  e_5_1_4 = zetb*( c1*e_4_1_3 &
37152 
37153 
37154  )
37155  e_0_3_3 = zeta*( &
37156  +c2*e_0_2_3&
37157  +2*e_1_2_3 &
37158  -4*e_0_1_3)
37159  e_0_2_4 = zetb*( &
37160  +c3*e_0_2_3&
37161  +2*e_1_2_3 &
37162  -6*e_0_2_2)
37163  e_1_3_3 = zeta*( c1*e_0_2_3 &
37164  +c2*e_1_2_3&
37165  +4*e_2_2_3 &
37166  -4*e_1_1_3)
37167  e_1_2_4 = zetb*( c1*e_0_2_3 &
37168  +c3*e_1_2_3&
37169  +4*e_2_2_3 &
37170  -6*e_1_2_2)
37171  e_2_3_3 = zeta*( c1*e_1_2_3 &
37172  +c2*e_2_2_3&
37173  +6*e_3_2_3 &
37174  -4*e_2_1_3)
37175  e_2_2_4 = zetb*( c1*e_1_2_3 &
37176  +c3*e_2_2_3&
37177  +6*e_3_2_3 &
37178  -6*e_2_2_2)
37179  e_3_3_3 = zeta*( c1*e_2_2_3 &
37180  +c2*e_3_2_3&
37181  +8*e_4_2_3 &
37182  -4*e_3_1_3)
37183  e_3_2_4 = zetb*( c1*e_2_2_3 &
37184  +c3*e_3_2_3&
37185  +8*e_4_2_3 &
37186  -6*e_3_2_2)
37187  e_4_3_3 = zeta*( c1*e_3_2_3 &
37188  +c2*e_4_2_3&
37189  +10*e_5_2_3 &
37190  -4*e_4_1_3)
37191  e_4_2_4 = zetb*( c1*e_3_2_3 &
37192  +c3*e_4_2_3&
37193  +10*e_5_2_3 &
37194  -6*e_4_2_2)
37195  e_5_3_3 = zeta*( c1*e_4_2_3 &
37196  +c2*e_5_2_3&
37197 
37198  )
37199  e_5_2_4 = zetb*( c1*e_4_2_3 &
37200  +c3*e_5_2_3&
37201 
37202  )
37203  e_6_3_3 = zeta*( c1*e_5_2_3 &
37204 
37205 
37206  )
37207  e_6_2_4 = zetb*( c1*e_5_2_3 &
37208 
37209 
37210  )
37211  e_0_3_4 = zetb*( &
37212  +c3*e_0_3_3&
37213  +2*e_1_3_3 &
37214  -6*e_0_3_2)
37215  e_1_3_4 = zetb*( c1*e_0_3_3 &
37216  +c3*e_1_3_3&
37217  +4*e_2_3_3 &
37218  -6*e_1_3_2)
37219  e_2_3_4 = zetb*( c1*e_1_3_3 &
37220  +c3*e_2_3_3&
37221  +6*e_3_3_3 &
37222  -6*e_2_3_2)
37223  e_3_3_4 = zetb*( c1*e_2_3_3 &
37224  +c3*e_3_3_3&
37225  +8*e_4_3_3 &
37226  -6*e_3_3_2)
37227  e_4_3_4 = zetb*( c1*e_3_3_3 &
37228  +c3*e_4_3_3&
37229  +10*e_5_3_3 &
37230  -6*e_4_3_2)
37231  e_5_3_4 = zetb*( c1*e_4_3_3 &
37232  +c3*e_5_3_3&
37233  +12*e_6_3_3 &
37234  -6*e_5_3_2)
37235  e_6_3_4 = zetb*( c1*e_5_3_3 &
37236  +c3*e_6_3_3&
37237 
37238  )
37239  e_7_3_4 = zetb*( c1*e_6_3_3 &
37240 
37241 
37242  )
37243  e_0_1_4 = zeta*( &
37244  +c2*e_0_0_4&
37245  +2*e_1_0_4 &
37246  )
37247  e_1_1_4 = zeta*( c1*e_0_0_4 &
37248  +c2*e_1_0_4&
37249  +4*e_2_0_4 &
37250  )
37251  e_2_1_4 = zeta*( c1*e_1_0_4 &
37252  +c2*e_2_0_4&
37253  +6*e_3_0_4 &
37254  )
37255  e_3_1_4 = zeta*( c1*e_2_0_4 &
37256  +c2*e_3_0_4&
37257  +8*e_4_0_4 &
37258  )
37259  e_4_1_4 = zeta*( c1*e_3_0_4 &
37260  +c2*e_4_0_4&
37261 
37262  )
37263  e_5_1_4 = zeta*( c1*e_4_0_4 &
37264 
37265 
37266  )
37267  e_0_2_4 = zeta*( &
37268  +c2*e_0_1_4&
37269  +2*e_1_1_4 &
37270  -2*e_0_0_4)
37271  e_1_2_4 = zeta*( c1*e_0_1_4 &
37272  +c2*e_1_1_4&
37273  +4*e_2_1_4 &
37274  -2*e_1_0_4)
37275  e_2_2_4 = zeta*( c1*e_1_1_4 &
37276  +c2*e_2_1_4&
37277  +6*e_3_1_4 &
37278  -2*e_2_0_4)
37279  e_3_2_4 = zeta*( c1*e_2_1_4 &
37280  +c2*e_3_1_4&
37281  +8*e_4_1_4 &
37282  -2*e_3_0_4)
37283  e_4_2_4 = zeta*( c1*e_3_1_4 &
37284  +c2*e_4_1_4&
37285  +10*e_5_1_4 &
37286  -2*e_4_0_4)
37287  e_5_2_4 = zeta*( c1*e_4_1_4 &
37288  +c2*e_5_1_4&
37289 
37290  )
37291  e_6_2_4 = zeta*( c1*e_5_1_4 &
37292 
37293 
37294  )
37295  e_0_3_4 = zeta*( &
37296  +c2*e_0_2_4&
37297  +2*e_1_2_4 &
37298  -4*e_0_1_4)
37299  e_1_3_4 = zeta*( c1*e_0_2_4 &
37300  +c2*e_1_2_4&
37301  +4*e_2_2_4 &
37302  -4*e_1_1_4)
37303  e_2_3_4 = zeta*( c1*e_1_2_4 &
37304  +c2*e_2_2_4&
37305  +6*e_3_2_4 &
37306  -4*e_2_1_4)
37307  e_3_3_4 = zeta*( c1*e_2_2_4 &
37308  +c2*e_3_2_4&
37309  +8*e_4_2_4 &
37310  -4*e_3_1_4)
37311  e_4_3_4 = zeta*( c1*e_3_2_4 &
37312  +c2*e_4_2_4&
37313  +10*e_5_2_4 &
37314  -4*e_4_1_4)
37315  e_5_3_4 = zeta*( c1*e_4_2_4 &
37316  +c2*e_5_2_4&
37317  +12*e_6_2_4 &
37318  -4*e_5_1_4)
37319  e_6_3_4 = zeta*( c1*e_5_2_4 &
37320  +c2*e_6_2_4&
37321 
37322  )
37323  e_7_3_4 = zeta*( c1*e_6_2_4 &
37324 
37325 
37326  )
37327 
37328  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
37329  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
37330  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
37331  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
37332  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
37333  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
37334  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
37335  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
37336  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
37337  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
37338  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
37339  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
37340  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
37341  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
37342  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
37343  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
37344  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
37345  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
37346  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
37347  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
37348  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
37349  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
37350  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
37351  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
37352  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
37353  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
37354  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
37355  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
37356  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
37357  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
37358  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
37359  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
37360  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
37361  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
37362  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
37363  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
37364  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
37365  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
37366  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
37367  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
37368  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
37369  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
37370  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
37371  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
37372  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
37373  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
37374  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
37375  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
37376  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
37377  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
37378  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
37379  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
37380  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
37381  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
37382  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
37383  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
37384  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
37385  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
37386  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
37387  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
37388  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
37389  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
37390  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
37391  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
37392  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
37393  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
37394  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
37395  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
37396  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
37397  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
37398  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
37399  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
37400  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
37401  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
37402  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
37403  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
37404  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
37405  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
37406  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
37407  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
37408  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
37409  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
37410  s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
37411  s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
37412  s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
37413  s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
37414  s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
37415  s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
37416  s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
37417  s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
37418  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
37419  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
37420  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
37421  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
37422  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
37423  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
37424  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
37425  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
37426  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
37427  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
37428  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
37429  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
37430  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
37431  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
37432  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
37433  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
37434  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
37435  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
37436  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
37437  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
37438  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
37439  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
37440  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
37441  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
37442  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
37443  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
37444  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
37445  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
37446  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
37447  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
37448  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
37449  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
37450  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
37451  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
37452  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
37453  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
37454  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
37455  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
37456  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
37457  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
37458  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
37459  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
37460  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
37461  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
37462  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
37463  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
37464  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
37465  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
37466  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
37467  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
37468  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
37469  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
37470  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
37471  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
37472  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
37473  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
37474  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
37475  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
37476  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
37477  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
37478  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
37479  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
37480  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
37481  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
37482  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
37483  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
37484  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
37485  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
37486  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
37487  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
37488  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
37489  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
37490  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
37491  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
37492  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
37493  s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
37494  s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
37495  s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
37496  s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
37497  s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
37498  s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
37499  s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
37500  s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
37501  s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
37502  s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
37503  s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
37504  s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
37505  s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
37506  s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
37507  s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
37508  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
37509  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
37510  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
37511  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
37512  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
37513  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
37514  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
37515  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
37516  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
37517  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
37518  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
37519  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
37520  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
37521  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
37522  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
37523  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
37524  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
37525  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
37526  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
37527  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
37528  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
37529  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
37530  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
37531  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
37532  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
37533  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
37534  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
37535  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
37536  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
37537  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
37538  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
37539  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
37540  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
37541  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
37542  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
37543  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
37544  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
37545  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
37546  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
37547  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
37548  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
37549  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
37550  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
37551  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
37552  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
37553  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
37554  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
37555  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
37556  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
37557  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
37558  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
37559  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
37560  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
37561  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
37562  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
37563  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
37564  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
37565  s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
37566  s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
37567  s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
37568  s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
37569  s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
37570  s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
37571  s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
37572  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
37573  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
37574  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
37575  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
37576  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
37577  s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
37578  s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
37579  s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
37580  s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
37581  s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
37582  s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
37583  s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
37584  s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
37585  s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
37586  s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
37587  s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
37588  s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
37589  s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
37590  s_r(3, 4, 2) = s_r(3, 4, 2) + e_0_3_4*(1)*s_r_t2_2 ! cost: 5 flops
37591  s_r(3, 4, 2) = s_r(3, 4, 2) + e_1_3_4*(1)*s_r_t2_3 ! cost: 5 flops
37592  s_r(3, 4, 2) = s_r(3, 4, 2) + e_2_3_4*(1)*s_r_t2_4 ! cost: 5 flops
37593  s_r(3, 4, 2) = s_r(3, 4, 2) + e_3_3_4*(1)*s_r_t2_5 ! cost: 5 flops
37594  s_r(3, 4, 2) = s_r(3, 4, 2) + e_4_3_4*(1)*s_r_t2_6 ! cost: 5 flops
37595  s_r(3, 4, 2) = s_r(3, 4, 2) + e_5_3_4*(1)*s_r_t2_7 ! cost: 5 flops
37596  s_r(3, 4, 2) = s_r(3, 4, 2) + e_6_3_4*(1)*s_r_t2_8 ! cost: 5 flops
37597  s_r(3, 4, 2) = s_r(3, 4, 2) + e_7_3_4*(1)*s_r_t2_9 ! cost: 5 flops
37598  r1 = r1 + dr
37599  END DO
37600 
37601  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
37602  END SUBROUTINE
37603  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_4_3_exp_0 ( &
37604  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
37605  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
37606  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
37607  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
37608  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
37609  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
37610  r_pow_t, r_tmp, rr1_delta, rr2_delta
37611 
37612  REAL(kind=dp) :: c1, c2, c3
37613  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
37614  & s_r_t_10
37615  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
37616  & s_r_t2_9, s_r_t2_10
37617  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
37618  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
37619  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
37620  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
37621  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
37622  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
37623  & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10
37624  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
37625  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
37626  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
37627  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
37628  & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3,&
37629  & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
37630  & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4
37631 
37632 
37633  dr = lgth
37634  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
37635 
37636  s_r(:, :, :) = 0.0_dp
37637 
37638  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
37639 
37640  h_to_c_0_0 = sqrt(alpha/pi)
37641 
37642  h_to_c_0_1 = 0.0_dp
37643  h_to_c_1_1 = +2*alpha*h_to_c_0_0
37644  h_to_c_0_2 = -1*h_to_c_1_1
37645  h_to_c_1_2 = +2*alpha*h_to_c_0_1
37646  h_to_c_2_2 = +2*alpha*h_to_c_1_1
37647  h_to_c_0_3 = -1*h_to_c_1_2
37648  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
37649  h_to_c_2_3 = +2*alpha*h_to_c_1_2
37650  h_to_c_3_3 = +2*alpha*h_to_c_2_2
37651  h_to_c_0_4 = -1*h_to_c_1_3
37652  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
37653  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
37654  h_to_c_3_4 = +2*alpha*h_to_c_2_3
37655  h_to_c_4_4 = +2*alpha*h_to_c_3_3
37656  h_to_c_0_5 = -1*h_to_c_1_4
37657  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
37658  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
37659  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
37660  h_to_c_4_5 = +2*alpha*h_to_c_3_4
37661  h_to_c_5_5 = +2*alpha*h_to_c_4_4
37662  h_to_c_0_6 = -1*h_to_c_1_5
37663  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
37664  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
37665  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
37666  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
37667  h_to_c_5_6 = +2*alpha*h_to_c_4_5
37668  h_to_c_6_6 = +2*alpha*h_to_c_5_5
37669  h_to_c_0_7 = -1*h_to_c_1_6
37670  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
37671  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
37672  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
37673  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
37674  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
37675  h_to_c_6_7 = +2*alpha*h_to_c_5_6
37676  h_to_c_7_7 = +2*alpha*h_to_c_6_6
37677  h_to_c_0_8 = -1*h_to_c_1_7
37678  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
37679  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
37680  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
37681  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
37682  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
37683  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
37684  h_to_c_7_8 = +2*alpha*h_to_c_6_7
37685  h_to_c_8_8 = +2*alpha*h_to_c_7_7
37686  h_to_c_0_9 = -1*h_to_c_1_8
37687  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
37688  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
37689  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
37690  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
37691  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
37692  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
37693  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
37694  h_to_c_8_9 = +2*alpha*h_to_c_7_8
37695  h_to_c_9_9 = +2*alpha*h_to_c_8_8
37696  h_to_c_0_10 = -1*h_to_c_1_9
37697  h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
37698  h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
37699  h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
37700  h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
37701  h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
37702  h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
37703  h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
37704  h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
37705  h_to_c_9_10 = +2*alpha*h_to_c_8_9
37706  h_to_c_10_10 = +2*alpha*h_to_c_9_9
37707 
37708 
37709  rr1_delta = (ra - rb)/dr
37710 
37711  rr1_l = ceiling(-r_c(1) + rr1_delta)
37712  rr1_r = floor(r_c(1) + rr1_delta)
37713 
37714  r1 = rr1_l*dr
37715 
37716  alpha_e = zeta*zetb/(zeta + zetb)
37717 
37718  DO rr1 = rr1_l, rr1_r
37719  s_r_t_0 = 0.0_dp
37720  s_r_t2_0 = 0.0_dp
37721  s_r_t_1 = 0.0_dp
37722  s_r_t2_1 = 0.0_dp
37723  s_r_t_2 = 0.0_dp
37724  s_r_t2_2 = 0.0_dp
37725  s_r_t_3 = 0.0_dp
37726  s_r_t2_3 = 0.0_dp
37727  s_r_t_4 = 0.0_dp
37728  s_r_t2_4 = 0.0_dp
37729  s_r_t_5 = 0.0_dp
37730  s_r_t2_5 = 0.0_dp
37731  s_r_t_6 = 0.0_dp
37732  s_r_t2_6 = 0.0_dp
37733  s_r_t_7 = 0.0_dp
37734  s_r_t2_7 = 0.0_dp
37735  s_r_t_8 = 0.0_dp
37736  s_r_t2_8 = 0.0_dp
37737  s_r_t_9 = 0.0_dp
37738  s_r_t2_9 = 0.0_dp
37739  s_r_t_10 = 0.0_dp
37740  s_r_t2_10 = 0.0_dp
37741  r_tmp = r_offset + r1*zeta/(zeta + zetb)
37742  rr2_delta = -r_tmp/dr
37743 
37744  rr2_l = ceiling(-r_c(2) + rr2_delta)
37745  rr2_r = floor(r_c(2) + rr2_delta)
37746 
37747  r = r_tmp + (rr2_l)*dr
37748 
37749 
37750  DO rr2 = rr2_l, rr2_r
37751  r_pow_t = 1.0_dp
37752  exp2_rsq = exp(-alpha*r*r)
37753  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
37754  r_pow_t = r_pow_t*r
37755  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
37756  r_pow_t = r_pow_t*r
37757  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
37758  r_pow_t = r_pow_t*r
37759  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
37760  r_pow_t = r_pow_t*r
37761  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
37762  r_pow_t = r_pow_t*r
37763  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
37764  r_pow_t = r_pow_t*r
37765  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
37766  r_pow_t = r_pow_t*r
37767  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
37768  r_pow_t = r_pow_t*r
37769  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
37770  r_pow_t = r_pow_t*r
37771  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
37772  r_pow_t = r_pow_t*r
37773  s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
37774 
37775  r = r + dr
37776  END DO
37777 
37778  ! C --> H
37779  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
37780  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
37781  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
37782  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
37783  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
37784  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
37785  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
37786  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
37787  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
37788  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
37789  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
37790  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
37791  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
37792  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
37793  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
37794  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
37795  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
37796  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
37797  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
37798  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
37799  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
37800  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
37801  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
37802  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
37803  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
37804  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
37805  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
37806  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
37807  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
37808  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
37809  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
37810  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
37811  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
37812  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
37813  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
37814  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
37815  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
37816  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
37817  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
37818  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
37819  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
37820  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
37821  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
37822  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
37823  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
37824  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
37825  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
37826  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
37827  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
37828  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
37829  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
37830  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
37831  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
37832  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
37833  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
37834  s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
37835  s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
37836  s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
37837  s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
37838  s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
37839  s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
37840  s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
37841  s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
37842  s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
37843  s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
37844  s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
37845 
37846  ! H --> HH
37847  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
37848 
37849  c1 = 1.0_dp/(zeta + zetb)
37850  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
37851  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
37852 
37853  e_0_1_0 = zeta*( &
37854  +c2*e_0_0_0&
37855 
37856  )
37857  e_0_0_1 = zetb*( &
37858  +c3*e_0_0_0&
37859 
37860  )
37861  e_1_1_0 = zeta*( c1*e_0_0_0 &
37862 
37863 
37864  )
37865  e_1_0_1 = zetb*( c1*e_0_0_0 &
37866 
37867 
37868  )
37869  e_0_2_0 = zeta*( &
37870  +c2*e_0_1_0&
37871  +2*e_1_1_0 &
37872  -2*e_0_0_0)
37873  e_0_1_1 = zetb*( &
37874  +c3*e_0_1_0&
37875  +2*e_1_1_0 &
37876  )
37877  e_1_2_0 = zeta*( c1*e_0_1_0 &
37878  +c2*e_1_1_0&
37879 
37880  )
37881  e_1_1_1 = zetb*( c1*e_0_1_0 &
37882  +c3*e_1_1_0&
37883 
37884  )
37885  e_2_2_0 = zeta*( c1*e_1_1_0 &
37886 
37887 
37888  )
37889  e_2_1_1 = zetb*( c1*e_1_1_0 &
37890 
37891 
37892  )
37893  e_0_3_0 = zeta*( &
37894  +c2*e_0_2_0&
37895  +2*e_1_2_0 &
37896  -4*e_0_1_0)
37897  e_0_2_1 = zetb*( &
37898  +c3*e_0_2_0&
37899  +2*e_1_2_0 &
37900  )
37901  e_1_3_0 = zeta*( c1*e_0_2_0 &
37902  +c2*e_1_2_0&
37903  +4*e_2_2_0 &
37904  -4*e_1_1_0)
37905  e_1_2_1 = zetb*( c1*e_0_2_0 &
37906  +c3*e_1_2_0&
37907  +4*e_2_2_0 &
37908  )
37909  e_2_3_0 = zeta*( c1*e_1_2_0 &
37910  +c2*e_2_2_0&
37911 
37912  )
37913  e_2_2_1 = zetb*( c1*e_1_2_0 &
37914  +c3*e_2_2_0&
37915 
37916  )
37917  e_3_3_0 = zeta*( c1*e_2_2_0 &
37918 
37919 
37920  )
37921  e_3_2_1 = zetb*( c1*e_2_2_0 &
37922 
37923 
37924  )
37925  e_0_3_1 = zetb*( &
37926  +c3*e_0_3_0&
37927  +2*e_1_3_0 &
37928  )
37929  e_1_3_1 = zetb*( c1*e_0_3_0 &
37930  +c3*e_1_3_0&
37931  +4*e_2_3_0 &
37932  )
37933  e_2_3_1 = zetb*( c1*e_1_3_0 &
37934  +c3*e_2_3_0&
37935  +6*e_3_3_0 &
37936  )
37937  e_3_3_1 = zetb*( c1*e_2_3_0 &
37938  +c3*e_3_3_0&
37939 
37940  )
37941  e_4_3_1 = zetb*( c1*e_3_3_0 &
37942 
37943 
37944  )
37945  e_0_1_1 = zeta*( &
37946  +c2*e_0_0_1&
37947  +2*e_1_0_1 &
37948  )
37949  e_0_0_2 = zetb*( &
37950  +c3*e_0_0_1&
37951  +2*e_1_0_1 &
37952  -2*e_0_0_0)
37953  e_1_1_1 = zeta*( c1*e_0_0_1 &
37954  +c2*e_1_0_1&
37955 
37956  )
37957  e_1_0_2 = zetb*( c1*e_0_0_1 &
37958  +c3*e_1_0_1&
37959 
37960  )
37961  e_2_1_1 = zeta*( c1*e_1_0_1 &
37962 
37963 
37964  )
37965  e_2_0_2 = zetb*( c1*e_1_0_1 &
37966 
37967 
37968  )
37969  e_0_2_1 = zeta*( &
37970  +c2*e_0_1_1&
37971  +2*e_1_1_1 &
37972  -2*e_0_0_1)
37973  e_0_1_2 = zetb*( &
37974  +c3*e_0_1_1&
37975  +2*e_1_1_1 &
37976  -2*e_0_1_0)
37977  e_1_2_1 = zeta*( c1*e_0_1_1 &
37978  +c2*e_1_1_1&
37979  +4*e_2_1_1 &
37980  -2*e_1_0_1)
37981  e_1_1_2 = zetb*( c1*e_0_1_1 &
37982  +c3*e_1_1_1&
37983  +4*e_2_1_1 &
37984  -2*e_1_1_0)
37985  e_2_2_1 = zeta*( c1*e_1_1_1 &
37986  +c2*e_2_1_1&
37987 
37988  )
37989  e_2_1_2 = zetb*( c1*e_1_1_1 &
37990  +c3*e_2_1_1&
37991 
37992  )
37993  e_3_2_1 = zeta*( c1*e_2_1_1 &
37994 
37995 
37996  )
37997  e_3_1_2 = zetb*( c1*e_2_1_1 &
37998 
37999 
38000  )
38001  e_0_3_1 = zeta*( &
38002  +c2*e_0_2_1&
38003  +2*e_1_2_1 &
38004  -4*e_0_1_1)
38005  e_0_2_2 = zetb*( &
38006  +c3*e_0_2_1&
38007  +2*e_1_2_1 &
38008  -2*e_0_2_0)
38009  e_1_3_1 = zeta*( c1*e_0_2_1 &
38010  +c2*e_1_2_1&
38011  +4*e_2_2_1 &
38012  -4*e_1_1_1)
38013  e_1_2_2 = zetb*( c1*e_0_2_1 &
38014  +c3*e_1_2_1&
38015  +4*e_2_2_1 &
38016  -2*e_1_2_0)
38017  e_2_3_1 = zeta*( c1*e_1_2_1 &
38018  +c2*e_2_2_1&
38019  +6*e_3_2_1 &
38020  -4*e_2_1_1)
38021  e_2_2_2 = zetb*( c1*e_1_2_1 &
38022  +c3*e_2_2_1&
38023  +6*e_3_2_1 &
38024  -2*e_2_2_0)
38025  e_3_3_1 = zeta*( c1*e_2_2_1 &
38026  +c2*e_3_2_1&
38027 
38028  )
38029  e_3_2_2 = zetb*( c1*e_2_2_1 &
38030  +c3*e_3_2_1&
38031 
38032  )
38033  e_4_3_1 = zeta*( c1*e_3_2_1 &
38034 
38035 
38036  )
38037  e_4_2_2 = zetb*( c1*e_3_2_1 &
38038 
38039 
38040  )
38041  e_0_3_2 = zetb*( &
38042  +c3*e_0_3_1&
38043  +2*e_1_3_1 &
38044  -2*e_0_3_0)
38045  e_1_3_2 = zetb*( c1*e_0_3_1 &
38046  +c3*e_1_3_1&
38047  +4*e_2_3_1 &
38048  -2*e_1_3_0)
38049  e_2_3_2 = zetb*( c1*e_1_3_1 &
38050  +c3*e_2_3_1&
38051  +6*e_3_3_1 &
38052  -2*e_2_3_0)
38053  e_3_3_2 = zetb*( c1*e_2_3_1 &
38054  +c3*e_3_3_1&
38055  +8*e_4_3_1 &
38056  -2*e_3_3_0)
38057  e_4_3_2 = zetb*( c1*e_3_3_1 &
38058  +c3*e_4_3_1&
38059 
38060  )
38061  e_5_3_2 = zetb*( c1*e_4_3_1 &
38062 
38063 
38064  )
38065  e_0_1_2 = zeta*( &
38066  +c2*e_0_0_2&
38067  +2*e_1_0_2 &
38068  )
38069  e_0_0_3 = zetb*( &
38070  +c3*e_0_0_2&
38071  +2*e_1_0_2 &
38072  -4*e_0_0_1)
38073  e_1_1_2 = zeta*( c1*e_0_0_2 &
38074  +c2*e_1_0_2&
38075  +4*e_2_0_2 &
38076  )
38077  e_1_0_3 = zetb*( c1*e_0_0_2 &
38078  +c3*e_1_0_2&
38079  +4*e_2_0_2 &
38080  -4*e_1_0_1)
38081  e_2_1_2 = zeta*( c1*e_1_0_2 &
38082  +c2*e_2_0_2&
38083 
38084  )
38085  e_2_0_3 = zetb*( c1*e_1_0_2 &
38086  +c3*e_2_0_2&
38087 
38088  )
38089  e_3_1_2 = zeta*( c1*e_2_0_2 &
38090 
38091 
38092  )
38093  e_3_0_3 = zetb*( c1*e_2_0_2 &
38094 
38095 
38096  )
38097  e_0_2_2 = zeta*( &
38098  +c2*e_0_1_2&
38099  +2*e_1_1_2 &
38100  -2*e_0_0_2)
38101  e_0_1_3 = zetb*( &
38102  +c3*e_0_1_2&
38103  +2*e_1_1_2 &
38104  -4*e_0_1_1)
38105  e_1_2_2 = zeta*( c1*e_0_1_2 &
38106  +c2*e_1_1_2&
38107  +4*e_2_1_2 &
38108  -2*e_1_0_2)
38109  e_1_1_3 = zetb*( c1*e_0_1_2 &
38110  +c3*e_1_1_2&
38111  +4*e_2_1_2 &
38112  -4*e_1_1_1)
38113  e_2_2_2 = zeta*( c1*e_1_1_2 &
38114  +c2*e_2_1_2&
38115  +6*e_3_1_2 &
38116  -2*e_2_0_2)
38117  e_2_1_3 = zetb*( c1*e_1_1_2 &
38118  +c3*e_2_1_2&
38119  +6*e_3_1_2 &
38120  -4*e_2_1_1)
38121  e_3_2_2 = zeta*( c1*e_2_1_2 &
38122  +c2*e_3_1_2&
38123 
38124  )
38125  e_3_1_3 = zetb*( c1*e_2_1_2 &
38126  +c3*e_3_1_2&
38127 
38128  )
38129  e_4_2_2 = zeta*( c1*e_3_1_2 &
38130 
38131 
38132  )
38133  e_4_1_3 = zetb*( c1*e_3_1_2 &
38134 
38135 
38136  )
38137  e_0_3_2 = zeta*( &
38138  +c2*e_0_2_2&
38139  +2*e_1_2_2 &
38140  -4*e_0_1_2)
38141  e_0_2_3 = zetb*( &
38142  +c3*e_0_2_2&
38143  +2*e_1_2_2 &
38144  -4*e_0_2_1)
38145  e_1_3_2 = zeta*( c1*e_0_2_2 &
38146  +c2*e_1_2_2&
38147  +4*e_2_2_2 &
38148  -4*e_1_1_2)
38149  e_1_2_3 = zetb*( c1*e_0_2_2 &
38150  +c3*e_1_2_2&
38151  +4*e_2_2_2 &
38152  -4*e_1_2_1)
38153  e_2_3_2 = zeta*( c1*e_1_2_2 &
38154  +c2*e_2_2_2&
38155  +6*e_3_2_2 &
38156  -4*e_2_1_2)
38157  e_2_2_3 = zetb*( c1*e_1_2_2 &
38158  +c3*e_2_2_2&
38159  +6*e_3_2_2 &
38160  -4*e_2_2_1)
38161  e_3_3_2 = zeta*( c1*e_2_2_2 &
38162  +c2*e_3_2_2&
38163  +8*e_4_2_2 &
38164  -4*e_3_1_2)
38165  e_3_2_3 = zetb*( c1*e_2_2_2 &
38166  +c3*e_3_2_2&
38167  +8*e_4_2_2 &
38168  -4*e_3_2_1)
38169  e_4_3_2 = zeta*( c1*e_3_2_2 &
38170  +c2*e_4_2_2&
38171 
38172  )
38173  e_4_2_3 = zetb*( c1*e_3_2_2 &
38174  +c3*e_4_2_2&
38175 
38176  )
38177  e_5_3_2 = zeta*( c1*e_4_2_2 &
38178 
38179 
38180  )
38181  e_5_2_3 = zetb*( c1*e_4_2_2 &
38182 
38183 
38184  )
38185  e_0_3_3 = zetb*( &
38186  +c3*e_0_3_2&
38187  +2*e_1_3_2 &
38188  -4*e_0_3_1)
38189  e_1_3_3 = zetb*( c1*e_0_3_2 &
38190  +c3*e_1_3_2&
38191  +4*e_2_3_2 &
38192  -4*e_1_3_1)
38193  e_2_3_3 = zetb*( c1*e_1_3_2 &
38194  +c3*e_2_3_2&
38195  +6*e_3_3_2 &
38196  -4*e_2_3_1)
38197  e_3_3_3 = zetb*( c1*e_2_3_2 &
38198  +c3*e_3_3_2&
38199  +8*e_4_3_2 &
38200  -4*e_3_3_1)
38201  e_4_3_3 = zetb*( c1*e_3_3_2 &
38202  +c3*e_4_3_2&
38203  +10*e_5_3_2 &
38204  -4*e_4_3_1)
38205  e_5_3_3 = zetb*( c1*e_4_3_2 &
38206  +c3*e_5_3_2&
38207 
38208  )
38209  e_6_3_3 = zetb*( c1*e_5_3_2 &
38210 
38211 
38212  )
38213  e_0_1_3 = zeta*( &
38214  +c2*e_0_0_3&
38215  +2*e_1_0_3 &
38216  )
38217  e_0_0_4 = zetb*( &
38218  +c3*e_0_0_3&
38219  +2*e_1_0_3 &
38220  -6*e_0_0_2)
38221  e_1_1_3 = zeta*( c1*e_0_0_3 &
38222  +c2*e_1_0_3&
38223  +4*e_2_0_3 &
38224  )
38225  e_1_0_4 = zetb*( c1*e_0_0_3 &
38226  +c3*e_1_0_3&
38227  +4*e_2_0_3 &
38228  -6*e_1_0_2)
38229  e_2_1_3 = zeta*( c1*e_1_0_3 &
38230  +c2*e_2_0_3&
38231  +6*e_3_0_3 &
38232  )
38233  e_2_0_4 = zetb*( c1*e_1_0_3 &
38234  +c3*e_2_0_3&
38235  +6*e_3_0_3 &
38236  -6*e_2_0_2)
38237  e_3_1_3 = zeta*( c1*e_2_0_3 &
38238  +c2*e_3_0_3&
38239 
38240  )
38241  e_3_0_4 = zetb*( c1*e_2_0_3 &
38242  +c3*e_3_0_3&
38243 
38244  )
38245  e_4_1_3 = zeta*( c1*e_3_0_3 &
38246 
38247 
38248  )
38249  e_4_0_4 = zetb*( c1*e_3_0_3 &
38250 
38251 
38252  )
38253  e_0_2_3 = zeta*( &
38254  +c2*e_0_1_3&
38255  +2*e_1_1_3 &
38256  -2*e_0_0_3)
38257  e_0_1_4 = zetb*( &
38258  +c3*e_0_1_3&
38259  +2*e_1_1_3 &
38260  -6*e_0_1_2)
38261  e_1_2_3 = zeta*( c1*e_0_1_3 &
38262  +c2*e_1_1_3&
38263  +4*e_2_1_3 &
38264  -2*e_1_0_3)
38265  e_1_1_4 = zetb*( c1*e_0_1_3 &
38266  +c3*e_1_1_3&
38267  +4*e_2_1_3 &
38268  -6*e_1_1_2)
38269  e_2_2_3 = zeta*( c1*e_1_1_3 &
38270  +c2*e_2_1_3&
38271  +6*e_3_1_3 &
38272  -2*e_2_0_3)
38273  e_2_1_4 = zetb*( c1*e_1_1_3 &
38274  +c3*e_2_1_3&
38275  +6*e_3_1_3 &
38276  -6*e_2_1_2)
38277  e_3_2_3 = zeta*( c1*e_2_1_3 &
38278  +c2*e_3_1_3&
38279  +8*e_4_1_3 &
38280  -2*e_3_0_3)
38281  e_3_1_4 = zetb*( c1*e_2_1_3 &
38282  +c3*e_3_1_3&
38283  +8*e_4_1_3 &
38284  -6*e_3_1_2)
38285  e_4_2_3 = zeta*( c1*e_3_1_3 &
38286  +c2*e_4_1_3&
38287 
38288  )
38289  e_4_1_4 = zetb*( c1*e_3_1_3 &
38290  +c3*e_4_1_3&
38291 
38292  )
38293  e_5_2_3 = zeta*( c1*e_4_1_3 &
38294 
38295 
38296  )
38297  e_5_1_4 = zetb*( c1*e_4_1_3 &
38298 
38299 
38300  )
38301  e_0_3_3 = zeta*( &
38302  +c2*e_0_2_3&
38303  +2*e_1_2_3 &
38304  -4*e_0_1_3)
38305  e_0_2_4 = zetb*( &
38306  +c3*e_0_2_3&
38307  +2*e_1_2_3 &
38308  -6*e_0_2_2)
38309  e_1_3_3 = zeta*( c1*e_0_2_3 &
38310  +c2*e_1_2_3&
38311  +4*e_2_2_3 &
38312  -4*e_1_1_3)
38313  e_1_2_4 = zetb*( c1*e_0_2_3 &
38314  +c3*e_1_2_3&
38315  +4*e_2_2_3 &
38316  -6*e_1_2_2)
38317  e_2_3_3 = zeta*( c1*e_1_2_3 &
38318  +c2*e_2_2_3&
38319  +6*e_3_2_3 &
38320  -4*e_2_1_3)
38321  e_2_2_4 = zetb*( c1*e_1_2_3 &
38322  +c3*e_2_2_3&
38323  +6*e_3_2_3 &
38324  -6*e_2_2_2)
38325  e_3_3_3 = zeta*( c1*e_2_2_3 &
38326  +c2*e_3_2_3&
38327  +8*e_4_2_3 &
38328  -4*e_3_1_3)
38329  e_3_2_4 = zetb*( c1*e_2_2_3 &
38330  +c3*e_3_2_3&
38331  +8*e_4_2_3 &
38332  -6*e_3_2_2)
38333  e_4_3_3 = zeta*( c1*e_3_2_3 &
38334  +c2*e_4_2_3&
38335  +10*e_5_2_3 &
38336  -4*e_4_1_3)
38337  e_4_2_4 = zetb*( c1*e_3_2_3 &
38338  +c3*e_4_2_3&
38339  +10*e_5_2_3 &
38340  -6*e_4_2_2)
38341  e_5_3_3 = zeta*( c1*e_4_2_3 &
38342  +c2*e_5_2_3&
38343 
38344  )
38345  e_5_2_4 = zetb*( c1*e_4_2_3 &
38346  +c3*e_5_2_3&
38347 
38348  )
38349  e_6_3_3 = zeta*( c1*e_5_2_3 &
38350 
38351 
38352  )
38353  e_6_2_4 = zetb*( c1*e_5_2_3 &
38354 
38355 
38356  )
38357  e_0_3_4 = zetb*( &
38358  +c3*e_0_3_3&
38359  +2*e_1_3_3 &
38360  -6*e_0_3_2)
38361  e_1_3_4 = zetb*( c1*e_0_3_3 &
38362  +c3*e_1_3_3&
38363  +4*e_2_3_3 &
38364  -6*e_1_3_2)
38365  e_2_3_4 = zetb*( c1*e_1_3_3 &
38366  +c3*e_2_3_3&
38367  +6*e_3_3_3 &
38368  -6*e_2_3_2)
38369  e_3_3_4 = zetb*( c1*e_2_3_3 &
38370  +c3*e_3_3_3&
38371  +8*e_4_3_3 &
38372  -6*e_3_3_2)
38373  e_4_3_4 = zetb*( c1*e_3_3_3 &
38374  +c3*e_4_3_3&
38375  +10*e_5_3_3 &
38376  -6*e_4_3_2)
38377  e_5_3_4 = zetb*( c1*e_4_3_3 &
38378  +c3*e_5_3_3&
38379  +12*e_6_3_3 &
38380  -6*e_5_3_2)
38381  e_6_3_4 = zetb*( c1*e_5_3_3 &
38382  +c3*e_6_3_3&
38383 
38384  )
38385  e_7_3_4 = zetb*( c1*e_6_3_3 &
38386 
38387 
38388  )
38389  e_0_1_4 = zeta*( &
38390  +c2*e_0_0_4&
38391  +2*e_1_0_4 &
38392  )
38393  e_1_1_4 = zeta*( c1*e_0_0_4 &
38394  +c2*e_1_0_4&
38395  +4*e_2_0_4 &
38396  )
38397  e_2_1_4 = zeta*( c1*e_1_0_4 &
38398  +c2*e_2_0_4&
38399  +6*e_3_0_4 &
38400  )
38401  e_3_1_4 = zeta*( c1*e_2_0_4 &
38402  +c2*e_3_0_4&
38403  +8*e_4_0_4 &
38404  )
38405  e_4_1_4 = zeta*( c1*e_3_0_4 &
38406  +c2*e_4_0_4&
38407 
38408  )
38409  e_5_1_4 = zeta*( c1*e_4_0_4 &
38410 
38411 
38412  )
38413  e_0_2_4 = zeta*( &
38414  +c2*e_0_1_4&
38415  +2*e_1_1_4 &
38416  -2*e_0_0_4)
38417  e_1_2_4 = zeta*( c1*e_0_1_4 &
38418  +c2*e_1_1_4&
38419  +4*e_2_1_4 &
38420  -2*e_1_0_4)
38421  e_2_2_4 = zeta*( c1*e_1_1_4 &
38422  +c2*e_2_1_4&
38423  +6*e_3_1_4 &
38424  -2*e_2_0_4)
38425  e_3_2_4 = zeta*( c1*e_2_1_4 &
38426  +c2*e_3_1_4&
38427  +8*e_4_1_4 &
38428  -2*e_3_0_4)
38429  e_4_2_4 = zeta*( c1*e_3_1_4 &
38430  +c2*e_4_1_4&
38431  +10*e_5_1_4 &
38432  -2*e_4_0_4)
38433  e_5_2_4 = zeta*( c1*e_4_1_4 &
38434  +c2*e_5_1_4&
38435 
38436  )
38437  e_6_2_4 = zeta*( c1*e_5_1_4 &
38438 
38439 
38440  )
38441  e_0_3_4 = zeta*( &
38442  +c2*e_0_2_4&
38443  +2*e_1_2_4 &
38444  -4*e_0_1_4)
38445  e_1_3_4 = zeta*( c1*e_0_2_4 &
38446  +c2*e_1_2_4&
38447  +4*e_2_2_4 &
38448  -4*e_1_1_4)
38449  e_2_3_4 = zeta*( c1*e_1_2_4 &
38450  +c2*e_2_2_4&
38451  +6*e_3_2_4 &
38452  -4*e_2_1_4)
38453  e_3_3_4 = zeta*( c1*e_2_2_4 &
38454  +c2*e_3_2_4&
38455  +8*e_4_2_4 &
38456  -4*e_3_1_4)
38457  e_4_3_4 = zeta*( c1*e_3_2_4 &
38458  +c2*e_4_2_4&
38459  +10*e_5_2_4 &
38460  -4*e_4_1_4)
38461  e_5_3_4 = zeta*( c1*e_4_2_4 &
38462  +c2*e_5_2_4&
38463  +12*e_6_2_4 &
38464  -4*e_5_1_4)
38465  e_6_3_4 = zeta*( c1*e_5_2_4 &
38466  +c2*e_6_2_4&
38467 
38468  )
38469  e_7_3_4 = zeta*( c1*e_6_2_4 &
38470 
38471 
38472  )
38473 
38474  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
38475  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
38476  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
38477  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
38478  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
38479  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
38480  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
38481  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
38482  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
38483  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
38484  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
38485  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
38486  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
38487  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
38488  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
38489  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
38490  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
38491  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
38492  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
38493  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
38494  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
38495  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
38496  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
38497  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
38498  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
38499  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
38500  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
38501  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
38502  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
38503  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
38504  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
38505  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
38506  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
38507  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
38508  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
38509  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
38510  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
38511  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
38512  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
38513  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
38514  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
38515  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
38516  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
38517  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
38518  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
38519  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
38520  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
38521  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
38522  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
38523  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
38524  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
38525  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
38526  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
38527  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
38528  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
38529  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
38530  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
38531  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
38532  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
38533  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
38534  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
38535  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
38536  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
38537  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
38538  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
38539  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
38540  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
38541  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
38542  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
38543  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
38544  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
38545  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
38546  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
38547  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
38548  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
38549  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
38550  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
38551  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
38552  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
38553  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
38554  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
38555  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
38556  s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
38557  s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
38558  s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
38559  s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
38560  s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
38561  s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
38562  s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
38563  s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
38564  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
38565  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
38566  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
38567  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
38568  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
38569  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
38570  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
38571  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
38572  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
38573  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
38574  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
38575  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
38576  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
38577  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
38578  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
38579  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
38580  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
38581  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
38582  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
38583  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
38584  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
38585  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
38586  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
38587  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
38588  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
38589  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
38590  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
38591  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
38592  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
38593  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
38594  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
38595  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
38596  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
38597  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
38598  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
38599  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
38600  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
38601  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
38602  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
38603  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
38604  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
38605  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
38606  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
38607  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
38608  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
38609  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
38610  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
38611  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
38612  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
38613  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
38614  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
38615  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
38616  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
38617  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
38618  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
38619  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
38620  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
38621  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
38622  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
38623  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
38624  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
38625  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
38626  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
38627  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
38628  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
38629  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
38630  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
38631  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
38632  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
38633  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
38634  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
38635  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
38636  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
38637  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
38638  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
38639  s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
38640  s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
38641  s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
38642  s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
38643  s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
38644  s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
38645  s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
38646  s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
38647  s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
38648  s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
38649  s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
38650  s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
38651  s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
38652  s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
38653  s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
38654  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
38655  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
38656  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
38657  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
38658  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
38659  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
38660  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
38661  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
38662  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
38663  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
38664  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
38665  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
38666  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
38667  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
38668  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
38669  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
38670  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
38671  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
38672  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
38673  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
38674  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
38675  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
38676  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
38677  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
38678  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
38679  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
38680  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
38681  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
38682  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
38683  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
38684  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
38685  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
38686  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
38687  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
38688  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
38689  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
38690  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
38691  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
38692  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
38693  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
38694  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
38695  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
38696  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
38697  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
38698  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
38699  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
38700  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
38701  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
38702  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
38703  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
38704  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
38705  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
38706  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
38707  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
38708  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
38709  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
38710  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
38711  s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
38712  s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
38713  s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
38714  s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
38715  s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
38716  s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
38717  s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
38718  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
38719  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
38720  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
38721  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
38722  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
38723  s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
38724  s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
38725  s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
38726  s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
38727  s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
38728  s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
38729  s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
38730  s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
38731  s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
38732  s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
38733  s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
38734  s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
38735  s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
38736  s_r(3, 4, 2) = s_r(3, 4, 2) + e_0_3_4*(1)*s_r_t2_2 ! cost: 5 flops
38737  s_r(3, 4, 2) = s_r(3, 4, 2) + e_1_3_4*(1)*s_r_t2_3 ! cost: 5 flops
38738  s_r(3, 4, 2) = s_r(3, 4, 2) + e_2_3_4*(1)*s_r_t2_4 ! cost: 5 flops
38739  s_r(3, 4, 2) = s_r(3, 4, 2) + e_3_3_4*(1)*s_r_t2_5 ! cost: 5 flops
38740  s_r(3, 4, 2) = s_r(3, 4, 2) + e_4_3_4*(1)*s_r_t2_6 ! cost: 5 flops
38741  s_r(3, 4, 2) = s_r(3, 4, 2) + e_5_3_4*(1)*s_r_t2_7 ! cost: 5 flops
38742  s_r(3, 4, 2) = s_r(3, 4, 2) + e_6_3_4*(1)*s_r_t2_8 ! cost: 5 flops
38743  s_r(3, 4, 2) = s_r(3, 4, 2) + e_7_3_4*(1)*s_r_t2_9 ! cost: 5 flops
38744  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
38745  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
38746  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
38747  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
38748  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
38749  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
38750  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
38751  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
38752  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
38753  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
38754  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
38755  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
38756  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
38757  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
38758  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
38759  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
38760  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
38761  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
38762  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
38763  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
38764  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
38765  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
38766  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
38767  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
38768  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
38769  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
38770  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
38771  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
38772  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
38773  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
38774  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
38775  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
38776  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
38777  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
38778  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
38779  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
38780  s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
38781  s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
38782  s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
38783  s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
38784  s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
38785  s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
38786  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
38787  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
38788  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
38789  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
38790  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
38791  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
38792  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
38793  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
38794  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
38795  s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
38796  s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
38797  s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
38798  s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
38799  s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
38800  s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
38801  s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
38802  s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
38803  s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
38804  s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
38805  s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
38806  s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
38807  s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
38808  s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
38809  s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
38810  s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
38811  s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
38812  s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
38813  s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
38814  s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
38815  s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
38816  s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
38817  s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
38818  s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
38819  s_r(2, 4, 3) = s_r(2, 4, 3) + e_0_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
38820  s_r(2, 4, 3) = s_r(2, 4, 3) + e_1_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
38821  s_r(2, 4, 3) = s_r(2, 4, 3) + e_2_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
38822  s_r(2, 4, 3) = s_r(2, 4, 3) + e_3_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
38823  s_r(2, 4, 3) = s_r(2, 4, 3) + e_4_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
38824  s_r(2, 4, 3) = s_r(2, 4, 3) + e_5_2_4*(-1)*s_r_t2_8 ! cost: 5 flops
38825  s_r(2, 4, 3) = s_r(2, 4, 3) + e_6_2_4*(-1)*s_r_t2_9 ! cost: 5 flops
38826  s_r(3, 4, 3) = s_r(3, 4, 3) + e_0_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
38827  s_r(3, 4, 3) = s_r(3, 4, 3) + e_1_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
38828  s_r(3, 4, 3) = s_r(3, 4, 3) + e_2_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
38829  s_r(3, 4, 3) = s_r(3, 4, 3) + e_3_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
38830  s_r(3, 4, 3) = s_r(3, 4, 3) + e_4_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
38831  s_r(3, 4, 3) = s_r(3, 4, 3) + e_5_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
38832  s_r(3, 4, 3) = s_r(3, 4, 3) + e_6_3_4*(-1)*s_r_t2_9 ! cost: 5 flops
38833  s_r(3, 4, 3) = s_r(3, 4, 3) + e_7_3_4*(-1)*s_r_t2_10 ! cost: 5 flops
38834  r1 = r1 + dr
38835  END DO
38836 
38837  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
38838  END SUBROUTINE
38839  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_4_4_exp_0 ( &
38840  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
38841  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
38842  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
38843  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
38844  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
38845  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
38846  r_pow_t, r_tmp, rr1_delta, rr2_delta
38847 
38848  REAL(kind=dp) :: c1, c2, c3
38849  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
38850  & s_r_t_10, s_r_t_11
38851  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
38852  & s_r_t2_9, s_r_t2_10, s_r_t2_11
38853  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
38854  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
38855  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
38856  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
38857  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
38858  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
38859  & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10, h_to_c_0_11,&
38860  & h_to_c_1_11, h_to_c_2_11, h_to_c_3_11, h_to_c_4_11, h_to_c_5_11, h_to_c_6_11, h_to_c_7_11, h_to_c_8_11, h_to_c_9_11,&
38861  & h_to_c_10_11, h_to_c_11_11
38862  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
38863  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
38864  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
38865  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
38866  & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3,&
38867  & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
38868  & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4
38869 
38870 
38871  dr = lgth
38872  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
38873 
38874  s_r(:, :, :) = 0.0_dp
38875 
38876  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
38877 
38878  h_to_c_0_0 = sqrt(alpha/pi)
38879 
38880  h_to_c_0_1 = 0.0_dp
38881  h_to_c_1_1 = +2*alpha*h_to_c_0_0
38882  h_to_c_0_2 = -1*h_to_c_1_1
38883  h_to_c_1_2 = +2*alpha*h_to_c_0_1
38884  h_to_c_2_2 = +2*alpha*h_to_c_1_1
38885  h_to_c_0_3 = -1*h_to_c_1_2
38886  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
38887  h_to_c_2_3 = +2*alpha*h_to_c_1_2
38888  h_to_c_3_3 = +2*alpha*h_to_c_2_2
38889  h_to_c_0_4 = -1*h_to_c_1_3
38890  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
38891  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
38892  h_to_c_3_4 = +2*alpha*h_to_c_2_3
38893  h_to_c_4_4 = +2*alpha*h_to_c_3_3
38894  h_to_c_0_5 = -1*h_to_c_1_4
38895  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
38896  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
38897  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
38898  h_to_c_4_5 = +2*alpha*h_to_c_3_4
38899  h_to_c_5_5 = +2*alpha*h_to_c_4_4
38900  h_to_c_0_6 = -1*h_to_c_1_5
38901  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
38902  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
38903  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
38904  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
38905  h_to_c_5_6 = +2*alpha*h_to_c_4_5
38906  h_to_c_6_6 = +2*alpha*h_to_c_5_5
38907  h_to_c_0_7 = -1*h_to_c_1_6
38908  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
38909  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
38910  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
38911  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
38912  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
38913  h_to_c_6_7 = +2*alpha*h_to_c_5_6
38914  h_to_c_7_7 = +2*alpha*h_to_c_6_6
38915  h_to_c_0_8 = -1*h_to_c_1_7
38916  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
38917  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
38918  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
38919  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
38920  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
38921  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
38922  h_to_c_7_8 = +2*alpha*h_to_c_6_7
38923  h_to_c_8_8 = +2*alpha*h_to_c_7_7
38924  h_to_c_0_9 = -1*h_to_c_1_8
38925  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
38926  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
38927  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
38928  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
38929  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
38930  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
38931  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
38932  h_to_c_8_9 = +2*alpha*h_to_c_7_8
38933  h_to_c_9_9 = +2*alpha*h_to_c_8_8
38934  h_to_c_0_10 = -1*h_to_c_1_9
38935  h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
38936  h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
38937  h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
38938  h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
38939  h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
38940  h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
38941  h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
38942  h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
38943  h_to_c_9_10 = +2*alpha*h_to_c_8_9
38944  h_to_c_10_10 = +2*alpha*h_to_c_9_9
38945  h_to_c_0_11 = -1*h_to_c_1_10
38946  h_to_c_1_11 = -2*h_to_c_2_10 +2*alpha*h_to_c_0_10
38947  h_to_c_2_11 = -3*h_to_c_3_10 +2*alpha*h_to_c_1_10
38948  h_to_c_3_11 = -4*h_to_c_4_10 +2*alpha*h_to_c_2_10
38949  h_to_c_4_11 = -5*h_to_c_5_10 +2*alpha*h_to_c_3_10
38950  h_to_c_5_11 = -6*h_to_c_6_10 +2*alpha*h_to_c_4_10
38951  h_to_c_6_11 = -7*h_to_c_7_10 +2*alpha*h_to_c_5_10
38952  h_to_c_7_11 = -8*h_to_c_8_10 +2*alpha*h_to_c_6_10
38953  h_to_c_8_11 = -9*h_to_c_9_10 +2*alpha*h_to_c_7_10
38954  h_to_c_9_11 = -10*h_to_c_10_10 +2*alpha*h_to_c_8_10
38955  h_to_c_10_11 = +2*alpha*h_to_c_9_10
38956  h_to_c_11_11 = +2*alpha*h_to_c_10_10
38957 
38958 
38959  rr1_delta = (ra - rb)/dr
38960 
38961  rr1_l = ceiling(-r_c(1) + rr1_delta)
38962  rr1_r = floor(r_c(1) + rr1_delta)
38963 
38964  r1 = rr1_l*dr
38965 
38966  alpha_e = zeta*zetb/(zeta + zetb)
38967 
38968  DO rr1 = rr1_l, rr1_r
38969  s_r_t_0 = 0.0_dp
38970  s_r_t2_0 = 0.0_dp
38971  s_r_t_1 = 0.0_dp
38972  s_r_t2_1 = 0.0_dp
38973  s_r_t_2 = 0.0_dp
38974  s_r_t2_2 = 0.0_dp
38975  s_r_t_3 = 0.0_dp
38976  s_r_t2_3 = 0.0_dp
38977  s_r_t_4 = 0.0_dp
38978  s_r_t2_4 = 0.0_dp
38979  s_r_t_5 = 0.0_dp
38980  s_r_t2_5 = 0.0_dp
38981  s_r_t_6 = 0.0_dp
38982  s_r_t2_6 = 0.0_dp
38983  s_r_t_7 = 0.0_dp
38984  s_r_t2_7 = 0.0_dp
38985  s_r_t_8 = 0.0_dp
38986  s_r_t2_8 = 0.0_dp
38987  s_r_t_9 = 0.0_dp
38988  s_r_t2_9 = 0.0_dp
38989  s_r_t_10 = 0.0_dp
38990  s_r_t2_10 = 0.0_dp
38991  s_r_t_11 = 0.0_dp
38992  s_r_t2_11 = 0.0_dp
38993  r_tmp = r_offset + r1*zeta/(zeta + zetb)
38994  rr2_delta = -r_tmp/dr
38995 
38996  rr2_l = ceiling(-r_c(2) + rr2_delta)
38997  rr2_r = floor(r_c(2) + rr2_delta)
38998 
38999  r = r_tmp + (rr2_l)*dr
39000 
39001 
39002  DO rr2 = rr2_l, rr2_r
39003  r_pow_t = 1.0_dp
39004  exp2_rsq = exp(-alpha*r*r)
39005  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
39006  r_pow_t = r_pow_t*r
39007  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
39008  r_pow_t = r_pow_t*r
39009  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
39010  r_pow_t = r_pow_t*r
39011  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
39012  r_pow_t = r_pow_t*r
39013  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
39014  r_pow_t = r_pow_t*r
39015  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
39016  r_pow_t = r_pow_t*r
39017  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
39018  r_pow_t = r_pow_t*r
39019  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
39020  r_pow_t = r_pow_t*r
39021  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
39022  r_pow_t = r_pow_t*r
39023  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
39024  r_pow_t = r_pow_t*r
39025  s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
39026  r_pow_t = r_pow_t*r
39027  s_r_t_11 = s_r_t_11+r_pow_t*exp2_rsq
39028 
39029  r = r + dr
39030  END DO
39031 
39032  ! C --> H
39033  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
39034  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
39035  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
39036  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
39037  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
39038  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
39039  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
39040  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
39041  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
39042  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
39043  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
39044  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
39045  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
39046  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
39047  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
39048  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
39049  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
39050  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
39051  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
39052  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
39053  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
39054  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
39055  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
39056  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
39057  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
39058  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
39059  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
39060  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
39061  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
39062  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
39063  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
39064  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
39065  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
39066  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
39067  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
39068  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
39069  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
39070  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
39071  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
39072  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
39073  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
39074  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
39075  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
39076  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
39077  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
39078  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
39079  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
39080  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
39081  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
39082  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
39083  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
39084  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
39085  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
39086  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
39087  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
39088  s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
39089  s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
39090  s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
39091  s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
39092  s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
39093  s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
39094  s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
39095  s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
39096  s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
39097  s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
39098  s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
39099  s_r_t2_11 = s_r_t2_11+h_to_c_0_11*s_r_t_0
39100  s_r_t2_11 = s_r_t2_11+h_to_c_1_11*s_r_t_1
39101  s_r_t2_11 = s_r_t2_11+h_to_c_2_11*s_r_t_2
39102  s_r_t2_11 = s_r_t2_11+h_to_c_3_11*s_r_t_3
39103  s_r_t2_11 = s_r_t2_11+h_to_c_4_11*s_r_t_4
39104  s_r_t2_11 = s_r_t2_11+h_to_c_5_11*s_r_t_5
39105  s_r_t2_11 = s_r_t2_11+h_to_c_6_11*s_r_t_6
39106  s_r_t2_11 = s_r_t2_11+h_to_c_7_11*s_r_t_7
39107  s_r_t2_11 = s_r_t2_11+h_to_c_8_11*s_r_t_8
39108  s_r_t2_11 = s_r_t2_11+h_to_c_9_11*s_r_t_9
39109  s_r_t2_11 = s_r_t2_11+h_to_c_10_11*s_r_t_10
39110  s_r_t2_11 = s_r_t2_11+h_to_c_11_11*s_r_t_11
39111 
39112  ! H --> HH
39113  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
39114 
39115  c1 = 1.0_dp/(zeta + zetb)
39116  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
39117  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
39118 
39119  e_0_1_0 = zeta*( &
39120  +c2*e_0_0_0&
39121 
39122  )
39123  e_0_0_1 = zetb*( &
39124  +c3*e_0_0_0&
39125 
39126  )
39127  e_1_1_0 = zeta*( c1*e_0_0_0 &
39128 
39129 
39130  )
39131  e_1_0_1 = zetb*( c1*e_0_0_0 &
39132 
39133 
39134  )
39135  e_0_2_0 = zeta*( &
39136  +c2*e_0_1_0&
39137  +2*e_1_1_0 &
39138  -2*e_0_0_0)
39139  e_0_1_1 = zetb*( &
39140  +c3*e_0_1_0&
39141  +2*e_1_1_0 &
39142  )
39143  e_1_2_0 = zeta*( c1*e_0_1_0 &
39144  +c2*e_1_1_0&
39145 
39146  )
39147  e_1_1_1 = zetb*( c1*e_0_1_0 &
39148  +c3*e_1_1_0&
39149 
39150  )
39151  e_2_2_0 = zeta*( c1*e_1_1_0 &
39152 
39153 
39154  )
39155  e_2_1_1 = zetb*( c1*e_1_1_0 &
39156 
39157 
39158  )
39159  e_0_3_0 = zeta*( &
39160  +c2*e_0_2_0&
39161  +2*e_1_2_0 &
39162  -4*e_0_1_0)
39163  e_0_2_1 = zetb*( &
39164  +c3*e_0_2_0&
39165  +2*e_1_2_0 &
39166  )
39167  e_1_3_0 = zeta*( c1*e_0_2_0 &
39168  +c2*e_1_2_0&
39169  +4*e_2_2_0 &
39170  -4*e_1_1_0)
39171  e_1_2_1 = zetb*( c1*e_0_2_0 &
39172  +c3*e_1_2_0&
39173  +4*e_2_2_0 &
39174  )
39175  e_2_3_0 = zeta*( c1*e_1_2_0 &
39176  +c2*e_2_2_0&
39177 
39178  )
39179  e_2_2_1 = zetb*( c1*e_1_2_0 &
39180  +c3*e_2_2_0&
39181 
39182  )
39183  e_3_3_0 = zeta*( c1*e_2_2_0 &
39184 
39185 
39186  )
39187  e_3_2_1 = zetb*( c1*e_2_2_0 &
39188 
39189 
39190  )
39191  e_0_3_1 = zetb*( &
39192  +c3*e_0_3_0&
39193  +2*e_1_3_0 &
39194  )
39195  e_1_3_1 = zetb*( c1*e_0_3_0 &
39196  +c3*e_1_3_0&
39197  +4*e_2_3_0 &
39198  )
39199  e_2_3_1 = zetb*( c1*e_1_3_0 &
39200  +c3*e_2_3_0&
39201  +6*e_3_3_0 &
39202  )
39203  e_3_3_1 = zetb*( c1*e_2_3_0 &
39204  +c3*e_3_3_0&
39205 
39206  )
39207  e_4_3_1 = zetb*( c1*e_3_3_0 &
39208 
39209 
39210  )
39211  e_0_1_1 = zeta*( &
39212  +c2*e_0_0_1&
39213  +2*e_1_0_1 &
39214  )
39215  e_0_0_2 = zetb*( &
39216  +c3*e_0_0_1&
39217  +2*e_1_0_1 &
39218  -2*e_0_0_0)
39219  e_1_1_1 = zeta*( c1*e_0_0_1 &
39220  +c2*e_1_0_1&
39221 
39222  )
39223  e_1_0_2 = zetb*( c1*e_0_0_1 &
39224  +c3*e_1_0_1&
39225 
39226  )
39227  e_2_1_1 = zeta*( c1*e_1_0_1 &
39228 
39229 
39230  )
39231  e_2_0_2 = zetb*( c1*e_1_0_1 &
39232 
39233 
39234  )
39235  e_0_2_1 = zeta*( &
39236  +c2*e_0_1_1&
39237  +2*e_1_1_1 &
39238  -2*e_0_0_1)
39239  e_0_1_2 = zetb*( &
39240  +c3*e_0_1_1&
39241  +2*e_1_1_1 &
39242  -2*e_0_1_0)
39243  e_1_2_1 = zeta*( c1*e_0_1_1 &
39244  +c2*e_1_1_1&
39245  +4*e_2_1_1 &
39246  -2*e_1_0_1)
39247  e_1_1_2 = zetb*( c1*e_0_1_1 &
39248  +c3*e_1_1_1&
39249  +4*e_2_1_1 &
39250  -2*e_1_1_0)
39251  e_2_2_1 = zeta*( c1*e_1_1_1 &
39252  +c2*e_2_1_1&
39253 
39254  )
39255  e_2_1_2 = zetb*( c1*e_1_1_1 &
39256  +c3*e_2_1_1&
39257 
39258  )
39259  e_3_2_1 = zeta*( c1*e_2_1_1 &
39260 
39261 
39262  )
39263  e_3_1_2 = zetb*( c1*e_2_1_1 &
39264 
39265 
39266  )
39267  e_0_3_1 = zeta*( &
39268  +c2*e_0_2_1&
39269  +2*e_1_2_1 &
39270  -4*e_0_1_1)
39271  e_0_2_2 = zetb*( &
39272  +c3*e_0_2_1&
39273  +2*e_1_2_1 &
39274  -2*e_0_2_0)
39275  e_1_3_1 = zeta*( c1*e_0_2_1 &
39276  +c2*e_1_2_1&
39277  +4*e_2_2_1 &
39278  -4*e_1_1_1)
39279  e_1_2_2 = zetb*( c1*e_0_2_1 &
39280  +c3*e_1_2_1&
39281  +4*e_2_2_1 &
39282  -2*e_1_2_0)
39283  e_2_3_1 = zeta*( c1*e_1_2_1 &
39284  +c2*e_2_2_1&
39285  +6*e_3_2_1 &
39286  -4*e_2_1_1)
39287  e_2_2_2 = zetb*( c1*e_1_2_1 &
39288  +c3*e_2_2_1&
39289  +6*e_3_2_1 &
39290  -2*e_2_2_0)
39291  e_3_3_1 = zeta*( c1*e_2_2_1 &
39292  +c2*e_3_2_1&
39293 
39294  )
39295  e_3_2_2 = zetb*( c1*e_2_2_1 &
39296  +c3*e_3_2_1&
39297 
39298  )
39299  e_4_3_1 = zeta*( c1*e_3_2_1 &
39300 
39301 
39302  )
39303  e_4_2_2 = zetb*( c1*e_3_2_1 &
39304 
39305 
39306  )
39307  e_0_3_2 = zetb*( &
39308  +c3*e_0_3_1&
39309  +2*e_1_3_1 &
39310  -2*e_0_3_0)
39311  e_1_3_2 = zetb*( c1*e_0_3_1 &
39312  +c3*e_1_3_1&
39313  +4*e_2_3_1 &
39314  -2*e_1_3_0)
39315  e_2_3_2 = zetb*( c1*e_1_3_1 &
39316  +c3*e_2_3_1&
39317  +6*e_3_3_1 &
39318  -2*e_2_3_0)
39319  e_3_3_2 = zetb*( c1*e_2_3_1 &
39320  +c3*e_3_3_1&
39321  +8*e_4_3_1 &
39322  -2*e_3_3_0)
39323  e_4_3_2 = zetb*( c1*e_3_3_1 &
39324  +c3*e_4_3_1&
39325 
39326  )
39327  e_5_3_2 = zetb*( c1*e_4_3_1 &
39328 
39329 
39330  )
39331  e_0_1_2 = zeta*( &
39332  +c2*e_0_0_2&
39333  +2*e_1_0_2 &
39334  )
39335  e_0_0_3 = zetb*( &
39336  +c3*e_0_0_2&
39337  +2*e_1_0_2 &
39338  -4*e_0_0_1)
39339  e_1_1_2 = zeta*( c1*e_0_0_2 &
39340  +c2*e_1_0_2&
39341  +4*e_2_0_2 &
39342  )
39343  e_1_0_3 = zetb*( c1*e_0_0_2 &
39344  +c3*e_1_0_2&
39345  +4*e_2_0_2 &
39346  -4*e_1_0_1)
39347  e_2_1_2 = zeta*( c1*e_1_0_2 &
39348  +c2*e_2_0_2&
39349 
39350  )
39351  e_2_0_3 = zetb*( c1*e_1_0_2 &
39352  +c3*e_2_0_2&
39353 
39354  )
39355  e_3_1_2 = zeta*( c1*e_2_0_2 &
39356 
39357 
39358  )
39359  e_3_0_3 = zetb*( c1*e_2_0_2 &
39360 
39361 
39362  )
39363  e_0_2_2 = zeta*( &
39364  +c2*e_0_1_2&
39365  +2*e_1_1_2 &
39366  -2*e_0_0_2)
39367  e_0_1_3 = zetb*( &
39368  +c3*e_0_1_2&
39369  +2*e_1_1_2 &
39370  -4*e_0_1_1)
39371  e_1_2_2 = zeta*( c1*e_0_1_2 &
39372  +c2*e_1_1_2&
39373  +4*e_2_1_2 &
39374  -2*e_1_0_2)
39375  e_1_1_3 = zetb*( c1*e_0_1_2 &
39376  +c3*e_1_1_2&
39377  +4*e_2_1_2 &
39378  -4*e_1_1_1)
39379  e_2_2_2 = zeta*( c1*e_1_1_2 &
39380  +c2*e_2_1_2&
39381  +6*e_3_1_2 &
39382  -2*e_2_0_2)
39383  e_2_1_3 = zetb*( c1*e_1_1_2 &
39384  +c3*e_2_1_2&
39385  +6*e_3_1_2 &
39386  -4*e_2_1_1)
39387  e_3_2_2 = zeta*( c1*e_2_1_2 &
39388  +c2*e_3_1_2&
39389 
39390  )
39391  e_3_1_3 = zetb*( c1*e_2_1_2 &
39392  +c3*e_3_1_2&
39393 
39394  )
39395  e_4_2_2 = zeta*( c1*e_3_1_2 &
39396 
39397 
39398  )
39399  e_4_1_3 = zetb*( c1*e_3_1_2 &
39400 
39401 
39402  )
39403  e_0_3_2 = zeta*( &
39404  +c2*e_0_2_2&
39405  +2*e_1_2_2 &
39406  -4*e_0_1_2)
39407  e_0_2_3 = zetb*( &
39408  +c3*e_0_2_2&
39409  +2*e_1_2_2 &
39410  -4*e_0_2_1)
39411  e_1_3_2 = zeta*( c1*e_0_2_2 &
39412  +c2*e_1_2_2&
39413  +4*e_2_2_2 &
39414  -4*e_1_1_2)
39415  e_1_2_3 = zetb*( c1*e_0_2_2 &
39416  +c3*e_1_2_2&
39417  +4*e_2_2_2 &
39418  -4*e_1_2_1)
39419  e_2_3_2 = zeta*( c1*e_1_2_2 &
39420  +c2*e_2_2_2&
39421  +6*e_3_2_2 &
39422  -4*e_2_1_2)
39423  e_2_2_3 = zetb*( c1*e_1_2_2 &
39424  +c3*e_2_2_2&
39425  +6*e_3_2_2 &
39426  -4*e_2_2_1)
39427  e_3_3_2 = zeta*( c1*e_2_2_2 &
39428  +c2*e_3_2_2&
39429  +8*e_4_2_2 &
39430  -4*e_3_1_2)
39431  e_3_2_3 = zetb*( c1*e_2_2_2 &
39432  +c3*e_3_2_2&
39433  +8*e_4_2_2 &
39434  -4*e_3_2_1)
39435  e_4_3_2 = zeta*( c1*e_3_2_2 &
39436  +c2*e_4_2_2&
39437 
39438  )
39439  e_4_2_3 = zetb*( c1*e_3_2_2 &
39440  +c3*e_4_2_2&
39441 
39442  )
39443  e_5_3_2 = zeta*( c1*e_4_2_2 &
39444 
39445 
39446  )
39447  e_5_2_3 = zetb*( c1*e_4_2_2 &
39448 
39449 
39450  )
39451  e_0_3_3 = zetb*( &
39452  +c3*e_0_3_2&
39453  +2*e_1_3_2 &
39454  -4*e_0_3_1)
39455  e_1_3_3 = zetb*( c1*e_0_3_2 &
39456  +c3*e_1_3_2&
39457  +4*e_2_3_2 &
39458  -4*e_1_3_1)
39459  e_2_3_3 = zetb*( c1*e_1_3_2 &
39460  +c3*e_2_3_2&
39461  +6*e_3_3_2 &
39462  -4*e_2_3_1)
39463  e_3_3_3 = zetb*( c1*e_2_3_2 &
39464  +c3*e_3_3_2&
39465  +8*e_4_3_2 &
39466  -4*e_3_3_1)
39467  e_4_3_3 = zetb*( c1*e_3_3_2 &
39468  +c3*e_4_3_2&
39469  +10*e_5_3_2 &
39470  -4*e_4_3_1)
39471  e_5_3_3 = zetb*( c1*e_4_3_2 &
39472  +c3*e_5_3_2&
39473 
39474  )
39475  e_6_3_3 = zetb*( c1*e_5_3_2 &
39476 
39477 
39478  )
39479  e_0_1_3 = zeta*( &
39480  +c2*e_0_0_3&
39481  +2*e_1_0_3 &
39482  )
39483  e_0_0_4 = zetb*( &
39484  +c3*e_0_0_3&
39485  +2*e_1_0_3 &
39486  -6*e_0_0_2)
39487  e_1_1_3 = zeta*( c1*e_0_0_3 &
39488  +c2*e_1_0_3&
39489  +4*e_2_0_3 &
39490  )
39491  e_1_0_4 = zetb*( c1*e_0_0_3 &
39492  +c3*e_1_0_3&
39493  +4*e_2_0_3 &
39494  -6*e_1_0_2)
39495  e_2_1_3 = zeta*( c1*e_1_0_3 &
39496  +c2*e_2_0_3&
39497  +6*e_3_0_3 &
39498  )
39499  e_2_0_4 = zetb*( c1*e_1_0_3 &
39500  +c3*e_2_0_3&
39501  +6*e_3_0_3 &
39502  -6*e_2_0_2)
39503  e_3_1_3 = zeta*( c1*e_2_0_3 &
39504  +c2*e_3_0_3&
39505 
39506  )
39507  e_3_0_4 = zetb*( c1*e_2_0_3 &
39508  +c3*e_3_0_3&
39509 
39510  )
39511  e_4_1_3 = zeta*( c1*e_3_0_3 &
39512 
39513 
39514  )
39515  e_4_0_4 = zetb*( c1*e_3_0_3 &
39516 
39517 
39518  )
39519  e_0_2_3 = zeta*( &
39520  +c2*e_0_1_3&
39521  +2*e_1_1_3 &
39522  -2*e_0_0_3)
39523  e_0_1_4 = zetb*( &
39524  +c3*e_0_1_3&
39525  +2*e_1_1_3 &
39526  -6*e_0_1_2)
39527  e_1_2_3 = zeta*( c1*e_0_1_3 &
39528  +c2*e_1_1_3&
39529  +4*e_2_1_3 &
39530  -2*e_1_0_3)
39531  e_1_1_4 = zetb*( c1*e_0_1_3 &
39532  +c3*e_1_1_3&
39533  +4*e_2_1_3 &
39534  -6*e_1_1_2)
39535  e_2_2_3 = zeta*( c1*e_1_1_3 &
39536  +c2*e_2_1_3&
39537  +6*e_3_1_3 &
39538  -2*e_2_0_3)
39539  e_2_1_4 = zetb*( c1*e_1_1_3 &
39540  +c3*e_2_1_3&
39541  +6*e_3_1_3 &
39542  -6*e_2_1_2)
39543  e_3_2_3 = zeta*( c1*e_2_1_3 &
39544  +c2*e_3_1_3&
39545  +8*e_4_1_3 &
39546  -2*e_3_0_3)
39547  e_3_1_4 = zetb*( c1*e_2_1_3 &
39548  +c3*e_3_1_3&
39549  +8*e_4_1_3 &
39550  -6*e_3_1_2)
39551  e_4_2_3 = zeta*( c1*e_3_1_3 &
39552  +c2*e_4_1_3&
39553 
39554  )
39555  e_4_1_4 = zetb*( c1*e_3_1_3 &
39556  +c3*e_4_1_3&
39557 
39558  )
39559  e_5_2_3 = zeta*( c1*e_4_1_3 &
39560 
39561 
39562  )
39563  e_5_1_4 = zetb*( c1*e_4_1_3 &
39564 
39565 
39566  )
39567  e_0_3_3 = zeta*( &
39568  +c2*e_0_2_3&
39569  +2*e_1_2_3 &
39570  -4*e_0_1_3)
39571  e_0_2_4 = zetb*( &
39572  +c3*e_0_2_3&
39573  +2*e_1_2_3 &
39574  -6*e_0_2_2)
39575  e_1_3_3 = zeta*( c1*e_0_2_3 &
39576  +c2*e_1_2_3&
39577  +4*e_2_2_3 &
39578  -4*e_1_1_3)
39579  e_1_2_4 = zetb*( c1*e_0_2_3 &
39580  +c3*e_1_2_3&
39581  +4*e_2_2_3 &
39582  -6*e_1_2_2)
39583  e_2_3_3 = zeta*( c1*e_1_2_3 &
39584  +c2*e_2_2_3&
39585  +6*e_3_2_3 &
39586  -4*e_2_1_3)
39587  e_2_2_4 = zetb*( c1*e_1_2_3 &
39588  +c3*e_2_2_3&
39589  +6*e_3_2_3 &
39590  -6*e_2_2_2)
39591  e_3_3_3 = zeta*( c1*e_2_2_3 &
39592  +c2*e_3_2_3&
39593  +8*e_4_2_3 &
39594  -4*e_3_1_3)
39595  e_3_2_4 = zetb*( c1*e_2_2_3 &
39596  +c3*e_3_2_3&
39597  +8*e_4_2_3 &
39598  -6*e_3_2_2)
39599  e_4_3_3 = zeta*( c1*e_3_2_3 &
39600  +c2*e_4_2_3&
39601  +10*e_5_2_3 &
39602  -4*e_4_1_3)
39603  e_4_2_4 = zetb*( c1*e_3_2_3 &
39604  +c3*e_4_2_3&
39605  +10*e_5_2_3 &
39606  -6*e_4_2_2)
39607  e_5_3_3 = zeta*( c1*e_4_2_3 &
39608  +c2*e_5_2_3&
39609 
39610  )
39611  e_5_2_4 = zetb*( c1*e_4_2_3 &
39612  +c3*e_5_2_3&
39613 
39614  )
39615  e_6_3_3 = zeta*( c1*e_5_2_3 &
39616 
39617 
39618  )
39619  e_6_2_4 = zetb*( c1*e_5_2_3 &
39620 
39621 
39622  )
39623  e_0_3_4 = zetb*( &
39624  +c3*e_0_3_3&
39625  +2*e_1_3_3 &
39626  -6*e_0_3_2)
39627  e_1_3_4 = zetb*( c1*e_0_3_3 &
39628  +c3*e_1_3_3&
39629  +4*e_2_3_3 &
39630  -6*e_1_3_2)
39631  e_2_3_4 = zetb*( c1*e_1_3_3 &
39632  +c3*e_2_3_3&
39633  +6*e_3_3_3 &
39634  -6*e_2_3_2)
39635  e_3_3_4 = zetb*( c1*e_2_3_3 &
39636  +c3*e_3_3_3&
39637  +8*e_4_3_3 &
39638  -6*e_3_3_2)
39639  e_4_3_4 = zetb*( c1*e_3_3_3 &
39640  +c3*e_4_3_3&
39641  +10*e_5_3_3 &
39642  -6*e_4_3_2)
39643  e_5_3_4 = zetb*( c1*e_4_3_3 &
39644  +c3*e_5_3_3&
39645  +12*e_6_3_3 &
39646  -6*e_5_3_2)
39647  e_6_3_4 = zetb*( c1*e_5_3_3 &
39648  +c3*e_6_3_3&
39649 
39650  )
39651  e_7_3_4 = zetb*( c1*e_6_3_3 &
39652 
39653 
39654  )
39655  e_0_1_4 = zeta*( &
39656  +c2*e_0_0_4&
39657  +2*e_1_0_4 &
39658  )
39659  e_1_1_4 = zeta*( c1*e_0_0_4 &
39660  +c2*e_1_0_4&
39661  +4*e_2_0_4 &
39662  )
39663  e_2_1_4 = zeta*( c1*e_1_0_4 &
39664  +c2*e_2_0_4&
39665  +6*e_3_0_4 &
39666  )
39667  e_3_1_4 = zeta*( c1*e_2_0_4 &
39668  +c2*e_3_0_4&
39669  +8*e_4_0_4 &
39670  )
39671  e_4_1_4 = zeta*( c1*e_3_0_4 &
39672  +c2*e_4_0_4&
39673 
39674  )
39675  e_5_1_4 = zeta*( c1*e_4_0_4 &
39676 
39677 
39678  )
39679  e_0_2_4 = zeta*( &
39680  +c2*e_0_1_4&
39681  +2*e_1_1_4 &
39682  -2*e_0_0_4)
39683  e_1_2_4 = zeta*( c1*e_0_1_4 &
39684  +c2*e_1_1_4&
39685  +4*e_2_1_4 &
39686  -2*e_1_0_4)
39687  e_2_2_4 = zeta*( c1*e_1_1_4 &
39688  +c2*e_2_1_4&
39689  +6*e_3_1_4 &
39690  -2*e_2_0_4)
39691  e_3_2_4 = zeta*( c1*e_2_1_4 &
39692  +c2*e_3_1_4&
39693  +8*e_4_1_4 &
39694  -2*e_3_0_4)
39695  e_4_2_4 = zeta*( c1*e_3_1_4 &
39696  +c2*e_4_1_4&
39697  +10*e_5_1_4 &
39698  -2*e_4_0_4)
39699  e_5_2_4 = zeta*( c1*e_4_1_4 &
39700  +c2*e_5_1_4&
39701 
39702  )
39703  e_6_2_4 = zeta*( c1*e_5_1_4 &
39704 
39705 
39706  )
39707  e_0_3_4 = zeta*( &
39708  +c2*e_0_2_4&
39709  +2*e_1_2_4 &
39710  -4*e_0_1_4)
39711  e_1_3_4 = zeta*( c1*e_0_2_4 &
39712  +c2*e_1_2_4&
39713  +4*e_2_2_4 &
39714  -4*e_1_1_4)
39715  e_2_3_4 = zeta*( c1*e_1_2_4 &
39716  +c2*e_2_2_4&
39717  +6*e_3_2_4 &
39718  -4*e_2_1_4)
39719  e_3_3_4 = zeta*( c1*e_2_2_4 &
39720  +c2*e_3_2_4&
39721  +8*e_4_2_4 &
39722  -4*e_3_1_4)
39723  e_4_3_4 = zeta*( c1*e_3_2_4 &
39724  +c2*e_4_2_4&
39725  +10*e_5_2_4 &
39726  -4*e_4_1_4)
39727  e_5_3_4 = zeta*( c1*e_4_2_4 &
39728  +c2*e_5_2_4&
39729  +12*e_6_2_4 &
39730  -4*e_5_1_4)
39731  e_6_3_4 = zeta*( c1*e_5_2_4 &
39732  +c2*e_6_2_4&
39733 
39734  )
39735  e_7_3_4 = zeta*( c1*e_6_2_4 &
39736 
39737 
39738  )
39739 
39740  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
39741  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
39742  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
39743  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
39744  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
39745  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
39746  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
39747  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
39748  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
39749  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
39750  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
39751  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
39752  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
39753  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
39754  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
39755  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
39756  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
39757  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
39758  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
39759  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
39760  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
39761  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
39762  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
39763  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
39764  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
39765  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
39766  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
39767  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
39768  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
39769  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
39770  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
39771  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
39772  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
39773  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
39774  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
39775  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
39776  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
39777  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
39778  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
39779  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
39780  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
39781  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
39782  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
39783  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
39784  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
39785  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
39786  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
39787  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
39788  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
39789  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
39790  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
39791  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
39792  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
39793  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
39794  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
39795  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
39796  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
39797  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
39798  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
39799  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
39800  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
39801  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
39802  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
39803  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
39804  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
39805  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
39806  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
39807  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
39808  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
39809  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
39810  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
39811  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
39812  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
39813  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
39814  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
39815  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
39816  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
39817  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
39818  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
39819  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
39820  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
39821  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
39822  s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
39823  s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
39824  s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
39825  s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
39826  s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
39827  s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
39828  s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
39829  s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
39830  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
39831  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
39832  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
39833  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
39834  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
39835  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
39836  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
39837  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
39838  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
39839  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
39840  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
39841  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
39842  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
39843  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
39844  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
39845  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
39846  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
39847  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
39848  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
39849  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
39850  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
39851  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
39852  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
39853  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
39854  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
39855  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
39856  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
39857  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
39858  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
39859  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
39860  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
39861  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
39862  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
39863  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
39864  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
39865  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
39866  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
39867  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
39868  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
39869  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
39870  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
39871  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
39872  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
39873  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
39874  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
39875  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
39876  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
39877  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
39878  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
39879  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
39880  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
39881  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
39882  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
39883  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
39884  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
39885  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
39886  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
39887  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
39888  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
39889  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
39890  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
39891  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
39892  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
39893  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
39894  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
39895  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
39896  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
39897  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
39898  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
39899  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
39900  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
39901  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
39902  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
39903  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
39904  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
39905  s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
39906  s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
39907  s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
39908  s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
39909  s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
39910  s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
39911  s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
39912  s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
39913  s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
39914  s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
39915  s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
39916  s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
39917  s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
39918  s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
39919  s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
39920  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
39921  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
39922  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
39923  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
39924  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
39925  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
39926  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
39927  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
39928  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
39929  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
39930  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
39931  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
39932  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
39933  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
39934  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
39935  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
39936  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
39937  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
39938  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
39939  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
39940  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
39941  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
39942  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
39943  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
39944  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
39945  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
39946  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
39947  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
39948  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
39949  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
39950  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
39951  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
39952  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
39953  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
39954  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
39955  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
39956  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
39957  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
39958  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
39959  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
39960  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
39961  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
39962  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
39963  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
39964  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
39965  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
39966  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
39967  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
39968  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
39969  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
39970  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
39971  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
39972  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
39973  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
39974  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
39975  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
39976  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
39977  s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
39978  s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
39979  s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
39980  s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
39981  s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
39982  s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
39983  s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
39984  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
39985  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
39986  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
39987  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
39988  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
39989  s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
39990  s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
39991  s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
39992  s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
39993  s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
39994  s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
39995  s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
39996  s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
39997  s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
39998  s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
39999  s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
40000  s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
40001  s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
40002  s_r(3, 4, 2) = s_r(3, 4, 2) + e_0_3_4*(1)*s_r_t2_2 ! cost: 5 flops
40003  s_r(3, 4, 2) = s_r(3, 4, 2) + e_1_3_4*(1)*s_r_t2_3 ! cost: 5 flops
40004  s_r(3, 4, 2) = s_r(3, 4, 2) + e_2_3_4*(1)*s_r_t2_4 ! cost: 5 flops
40005  s_r(3, 4, 2) = s_r(3, 4, 2) + e_3_3_4*(1)*s_r_t2_5 ! cost: 5 flops
40006  s_r(3, 4, 2) = s_r(3, 4, 2) + e_4_3_4*(1)*s_r_t2_6 ! cost: 5 flops
40007  s_r(3, 4, 2) = s_r(3, 4, 2) + e_5_3_4*(1)*s_r_t2_7 ! cost: 5 flops
40008  s_r(3, 4, 2) = s_r(3, 4, 2) + e_6_3_4*(1)*s_r_t2_8 ! cost: 5 flops
40009  s_r(3, 4, 2) = s_r(3, 4, 2) + e_7_3_4*(1)*s_r_t2_9 ! cost: 5 flops
40010  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
40011  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
40012  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
40013  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
40014  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
40015  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
40016  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
40017  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
40018  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
40019  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
40020  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
40021  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
40022  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
40023  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
40024  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
40025  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
40026  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
40027  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
40028  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
40029  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
40030  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
40031  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
40032  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
40033  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
40034  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
40035  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
40036  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
40037  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
40038  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
40039  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
40040  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
40041  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
40042  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
40043  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
40044  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
40045  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
40046  s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
40047  s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
40048  s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
40049  s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
40050  s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
40051  s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
40052  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
40053  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
40054  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
40055  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
40056  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
40057  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
40058  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
40059  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
40060  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
40061  s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
40062  s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
40063  s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
40064  s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
40065  s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
40066  s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
40067  s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
40068  s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
40069  s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
40070  s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
40071  s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
40072  s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
40073  s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
40074  s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
40075  s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
40076  s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
40077  s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
40078  s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
40079  s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
40080  s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
40081  s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
40082  s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
40083  s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
40084  s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
40085  s_r(2, 4, 3) = s_r(2, 4, 3) + e_0_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
40086  s_r(2, 4, 3) = s_r(2, 4, 3) + e_1_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
40087  s_r(2, 4, 3) = s_r(2, 4, 3) + e_2_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
40088  s_r(2, 4, 3) = s_r(2, 4, 3) + e_3_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
40089  s_r(2, 4, 3) = s_r(2, 4, 3) + e_4_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
40090  s_r(2, 4, 3) = s_r(2, 4, 3) + e_5_2_4*(-1)*s_r_t2_8 ! cost: 5 flops
40091  s_r(2, 4, 3) = s_r(2, 4, 3) + e_6_2_4*(-1)*s_r_t2_9 ! cost: 5 flops
40092  s_r(3, 4, 3) = s_r(3, 4, 3) + e_0_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
40093  s_r(3, 4, 3) = s_r(3, 4, 3) + e_1_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
40094  s_r(3, 4, 3) = s_r(3, 4, 3) + e_2_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
40095  s_r(3, 4, 3) = s_r(3, 4, 3) + e_3_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
40096  s_r(3, 4, 3) = s_r(3, 4, 3) + e_4_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
40097  s_r(3, 4, 3) = s_r(3, 4, 3) + e_5_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
40098  s_r(3, 4, 3) = s_r(3, 4, 3) + e_6_3_4*(-1)*s_r_t2_9 ! cost: 5 flops
40099  s_r(3, 4, 3) = s_r(3, 4, 3) + e_7_3_4*(-1)*s_r_t2_10 ! cost: 5 flops
40100  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
40101  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
40102  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
40103  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
40104  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
40105  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
40106  s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
40107  s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
40108  s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
40109  s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
40110  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
40111  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
40112  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
40113  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
40114  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
40115  s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
40116  s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
40117  s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
40118  s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
40119  s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
40120  s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
40121  s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
40122  s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
40123  s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
40124  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
40125  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
40126  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
40127  s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
40128  s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
40129  s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
40130  s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
40131  s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
40132  s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
40133  s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
40134  s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
40135  s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
40136  s_r(3, 2, 4) = s_r(3, 2, 4) + e_0_3_2*(1)*s_r_t2_4 ! cost: 5 flops
40137  s_r(3, 2, 4) = s_r(3, 2, 4) + e_1_3_2*(1)*s_r_t2_5 ! cost: 5 flops
40138  s_r(3, 2, 4) = s_r(3, 2, 4) + e_2_3_2*(1)*s_r_t2_6 ! cost: 5 flops
40139  s_r(3, 2, 4) = s_r(3, 2, 4) + e_3_3_2*(1)*s_r_t2_7 ! cost: 5 flops
40140  s_r(3, 2, 4) = s_r(3, 2, 4) + e_4_3_2*(1)*s_r_t2_8 ! cost: 5 flops
40141  s_r(3, 2, 4) = s_r(3, 2, 4) + e_5_3_2*(1)*s_r_t2_9 ! cost: 5 flops
40142  s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
40143  s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
40144  s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
40145  s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
40146  s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
40147  s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
40148  s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
40149  s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
40150  s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
40151  s_r(2, 3, 4) = s_r(2, 3, 4) + e_0_2_3*(1)*s_r_t2_4 ! cost: 5 flops
40152  s_r(2, 3, 4) = s_r(2, 3, 4) + e_1_2_3*(1)*s_r_t2_5 ! cost: 5 flops
40153  s_r(2, 3, 4) = s_r(2, 3, 4) + e_2_2_3*(1)*s_r_t2_6 ! cost: 5 flops
40154  s_r(2, 3, 4) = s_r(2, 3, 4) + e_3_2_3*(1)*s_r_t2_7 ! cost: 5 flops
40155  s_r(2, 3, 4) = s_r(2, 3, 4) + e_4_2_3*(1)*s_r_t2_8 ! cost: 5 flops
40156  s_r(2, 3, 4) = s_r(2, 3, 4) + e_5_2_3*(1)*s_r_t2_9 ! cost: 5 flops
40157  s_r(3, 3, 4) = s_r(3, 3, 4) + e_0_3_3*(1)*s_r_t2_4 ! cost: 5 flops
40158  s_r(3, 3, 4) = s_r(3, 3, 4) + e_1_3_3*(1)*s_r_t2_5 ! cost: 5 flops
40159  s_r(3, 3, 4) = s_r(3, 3, 4) + e_2_3_3*(1)*s_r_t2_6 ! cost: 5 flops
40160  s_r(3, 3, 4) = s_r(3, 3, 4) + e_3_3_3*(1)*s_r_t2_7 ! cost: 5 flops
40161  s_r(3, 3, 4) = s_r(3, 3, 4) + e_4_3_3*(1)*s_r_t2_8 ! cost: 5 flops
40162  s_r(3, 3, 4) = s_r(3, 3, 4) + e_5_3_3*(1)*s_r_t2_9 ! cost: 5 flops
40163  s_r(3, 3, 4) = s_r(3, 3, 4) + e_6_3_3*(1)*s_r_t2_10 ! cost: 5 flops
40164  s_r(0, 4, 4) = s_r(0, 4, 4) + e_0_0_4*(1)*s_r_t2_4 ! cost: 5 flops
40165  s_r(0, 4, 4) = s_r(0, 4, 4) + e_1_0_4*(1)*s_r_t2_5 ! cost: 5 flops
40166  s_r(0, 4, 4) = s_r(0, 4, 4) + e_2_0_4*(1)*s_r_t2_6 ! cost: 5 flops
40167  s_r(0, 4, 4) = s_r(0, 4, 4) + e_3_0_4*(1)*s_r_t2_7 ! cost: 5 flops
40168  s_r(0, 4, 4) = s_r(0, 4, 4) + e_4_0_4*(1)*s_r_t2_8 ! cost: 5 flops
40169  s_r(1, 4, 4) = s_r(1, 4, 4) + e_0_1_4*(1)*s_r_t2_4 ! cost: 5 flops
40170  s_r(1, 4, 4) = s_r(1, 4, 4) + e_1_1_4*(1)*s_r_t2_5 ! cost: 5 flops
40171  s_r(1, 4, 4) = s_r(1, 4, 4) + e_2_1_4*(1)*s_r_t2_6 ! cost: 5 flops
40172  s_r(1, 4, 4) = s_r(1, 4, 4) + e_3_1_4*(1)*s_r_t2_7 ! cost: 5 flops
40173  s_r(1, 4, 4) = s_r(1, 4, 4) + e_4_1_4*(1)*s_r_t2_8 ! cost: 5 flops
40174  s_r(1, 4, 4) = s_r(1, 4, 4) + e_5_1_4*(1)*s_r_t2_9 ! cost: 5 flops
40175  s_r(2, 4, 4) = s_r(2, 4, 4) + e_0_2_4*(1)*s_r_t2_4 ! cost: 5 flops
40176  s_r(2, 4, 4) = s_r(2, 4, 4) + e_1_2_4*(1)*s_r_t2_5 ! cost: 5 flops
40177  s_r(2, 4, 4) = s_r(2, 4, 4) + e_2_2_4*(1)*s_r_t2_6 ! cost: 5 flops
40178  s_r(2, 4, 4) = s_r(2, 4, 4) + e_3_2_4*(1)*s_r_t2_7 ! cost: 5 flops
40179  s_r(2, 4, 4) = s_r(2, 4, 4) + e_4_2_4*(1)*s_r_t2_8 ! cost: 5 flops
40180  s_r(2, 4, 4) = s_r(2, 4, 4) + e_5_2_4*(1)*s_r_t2_9 ! cost: 5 flops
40181  s_r(2, 4, 4) = s_r(2, 4, 4) + e_6_2_4*(1)*s_r_t2_10 ! cost: 5 flops
40182  s_r(3, 4, 4) = s_r(3, 4, 4) + e_0_3_4*(1)*s_r_t2_4 ! cost: 5 flops
40183  s_r(3, 4, 4) = s_r(3, 4, 4) + e_1_3_4*(1)*s_r_t2_5 ! cost: 5 flops
40184  s_r(3, 4, 4) = s_r(3, 4, 4) + e_2_3_4*(1)*s_r_t2_6 ! cost: 5 flops
40185  s_r(3, 4, 4) = s_r(3, 4, 4) + e_3_3_4*(1)*s_r_t2_7 ! cost: 5 flops
40186  s_r(3, 4, 4) = s_r(3, 4, 4) + e_4_3_4*(1)*s_r_t2_8 ! cost: 5 flops
40187  s_r(3, 4, 4) = s_r(3, 4, 4) + e_5_3_4*(1)*s_r_t2_9 ! cost: 5 flops
40188  s_r(3, 4, 4) = s_r(3, 4, 4) + e_6_3_4*(1)*s_r_t2_10 ! cost: 5 flops
40189  s_r(3, 4, 4) = s_r(3, 4, 4) + e_7_3_4*(1)*s_r_t2_11 ! cost: 5 flops
40190  r1 = r1 + dr
40191  END DO
40192 
40193  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
40194  END SUBROUTINE
40195  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_0_0_exp_0 ( &
40196  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
40197  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
40198  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
40199  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
40200  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
40201  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
40202  r_pow_t, r_tmp, rr1_delta, rr2_delta
40203 
40204  REAL(kind=dp) :: c1, c2, c3
40205  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
40206  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
40207  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
40208  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
40209  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
40210  & e_2_4_0, e_3_4_0, e_4_4_0
40211 
40212 
40213  dr = lgth
40214  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
40215 
40216  s_r(:, :, :) = 0.0_dp
40217 
40218  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
40219 
40220  h_to_c_0_0 = sqrt(alpha/pi)
40221 
40222  h_to_c_0_1 = 0.0_dp
40223  h_to_c_1_1 = +2*alpha*h_to_c_0_0
40224  h_to_c_0_2 = -1*h_to_c_1_1
40225  h_to_c_1_2 = +2*alpha*h_to_c_0_1
40226  h_to_c_2_2 = +2*alpha*h_to_c_1_1
40227  h_to_c_0_3 = -1*h_to_c_1_2
40228  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
40229  h_to_c_2_3 = +2*alpha*h_to_c_1_2
40230  h_to_c_3_3 = +2*alpha*h_to_c_2_2
40231  h_to_c_0_4 = -1*h_to_c_1_3
40232  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
40233  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
40234  h_to_c_3_4 = +2*alpha*h_to_c_2_3
40235  h_to_c_4_4 = +2*alpha*h_to_c_3_3
40236 
40237 
40238  rr1_delta = (ra - rb)/dr
40239 
40240  rr1_l = ceiling(-r_c(1) + rr1_delta)
40241  rr1_r = floor(r_c(1) + rr1_delta)
40242 
40243  r1 = rr1_l*dr
40244 
40245  alpha_e = zeta*zetb/(zeta + zetb)
40246 
40247  DO rr1 = rr1_l, rr1_r
40248  s_r_t_0 = 0.0_dp
40249  s_r_t2_0 = 0.0_dp
40250  s_r_t_1 = 0.0_dp
40251  s_r_t2_1 = 0.0_dp
40252  s_r_t_2 = 0.0_dp
40253  s_r_t2_2 = 0.0_dp
40254  s_r_t_3 = 0.0_dp
40255  s_r_t2_3 = 0.0_dp
40256  s_r_t_4 = 0.0_dp
40257  s_r_t2_4 = 0.0_dp
40258  r_tmp = r_offset + r1*zeta/(zeta + zetb)
40259  rr2_delta = -r_tmp/dr
40260 
40261  rr2_l = ceiling(-r_c(2) + rr2_delta)
40262  rr2_r = floor(r_c(2) + rr2_delta)
40263 
40264  r = r_tmp + (rr2_l)*dr
40265 
40266 
40267  DO rr2 = rr2_l, rr2_r
40268  r_pow_t = 1.0_dp
40269  exp2_rsq = exp(-alpha*r*r)
40270  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
40271  r_pow_t = r_pow_t*r
40272  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
40273  r_pow_t = r_pow_t*r
40274  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
40275  r_pow_t = r_pow_t*r
40276  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
40277  r_pow_t = r_pow_t*r
40278  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
40279 
40280  r = r + dr
40281  END DO
40282 
40283  ! C --> H
40284  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
40285  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
40286  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
40287  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
40288  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
40289  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
40290  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
40291  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
40292  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
40293  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
40294  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
40295  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
40296  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
40297  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
40298  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
40299 
40300  ! H --> HH
40301  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
40302 
40303  c1 = 1.0_dp/(zeta + zetb)
40304  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
40305  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
40306 
40307  e_0_1_0 = zeta*( &
40308  +c2*e_0_0_0&
40309 
40310  )
40311  e_1_1_0 = zeta*( c1*e_0_0_0 &
40312 
40313 
40314  )
40315  e_0_2_0 = zeta*( &
40316  +c2*e_0_1_0&
40317  +2*e_1_1_0 &
40318  -2*e_0_0_0)
40319  e_1_2_0 = zeta*( c1*e_0_1_0 &
40320  +c2*e_1_1_0&
40321 
40322  )
40323  e_2_2_0 = zeta*( c1*e_1_1_0 &
40324 
40325 
40326  )
40327  e_0_3_0 = zeta*( &
40328  +c2*e_0_2_0&
40329  +2*e_1_2_0 &
40330  -4*e_0_1_0)
40331  e_1_3_0 = zeta*( c1*e_0_2_0 &
40332  +c2*e_1_2_0&
40333  +4*e_2_2_0 &
40334  -4*e_1_1_0)
40335  e_2_3_0 = zeta*( c1*e_1_2_0 &
40336  +c2*e_2_2_0&
40337 
40338  )
40339  e_3_3_0 = zeta*( c1*e_2_2_0 &
40340 
40341 
40342  )
40343  e_0_4_0 = zeta*( &
40344  +c2*e_0_3_0&
40345  +2*e_1_3_0 &
40346  -6*e_0_2_0)
40347  e_1_4_0 = zeta*( c1*e_0_3_0 &
40348  +c2*e_1_3_0&
40349  +4*e_2_3_0 &
40350  -6*e_1_2_0)
40351  e_2_4_0 = zeta*( c1*e_1_3_0 &
40352  +c2*e_2_3_0&
40353  +6*e_3_3_0 &
40354  -6*e_2_2_0)
40355  e_3_4_0 = zeta*( c1*e_2_3_0 &
40356  +c2*e_3_3_0&
40357 
40358  )
40359  e_4_4_0 = zeta*( c1*e_3_3_0 &
40360 
40361 
40362  )
40363 
40364  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
40365  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
40366  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
40367  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
40368  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
40369  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
40370  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
40371  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
40372  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
40373  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
40374  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
40375  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
40376  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
40377  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
40378  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
40379  r1 = r1 + dr
40380  END DO
40381 
40382  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
40383  END SUBROUTINE
40384  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_0_1_exp_0 ( &
40385  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
40386  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
40387  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
40388  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
40389  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
40390  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
40391  r_pow_t, r_tmp, rr1_delta, rr2_delta
40392 
40393  REAL(kind=dp) :: c1, c2, c3
40394  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
40395  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
40396  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
40397  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
40398  & h_to_c_4_5, h_to_c_5_5
40399  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
40400  & e_2_4_0, e_3_4_0, e_4_4_0
40401 
40402 
40403  dr = lgth
40404  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
40405 
40406  s_r(:, :, :) = 0.0_dp
40407 
40408  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
40409 
40410  h_to_c_0_0 = sqrt(alpha/pi)
40411 
40412  h_to_c_0_1 = 0.0_dp
40413  h_to_c_1_1 = +2*alpha*h_to_c_0_0
40414  h_to_c_0_2 = -1*h_to_c_1_1
40415  h_to_c_1_2 = +2*alpha*h_to_c_0_1
40416  h_to_c_2_2 = +2*alpha*h_to_c_1_1
40417  h_to_c_0_3 = -1*h_to_c_1_2
40418  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
40419  h_to_c_2_3 = +2*alpha*h_to_c_1_2
40420  h_to_c_3_3 = +2*alpha*h_to_c_2_2
40421  h_to_c_0_4 = -1*h_to_c_1_3
40422  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
40423  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
40424  h_to_c_3_4 = +2*alpha*h_to_c_2_3
40425  h_to_c_4_4 = +2*alpha*h_to_c_3_3
40426  h_to_c_0_5 = -1*h_to_c_1_4
40427  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
40428  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
40429  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
40430  h_to_c_4_5 = +2*alpha*h_to_c_3_4
40431  h_to_c_5_5 = +2*alpha*h_to_c_4_4
40432 
40433 
40434  rr1_delta = (ra - rb)/dr
40435 
40436  rr1_l = ceiling(-r_c(1) + rr1_delta)
40437  rr1_r = floor(r_c(1) + rr1_delta)
40438 
40439  r1 = rr1_l*dr
40440 
40441  alpha_e = zeta*zetb/(zeta + zetb)
40442 
40443  DO rr1 = rr1_l, rr1_r
40444  s_r_t_0 = 0.0_dp
40445  s_r_t2_0 = 0.0_dp
40446  s_r_t_1 = 0.0_dp
40447  s_r_t2_1 = 0.0_dp
40448  s_r_t_2 = 0.0_dp
40449  s_r_t2_2 = 0.0_dp
40450  s_r_t_3 = 0.0_dp
40451  s_r_t2_3 = 0.0_dp
40452  s_r_t_4 = 0.0_dp
40453  s_r_t2_4 = 0.0_dp
40454  s_r_t_5 = 0.0_dp
40455  s_r_t2_5 = 0.0_dp
40456  r_tmp = r_offset + r1*zeta/(zeta + zetb)
40457  rr2_delta = -r_tmp/dr
40458 
40459  rr2_l = ceiling(-r_c(2) + rr2_delta)
40460  rr2_r = floor(r_c(2) + rr2_delta)
40461 
40462  r = r_tmp + (rr2_l)*dr
40463 
40464 
40465  DO rr2 = rr2_l, rr2_r
40466  r_pow_t = 1.0_dp
40467  exp2_rsq = exp(-alpha*r*r)
40468  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
40469  r_pow_t = r_pow_t*r
40470  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
40471  r_pow_t = r_pow_t*r
40472  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
40473  r_pow_t = r_pow_t*r
40474  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
40475  r_pow_t = r_pow_t*r
40476  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
40477  r_pow_t = r_pow_t*r
40478  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
40479 
40480  r = r + dr
40481  END DO
40482 
40483  ! C --> H
40484  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
40485  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
40486  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
40487  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
40488  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
40489  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
40490  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
40491  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
40492  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
40493  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
40494  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
40495  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
40496  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
40497  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
40498  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
40499  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
40500  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
40501  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
40502  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
40503  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
40504  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
40505 
40506  ! H --> HH
40507  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
40508 
40509  c1 = 1.0_dp/(zeta + zetb)
40510  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
40511  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
40512 
40513  e_0_1_0 = zeta*( &
40514  +c2*e_0_0_0&
40515 
40516  )
40517  e_1_1_0 = zeta*( c1*e_0_0_0 &
40518 
40519 
40520  )
40521  e_0_2_0 = zeta*( &
40522  +c2*e_0_1_0&
40523  +2*e_1_1_0 &
40524  -2*e_0_0_0)
40525  e_1_2_0 = zeta*( c1*e_0_1_0 &
40526  +c2*e_1_1_0&
40527 
40528  )
40529  e_2_2_0 = zeta*( c1*e_1_1_0 &
40530 
40531 
40532  )
40533  e_0_3_0 = zeta*( &
40534  +c2*e_0_2_0&
40535  +2*e_1_2_0 &
40536  -4*e_0_1_0)
40537  e_1_3_0 = zeta*( c1*e_0_2_0 &
40538  +c2*e_1_2_0&
40539  +4*e_2_2_0 &
40540  -4*e_1_1_0)
40541  e_2_3_0 = zeta*( c1*e_1_2_0 &
40542  +c2*e_2_2_0&
40543 
40544  )
40545  e_3_3_0 = zeta*( c1*e_2_2_0 &
40546 
40547 
40548  )
40549  e_0_4_0 = zeta*( &
40550  +c2*e_0_3_0&
40551  +2*e_1_3_0 &
40552  -6*e_0_2_0)
40553  e_1_4_0 = zeta*( c1*e_0_3_0 &
40554  +c2*e_1_3_0&
40555  +4*e_2_3_0 &
40556  -6*e_1_2_0)
40557  e_2_4_0 = zeta*( c1*e_1_3_0 &
40558  +c2*e_2_3_0&
40559  +6*e_3_3_0 &
40560  -6*e_2_2_0)
40561  e_3_4_0 = zeta*( c1*e_2_3_0 &
40562  +c2*e_3_3_0&
40563 
40564  )
40565  e_4_4_0 = zeta*( c1*e_3_3_0 &
40566 
40567 
40568  )
40569 
40570  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
40571  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
40572  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
40573  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
40574  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
40575  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
40576  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
40577  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
40578  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
40579  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
40580  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
40581  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
40582  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
40583  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
40584  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
40585  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
40586  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
40587  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
40588  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
40589  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
40590  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
40591  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
40592  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
40593  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
40594  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
40595  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
40596  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
40597  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
40598  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
40599  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
40600  r1 = r1 + dr
40601  END DO
40602 
40603  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
40604  END SUBROUTINE
40605  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_0_2_exp_0 ( &
40606  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
40607  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
40608  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
40609  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
40610  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
40611  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
40612  r_pow_t, r_tmp, rr1_delta, rr2_delta
40613 
40614  REAL(kind=dp) :: c1, c2, c3
40615  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
40616  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
40617  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
40618  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
40619  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
40620  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
40621  & e_2_4_0, e_3_4_0, e_4_4_0
40622 
40623 
40624  dr = lgth
40625  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
40626 
40627  s_r(:, :, :) = 0.0_dp
40628 
40629  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
40630 
40631  h_to_c_0_0 = sqrt(alpha/pi)
40632 
40633  h_to_c_0_1 = 0.0_dp
40634  h_to_c_1_1 = +2*alpha*h_to_c_0_0
40635  h_to_c_0_2 = -1*h_to_c_1_1
40636  h_to_c_1_2 = +2*alpha*h_to_c_0_1
40637  h_to_c_2_2 = +2*alpha*h_to_c_1_1
40638  h_to_c_0_3 = -1*h_to_c_1_2
40639  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
40640  h_to_c_2_3 = +2*alpha*h_to_c_1_2
40641  h_to_c_3_3 = +2*alpha*h_to_c_2_2
40642  h_to_c_0_4 = -1*h_to_c_1_3
40643  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
40644  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
40645  h_to_c_3_4 = +2*alpha*h_to_c_2_3
40646  h_to_c_4_4 = +2*alpha*h_to_c_3_3
40647  h_to_c_0_5 = -1*h_to_c_1_4
40648  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
40649  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
40650  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
40651  h_to_c_4_5 = +2*alpha*h_to_c_3_4
40652  h_to_c_5_5 = +2*alpha*h_to_c_4_4
40653  h_to_c_0_6 = -1*h_to_c_1_5
40654  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
40655  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
40656  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
40657  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
40658  h_to_c_5_6 = +2*alpha*h_to_c_4_5
40659  h_to_c_6_6 = +2*alpha*h_to_c_5_5
40660 
40661 
40662  rr1_delta = (ra - rb)/dr
40663 
40664  rr1_l = ceiling(-r_c(1) + rr1_delta)
40665  rr1_r = floor(r_c(1) + rr1_delta)
40666 
40667  r1 = rr1_l*dr
40668 
40669  alpha_e = zeta*zetb/(zeta + zetb)
40670 
40671  DO rr1 = rr1_l, rr1_r
40672  s_r_t_0 = 0.0_dp
40673  s_r_t2_0 = 0.0_dp
40674  s_r_t_1 = 0.0_dp
40675  s_r_t2_1 = 0.0_dp
40676  s_r_t_2 = 0.0_dp
40677  s_r_t2_2 = 0.0_dp
40678  s_r_t_3 = 0.0_dp
40679  s_r_t2_3 = 0.0_dp
40680  s_r_t_4 = 0.0_dp
40681  s_r_t2_4 = 0.0_dp
40682  s_r_t_5 = 0.0_dp
40683  s_r_t2_5 = 0.0_dp
40684  s_r_t_6 = 0.0_dp
40685  s_r_t2_6 = 0.0_dp
40686  r_tmp = r_offset + r1*zeta/(zeta + zetb)
40687  rr2_delta = -r_tmp/dr
40688 
40689  rr2_l = ceiling(-r_c(2) + rr2_delta)
40690  rr2_r = floor(r_c(2) + rr2_delta)
40691 
40692  r = r_tmp + (rr2_l)*dr
40693 
40694 
40695  DO rr2 = rr2_l, rr2_r
40696  r_pow_t = 1.0_dp
40697  exp2_rsq = exp(-alpha*r*r)
40698  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
40699  r_pow_t = r_pow_t*r
40700  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
40701  r_pow_t = r_pow_t*r
40702  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
40703  r_pow_t = r_pow_t*r
40704  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
40705  r_pow_t = r_pow_t*r
40706  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
40707  r_pow_t = r_pow_t*r
40708  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
40709  r_pow_t = r_pow_t*r
40710  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
40711 
40712  r = r + dr
40713  END DO
40714 
40715  ! C --> H
40716  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
40717  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
40718  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
40719  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
40720  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
40721  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
40722  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
40723  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
40724  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
40725  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
40726  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
40727  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
40728  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
40729  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
40730  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
40731  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
40732  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
40733  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
40734  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
40735  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
40736  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
40737  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
40738  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
40739  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
40740  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
40741  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
40742  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
40743  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
40744 
40745  ! H --> HH
40746  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
40747 
40748  c1 = 1.0_dp/(zeta + zetb)
40749  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
40750  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
40751 
40752  e_0_1_0 = zeta*( &
40753  +c2*e_0_0_0&
40754 
40755  )
40756  e_1_1_0 = zeta*( c1*e_0_0_0 &
40757 
40758 
40759  )
40760  e_0_2_0 = zeta*( &
40761  +c2*e_0_1_0&
40762  +2*e_1_1_0 &
40763  -2*e_0_0_0)
40764  e_1_2_0 = zeta*( c1*e_0_1_0 &
40765  +c2*e_1_1_0&
40766 
40767  )
40768  e_2_2_0 = zeta*( c1*e_1_1_0 &
40769 
40770 
40771  )
40772  e_0_3_0 = zeta*( &
40773  +c2*e_0_2_0&
40774  +2*e_1_2_0 &
40775  -4*e_0_1_0)
40776  e_1_3_0 = zeta*( c1*e_0_2_0 &
40777  +c2*e_1_2_0&
40778  +4*e_2_2_0 &
40779  -4*e_1_1_0)
40780  e_2_3_0 = zeta*( c1*e_1_2_0 &
40781  +c2*e_2_2_0&
40782 
40783  )
40784  e_3_3_0 = zeta*( c1*e_2_2_0 &
40785 
40786 
40787  )
40788  e_0_4_0 = zeta*( &
40789  +c2*e_0_3_0&
40790  +2*e_1_3_0 &
40791  -6*e_0_2_0)
40792  e_1_4_0 = zeta*( c1*e_0_3_0 &
40793  +c2*e_1_3_0&
40794  +4*e_2_3_0 &
40795  -6*e_1_2_0)
40796  e_2_4_0 = zeta*( c1*e_1_3_0 &
40797  +c2*e_2_3_0&
40798  +6*e_3_3_0 &
40799  -6*e_2_2_0)
40800  e_3_4_0 = zeta*( c1*e_2_3_0 &
40801  +c2*e_3_3_0&
40802 
40803  )
40804  e_4_4_0 = zeta*( c1*e_3_3_0 &
40805 
40806 
40807  )
40808 
40809  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
40810  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
40811  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
40812  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
40813  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
40814  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
40815  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
40816  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
40817  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
40818  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
40819  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
40820  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
40821  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
40822  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
40823  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
40824  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
40825  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
40826  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
40827  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
40828  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
40829  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
40830  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
40831  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
40832  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
40833  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
40834  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
40835  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
40836  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
40837  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
40838  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
40839  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
40840  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
40841  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
40842  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
40843  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
40844  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
40845  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
40846  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
40847  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
40848  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
40849  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
40850  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
40851  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
40852  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
40853  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
40854  r1 = r1 + dr
40855  END DO
40856 
40857  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
40858  END SUBROUTINE
40859  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_0_3_exp_0 ( &
40860  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
40861  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
40862  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
40863  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
40864  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
40865  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
40866  r_pow_t, r_tmp, rr1_delta, rr2_delta
40867 
40868  REAL(kind=dp) :: c1, c2, c3
40869  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
40870  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
40871  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
40872  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
40873  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
40874  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
40875  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
40876  & e_2_4_0, e_3_4_0, e_4_4_0
40877 
40878 
40879  dr = lgth
40880  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
40881 
40882  s_r(:, :, :) = 0.0_dp
40883 
40884  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
40885 
40886  h_to_c_0_0 = sqrt(alpha/pi)
40887 
40888  h_to_c_0_1 = 0.0_dp
40889  h_to_c_1_1 = +2*alpha*h_to_c_0_0
40890  h_to_c_0_2 = -1*h_to_c_1_1
40891  h_to_c_1_2 = +2*alpha*h_to_c_0_1
40892  h_to_c_2_2 = +2*alpha*h_to_c_1_1
40893  h_to_c_0_3 = -1*h_to_c_1_2
40894  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
40895  h_to_c_2_3 = +2*alpha*h_to_c_1_2
40896  h_to_c_3_3 = +2*alpha*h_to_c_2_2
40897  h_to_c_0_4 = -1*h_to_c_1_3
40898  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
40899  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
40900  h_to_c_3_4 = +2*alpha*h_to_c_2_3
40901  h_to_c_4_4 = +2*alpha*h_to_c_3_3
40902  h_to_c_0_5 = -1*h_to_c_1_4
40903  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
40904  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
40905  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
40906  h_to_c_4_5 = +2*alpha*h_to_c_3_4
40907  h_to_c_5_5 = +2*alpha*h_to_c_4_4
40908  h_to_c_0_6 = -1*h_to_c_1_5
40909  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
40910  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
40911  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
40912  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
40913  h_to_c_5_6 = +2*alpha*h_to_c_4_5
40914  h_to_c_6_6 = +2*alpha*h_to_c_5_5
40915  h_to_c_0_7 = -1*h_to_c_1_6
40916  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
40917  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
40918  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
40919  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
40920  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
40921  h_to_c_6_7 = +2*alpha*h_to_c_5_6
40922  h_to_c_7_7 = +2*alpha*h_to_c_6_6
40923 
40924 
40925  rr1_delta = (ra - rb)/dr
40926 
40927  rr1_l = ceiling(-r_c(1) + rr1_delta)
40928  rr1_r = floor(r_c(1) + rr1_delta)
40929 
40930  r1 = rr1_l*dr
40931 
40932  alpha_e = zeta*zetb/(zeta + zetb)
40933 
40934  DO rr1 = rr1_l, rr1_r
40935  s_r_t_0 = 0.0_dp
40936  s_r_t2_0 = 0.0_dp
40937  s_r_t_1 = 0.0_dp
40938  s_r_t2_1 = 0.0_dp
40939  s_r_t_2 = 0.0_dp
40940  s_r_t2_2 = 0.0_dp
40941  s_r_t_3 = 0.0_dp
40942  s_r_t2_3 = 0.0_dp
40943  s_r_t_4 = 0.0_dp
40944  s_r_t2_4 = 0.0_dp
40945  s_r_t_5 = 0.0_dp
40946  s_r_t2_5 = 0.0_dp
40947  s_r_t_6 = 0.0_dp
40948  s_r_t2_6 = 0.0_dp
40949  s_r_t_7 = 0.0_dp
40950  s_r_t2_7 = 0.0_dp
40951  r_tmp = r_offset + r1*zeta/(zeta + zetb)
40952  rr2_delta = -r_tmp/dr
40953 
40954  rr2_l = ceiling(-r_c(2) + rr2_delta)
40955  rr2_r = floor(r_c(2) + rr2_delta)
40956 
40957  r = r_tmp + (rr2_l)*dr
40958 
40959 
40960  DO rr2 = rr2_l, rr2_r
40961  r_pow_t = 1.0_dp
40962  exp2_rsq = exp(-alpha*r*r)
40963  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
40964  r_pow_t = r_pow_t*r
40965  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
40966  r_pow_t = r_pow_t*r
40967  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
40968  r_pow_t = r_pow_t*r
40969  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
40970  r_pow_t = r_pow_t*r
40971  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
40972  r_pow_t = r_pow_t*r
40973  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
40974  r_pow_t = r_pow_t*r
40975  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
40976  r_pow_t = r_pow_t*r
40977  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
40978 
40979  r = r + dr
40980  END DO
40981 
40982  ! C --> H
40983  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
40984  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
40985  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
40986  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
40987  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
40988  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
40989  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
40990  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
40991  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
40992  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
40993  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
40994  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
40995  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
40996  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
40997  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
40998  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
40999  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
41000  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
41001  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
41002  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
41003  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
41004  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
41005  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
41006  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
41007  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
41008  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
41009  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
41010  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
41011  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
41012  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
41013  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
41014  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
41015  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
41016  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
41017  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
41018  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
41019 
41020  ! H --> HH
41021  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
41022 
41023  c1 = 1.0_dp/(zeta + zetb)
41024  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
41025  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
41026 
41027  e_0_1_0 = zeta*( &
41028  +c2*e_0_0_0&
41029 
41030  )
41031  e_1_1_0 = zeta*( c1*e_0_0_0 &
41032 
41033 
41034  )
41035  e_0_2_0 = zeta*( &
41036  +c2*e_0_1_0&
41037  +2*e_1_1_0 &
41038  -2*e_0_0_0)
41039  e_1_2_0 = zeta*( c1*e_0_1_0 &
41040  +c2*e_1_1_0&
41041 
41042  )
41043  e_2_2_0 = zeta*( c1*e_1_1_0 &
41044 
41045 
41046  )
41047  e_0_3_0 = zeta*( &
41048  +c2*e_0_2_0&
41049  +2*e_1_2_0 &
41050  -4*e_0_1_0)
41051  e_1_3_0 = zeta*( c1*e_0_2_0 &
41052  +c2*e_1_2_0&
41053  +4*e_2_2_0 &
41054  -4*e_1_1_0)
41055  e_2_3_0 = zeta*( c1*e_1_2_0 &
41056  +c2*e_2_2_0&
41057 
41058  )
41059  e_3_3_0 = zeta*( c1*e_2_2_0 &
41060 
41061 
41062  )
41063  e_0_4_0 = zeta*( &
41064  +c2*e_0_3_0&
41065  +2*e_1_3_0 &
41066  -6*e_0_2_0)
41067  e_1_4_0 = zeta*( c1*e_0_3_0 &
41068  +c2*e_1_3_0&
41069  +4*e_2_3_0 &
41070  -6*e_1_2_0)
41071  e_2_4_0 = zeta*( c1*e_1_3_0 &
41072  +c2*e_2_3_0&
41073  +6*e_3_3_0 &
41074  -6*e_2_2_0)
41075  e_3_4_0 = zeta*( c1*e_2_3_0 &
41076  +c2*e_3_3_0&
41077 
41078  )
41079  e_4_4_0 = zeta*( c1*e_3_3_0 &
41080 
41081 
41082  )
41083 
41084  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
41085  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
41086  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
41087  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
41088  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
41089  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
41090  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
41091  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
41092  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
41093  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
41094  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
41095  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
41096  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
41097  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
41098  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
41099  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
41100  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
41101  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
41102  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
41103  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
41104  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
41105  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
41106  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
41107  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
41108  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
41109  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
41110  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
41111  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
41112  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
41113  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
41114  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
41115  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
41116  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
41117  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
41118  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
41119  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
41120  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
41121  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
41122  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
41123  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
41124  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
41125  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
41126  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
41127  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
41128  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
41129  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
41130  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
41131  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
41132  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
41133  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
41134  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
41135  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
41136  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
41137  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
41138  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
41139  s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
41140  s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
41141  s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
41142  s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
41143  s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
41144  r1 = r1 + dr
41145  END DO
41146 
41147  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
41148  END SUBROUTINE
41149  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_0_4_exp_0 ( &
41150  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
41151  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
41152  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
41153  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
41154  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
41155  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
41156  r_pow_t, r_tmp, rr1_delta, rr2_delta
41157 
41158  REAL(kind=dp) :: c1, c2, c3
41159  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
41160  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
41161  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
41162  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
41163  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
41164  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
41165  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
41166  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
41167  & e_2_4_0, e_3_4_0, e_4_4_0
41168 
41169 
41170  dr = lgth
41171  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
41172 
41173  s_r(:, :, :) = 0.0_dp
41174 
41175  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
41176 
41177  h_to_c_0_0 = sqrt(alpha/pi)
41178 
41179  h_to_c_0_1 = 0.0_dp
41180  h_to_c_1_1 = +2*alpha*h_to_c_0_0
41181  h_to_c_0_2 = -1*h_to_c_1_1
41182  h_to_c_1_2 = +2*alpha*h_to_c_0_1
41183  h_to_c_2_2 = +2*alpha*h_to_c_1_1
41184  h_to_c_0_3 = -1*h_to_c_1_2
41185  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
41186  h_to_c_2_3 = +2*alpha*h_to_c_1_2
41187  h_to_c_3_3 = +2*alpha*h_to_c_2_2
41188  h_to_c_0_4 = -1*h_to_c_1_3
41189  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
41190  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
41191  h_to_c_3_4 = +2*alpha*h_to_c_2_3
41192  h_to_c_4_4 = +2*alpha*h_to_c_3_3
41193  h_to_c_0_5 = -1*h_to_c_1_4
41194  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
41195  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
41196  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
41197  h_to_c_4_5 = +2*alpha*h_to_c_3_4
41198  h_to_c_5_5 = +2*alpha*h_to_c_4_4
41199  h_to_c_0_6 = -1*h_to_c_1_5
41200  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
41201  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
41202  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
41203  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
41204  h_to_c_5_6 = +2*alpha*h_to_c_4_5
41205  h_to_c_6_6 = +2*alpha*h_to_c_5_5
41206  h_to_c_0_7 = -1*h_to_c_1_6
41207  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
41208  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
41209  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
41210  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
41211  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
41212  h_to_c_6_7 = +2*alpha*h_to_c_5_6
41213  h_to_c_7_7 = +2*alpha*h_to_c_6_6
41214  h_to_c_0_8 = -1*h_to_c_1_7
41215  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
41216  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
41217  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
41218  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
41219  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
41220  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
41221  h_to_c_7_8 = +2*alpha*h_to_c_6_7
41222  h_to_c_8_8 = +2*alpha*h_to_c_7_7
41223 
41224 
41225  rr1_delta = (ra - rb)/dr
41226 
41227  rr1_l = ceiling(-r_c(1) + rr1_delta)
41228  rr1_r = floor(r_c(1) + rr1_delta)
41229 
41230  r1 = rr1_l*dr
41231 
41232  alpha_e = zeta*zetb/(zeta + zetb)
41233 
41234  DO rr1 = rr1_l, rr1_r
41235  s_r_t_0 = 0.0_dp
41236  s_r_t2_0 = 0.0_dp
41237  s_r_t_1 = 0.0_dp
41238  s_r_t2_1 = 0.0_dp
41239  s_r_t_2 = 0.0_dp
41240  s_r_t2_2 = 0.0_dp
41241  s_r_t_3 = 0.0_dp
41242  s_r_t2_3 = 0.0_dp
41243  s_r_t_4 = 0.0_dp
41244  s_r_t2_4 = 0.0_dp
41245  s_r_t_5 = 0.0_dp
41246  s_r_t2_5 = 0.0_dp
41247  s_r_t_6 = 0.0_dp
41248  s_r_t2_6 = 0.0_dp
41249  s_r_t_7 = 0.0_dp
41250  s_r_t2_7 = 0.0_dp
41251  s_r_t_8 = 0.0_dp
41252  s_r_t2_8 = 0.0_dp
41253  r_tmp = r_offset + r1*zeta/(zeta + zetb)
41254  rr2_delta = -r_tmp/dr
41255 
41256  rr2_l = ceiling(-r_c(2) + rr2_delta)
41257  rr2_r = floor(r_c(2) + rr2_delta)
41258 
41259  r = r_tmp + (rr2_l)*dr
41260 
41261 
41262  DO rr2 = rr2_l, rr2_r
41263  r_pow_t = 1.0_dp
41264  exp2_rsq = exp(-alpha*r*r)
41265  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
41266  r_pow_t = r_pow_t*r
41267  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
41268  r_pow_t = r_pow_t*r
41269  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
41270  r_pow_t = r_pow_t*r
41271  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
41272  r_pow_t = r_pow_t*r
41273  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
41274  r_pow_t = r_pow_t*r
41275  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
41276  r_pow_t = r_pow_t*r
41277  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
41278  r_pow_t = r_pow_t*r
41279  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
41280  r_pow_t = r_pow_t*r
41281  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
41282 
41283  r = r + dr
41284  END DO
41285 
41286  ! C --> H
41287  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
41288  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
41289  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
41290  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
41291  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
41292  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
41293  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
41294  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
41295  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
41296  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
41297  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
41298  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
41299  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
41300  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
41301  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
41302  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
41303  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
41304  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
41305  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
41306  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
41307  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
41308  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
41309  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
41310  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
41311  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
41312  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
41313  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
41314  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
41315  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
41316  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
41317  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
41318  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
41319  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
41320  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
41321  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
41322  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
41323  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
41324  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
41325  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
41326  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
41327  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
41328  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
41329  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
41330  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
41331  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
41332 
41333  ! H --> HH
41334  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
41335 
41336  c1 = 1.0_dp/(zeta + zetb)
41337  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
41338  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
41339 
41340  e_0_1_0 = zeta*( &
41341  +c2*e_0_0_0&
41342 
41343  )
41344  e_1_1_0 = zeta*( c1*e_0_0_0 &
41345 
41346 
41347  )
41348  e_0_2_0 = zeta*( &
41349  +c2*e_0_1_0&
41350  +2*e_1_1_0 &
41351  -2*e_0_0_0)
41352  e_1_2_0 = zeta*( c1*e_0_1_0 &
41353  +c2*e_1_1_0&
41354 
41355  )
41356  e_2_2_0 = zeta*( c1*e_1_1_0 &
41357 
41358 
41359  )
41360  e_0_3_0 = zeta*( &
41361  +c2*e_0_2_0&
41362  +2*e_1_2_0 &
41363  -4*e_0_1_0)
41364  e_1_3_0 = zeta*( c1*e_0_2_0 &
41365  +c2*e_1_2_0&
41366  +4*e_2_2_0 &
41367  -4*e_1_1_0)
41368  e_2_3_0 = zeta*( c1*e_1_2_0 &
41369  +c2*e_2_2_0&
41370 
41371  )
41372  e_3_3_0 = zeta*( c1*e_2_2_0 &
41373 
41374 
41375  )
41376  e_0_4_0 = zeta*( &
41377  +c2*e_0_3_0&
41378  +2*e_1_3_0 &
41379  -6*e_0_2_0)
41380  e_1_4_0 = zeta*( c1*e_0_3_0 &
41381  +c2*e_1_3_0&
41382  +4*e_2_3_0 &
41383  -6*e_1_2_0)
41384  e_2_4_0 = zeta*( c1*e_1_3_0 &
41385  +c2*e_2_3_0&
41386  +6*e_3_3_0 &
41387  -6*e_2_2_0)
41388  e_3_4_0 = zeta*( c1*e_2_3_0 &
41389  +c2*e_3_3_0&
41390 
41391  )
41392  e_4_4_0 = zeta*( c1*e_3_3_0 &
41393 
41394 
41395  )
41396 
41397  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
41398  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
41399  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
41400  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
41401  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
41402  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
41403  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
41404  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
41405  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
41406  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
41407  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
41408  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
41409  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
41410  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
41411  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
41412  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
41413  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
41414  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
41415  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
41416  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
41417  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
41418  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
41419  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
41420  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
41421  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
41422  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
41423  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
41424  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
41425  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
41426  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
41427  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
41428  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
41429  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
41430  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
41431  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
41432  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
41433  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
41434  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
41435  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
41436  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
41437  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
41438  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
41439  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
41440  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
41441  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
41442  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
41443  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
41444  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
41445  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
41446  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
41447  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
41448  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
41449  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
41450  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
41451  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
41452  s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
41453  s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
41454  s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
41455  s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
41456  s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
41457  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
41458  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
41459  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
41460  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
41461  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
41462  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
41463  s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
41464  s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
41465  s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
41466  s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
41467  s_r(4, 0, 4) = s_r(4, 0, 4) + e_0_4_0*(1)*s_r_t2_4 ! cost: 5 flops
41468  s_r(4, 0, 4) = s_r(4, 0, 4) + e_1_4_0*(1)*s_r_t2_5 ! cost: 5 flops
41469  s_r(4, 0, 4) = s_r(4, 0, 4) + e_2_4_0*(1)*s_r_t2_6 ! cost: 5 flops
41470  s_r(4, 0, 4) = s_r(4, 0, 4) + e_3_4_0*(1)*s_r_t2_7 ! cost: 5 flops
41471  s_r(4, 0, 4) = s_r(4, 0, 4) + e_4_4_0*(1)*s_r_t2_8 ! cost: 5 flops
41472  r1 = r1 + dr
41473  END DO
41474 
41475  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
41476  END SUBROUTINE
41477  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_1_0_exp_0 ( &
41478  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
41479  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
41480  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
41481  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
41482  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
41483  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
41484  r_pow_t, r_tmp, rr1_delta, rr2_delta
41485 
41486  REAL(kind=dp) :: c1, c2, c3
41487  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
41488  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
41489  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
41490  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
41491  & h_to_c_4_5, h_to_c_5_5
41492  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
41493  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
41494  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1
41495 
41496 
41497  dr = lgth
41498  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
41499 
41500  s_r(:, :, :) = 0.0_dp
41501 
41502  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
41503 
41504  h_to_c_0_0 = sqrt(alpha/pi)
41505 
41506  h_to_c_0_1 = 0.0_dp
41507  h_to_c_1_1 = +2*alpha*h_to_c_0_0
41508  h_to_c_0_2 = -1*h_to_c_1_1
41509  h_to_c_1_2 = +2*alpha*h_to_c_0_1
41510  h_to_c_2_2 = +2*alpha*h_to_c_1_1
41511  h_to_c_0_3 = -1*h_to_c_1_2
41512  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
41513  h_to_c_2_3 = +2*alpha*h_to_c_1_2
41514  h_to_c_3_3 = +2*alpha*h_to_c_2_2
41515  h_to_c_0_4 = -1*h_to_c_1_3
41516  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
41517  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
41518  h_to_c_3_4 = +2*alpha*h_to_c_2_3
41519  h_to_c_4_4 = +2*alpha*h_to_c_3_3
41520  h_to_c_0_5 = -1*h_to_c_1_4
41521  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
41522  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
41523  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
41524  h_to_c_4_5 = +2*alpha*h_to_c_3_4
41525  h_to_c_5_5 = +2*alpha*h_to_c_4_4
41526 
41527 
41528  rr1_delta = (ra - rb)/dr
41529 
41530  rr1_l = ceiling(-r_c(1) + rr1_delta)
41531  rr1_r = floor(r_c(1) + rr1_delta)
41532 
41533  r1 = rr1_l*dr
41534 
41535  alpha_e = zeta*zetb/(zeta + zetb)
41536 
41537  DO rr1 = rr1_l, rr1_r
41538  s_r_t_0 = 0.0_dp
41539  s_r_t2_0 = 0.0_dp
41540  s_r_t_1 = 0.0_dp
41541  s_r_t2_1 = 0.0_dp
41542  s_r_t_2 = 0.0_dp
41543  s_r_t2_2 = 0.0_dp
41544  s_r_t_3 = 0.0_dp
41545  s_r_t2_3 = 0.0_dp
41546  s_r_t_4 = 0.0_dp
41547  s_r_t2_4 = 0.0_dp
41548  s_r_t_5 = 0.0_dp
41549  s_r_t2_5 = 0.0_dp
41550  r_tmp = r_offset + r1*zeta/(zeta + zetb)
41551  rr2_delta = -r_tmp/dr
41552 
41553  rr2_l = ceiling(-r_c(2) + rr2_delta)
41554  rr2_r = floor(r_c(2) + rr2_delta)
41555 
41556  r = r_tmp + (rr2_l)*dr
41557 
41558 
41559  DO rr2 = rr2_l, rr2_r
41560  r_pow_t = 1.0_dp
41561  exp2_rsq = exp(-alpha*r*r)
41562  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
41563  r_pow_t = r_pow_t*r
41564  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
41565  r_pow_t = r_pow_t*r
41566  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
41567  r_pow_t = r_pow_t*r
41568  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
41569  r_pow_t = r_pow_t*r
41570  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
41571  r_pow_t = r_pow_t*r
41572  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
41573 
41574  r = r + dr
41575  END DO
41576 
41577  ! C --> H
41578  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
41579  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
41580  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
41581  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
41582  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
41583  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
41584  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
41585  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
41586  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
41587  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
41588  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
41589  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
41590  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
41591  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
41592  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
41593  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
41594  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
41595  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
41596  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
41597  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
41598  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
41599 
41600  ! H --> HH
41601  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
41602 
41603  c1 = 1.0_dp/(zeta + zetb)
41604  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
41605  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
41606 
41607  e_0_1_0 = zeta*( &
41608  +c2*e_0_0_0&
41609 
41610  )
41611  e_0_0_1 = zetb*( &
41612  +c3*e_0_0_0&
41613 
41614  )
41615  e_1_1_0 = zeta*( c1*e_0_0_0 &
41616 
41617 
41618  )
41619  e_1_0_1 = zetb*( c1*e_0_0_0 &
41620 
41621 
41622  )
41623  e_0_2_0 = zeta*( &
41624  +c2*e_0_1_0&
41625  +2*e_1_1_0 &
41626  -2*e_0_0_0)
41627  e_0_1_1 = zetb*( &
41628  +c3*e_0_1_0&
41629  +2*e_1_1_0 &
41630  )
41631  e_1_2_0 = zeta*( c1*e_0_1_0 &
41632  +c2*e_1_1_0&
41633 
41634  )
41635  e_1_1_1 = zetb*( c1*e_0_1_0 &
41636  +c3*e_1_1_0&
41637 
41638  )
41639  e_2_2_0 = zeta*( c1*e_1_1_0 &
41640 
41641 
41642  )
41643  e_2_1_1 = zetb*( c1*e_1_1_0 &
41644 
41645 
41646  )
41647  e_0_3_0 = zeta*( &
41648  +c2*e_0_2_0&
41649  +2*e_1_2_0 &
41650  -4*e_0_1_0)
41651  e_0_2_1 = zetb*( &
41652  +c3*e_0_2_0&
41653  +2*e_1_2_0 &
41654  )
41655  e_1_3_0 = zeta*( c1*e_0_2_0 &
41656  +c2*e_1_2_0&
41657  +4*e_2_2_0 &
41658  -4*e_1_1_0)
41659  e_1_2_1 = zetb*( c1*e_0_2_0 &
41660  +c3*e_1_2_0&
41661  +4*e_2_2_0 &
41662  )
41663  e_2_3_0 = zeta*( c1*e_1_2_0 &
41664  +c2*e_2_2_0&
41665 
41666  )
41667  e_2_2_1 = zetb*( c1*e_1_2_0 &
41668  +c3*e_2_2_0&
41669 
41670  )
41671  e_3_3_0 = zeta*( c1*e_2_2_0 &
41672 
41673 
41674  )
41675  e_3_2_1 = zetb*( c1*e_2_2_0 &
41676 
41677 
41678  )
41679  e_0_4_0 = zeta*( &
41680  +c2*e_0_3_0&
41681  +2*e_1_3_0 &
41682  -6*e_0_2_0)
41683  e_0_3_1 = zetb*( &
41684  +c3*e_0_3_0&
41685  +2*e_1_3_0 &
41686  )
41687  e_1_4_0 = zeta*( c1*e_0_3_0 &
41688  +c2*e_1_3_0&
41689  +4*e_2_3_0 &
41690  -6*e_1_2_0)
41691  e_1_3_1 = zetb*( c1*e_0_3_0 &
41692  +c3*e_1_3_0&
41693  +4*e_2_3_0 &
41694  )
41695  e_2_4_0 = zeta*( c1*e_1_3_0 &
41696  +c2*e_2_3_0&
41697  +6*e_3_3_0 &
41698  -6*e_2_2_0)
41699  e_2_3_1 = zetb*( c1*e_1_3_0 &
41700  +c3*e_2_3_0&
41701  +6*e_3_3_0 &
41702  )
41703  e_3_4_0 = zeta*( c1*e_2_3_0 &
41704  +c2*e_3_3_0&
41705 
41706  )
41707  e_3_3_1 = zetb*( c1*e_2_3_0 &
41708  +c3*e_3_3_0&
41709 
41710  )
41711  e_4_4_0 = zeta*( c1*e_3_3_0 &
41712 
41713 
41714  )
41715  e_4_3_1 = zetb*( c1*e_3_3_0 &
41716 
41717 
41718  )
41719  e_0_4_1 = zetb*( &
41720  +c3*e_0_4_0&
41721  +2*e_1_4_0 &
41722  )
41723  e_1_4_1 = zetb*( c1*e_0_4_0 &
41724  +c3*e_1_4_0&
41725  +4*e_2_4_0 &
41726  )
41727  e_2_4_1 = zetb*( c1*e_1_4_0 &
41728  +c3*e_2_4_0&
41729  +6*e_3_4_0 &
41730  )
41731  e_3_4_1 = zetb*( c1*e_2_4_0 &
41732  +c3*e_3_4_0&
41733  +8*e_4_4_0 &
41734  )
41735  e_4_4_1 = zetb*( c1*e_3_4_0 &
41736  +c3*e_4_4_0&
41737 
41738  )
41739  e_5_4_1 = zetb*( c1*e_4_4_0 &
41740 
41741 
41742  )
41743  e_0_1_1 = zeta*( &
41744  +c2*e_0_0_1&
41745  +2*e_1_0_1 &
41746  )
41747  e_1_1_1 = zeta*( c1*e_0_0_1 &
41748  +c2*e_1_0_1&
41749 
41750  )
41751  e_2_1_1 = zeta*( c1*e_1_0_1 &
41752 
41753 
41754  )
41755  e_0_2_1 = zeta*( &
41756  +c2*e_0_1_1&
41757  +2*e_1_1_1 &
41758  -2*e_0_0_1)
41759  e_1_2_1 = zeta*( c1*e_0_1_1 &
41760  +c2*e_1_1_1&
41761  +4*e_2_1_1 &
41762  -2*e_1_0_1)
41763  e_2_2_1 = zeta*( c1*e_1_1_1 &
41764  +c2*e_2_1_1&
41765 
41766  )
41767  e_3_2_1 = zeta*( c1*e_2_1_1 &
41768 
41769 
41770  )
41771  e_0_3_1 = zeta*( &
41772  +c2*e_0_2_1&
41773  +2*e_1_2_1 &
41774  -4*e_0_1_1)
41775  e_1_3_1 = zeta*( c1*e_0_2_1 &
41776  +c2*e_1_2_1&
41777  +4*e_2_2_1 &
41778  -4*e_1_1_1)
41779  e_2_3_1 = zeta*( c1*e_1_2_1 &
41780  +c2*e_2_2_1&
41781  +6*e_3_2_1 &
41782  -4*e_2_1_1)
41783  e_3_3_1 = zeta*( c1*e_2_2_1 &
41784  +c2*e_3_2_1&
41785 
41786  )
41787  e_4_3_1 = zeta*( c1*e_3_2_1 &
41788 
41789 
41790  )
41791  e_0_4_1 = zeta*( &
41792  +c2*e_0_3_1&
41793  +2*e_1_3_1 &
41794  -6*e_0_2_1)
41795  e_1_4_1 = zeta*( c1*e_0_3_1 &
41796  +c2*e_1_3_1&
41797  +4*e_2_3_1 &
41798  -6*e_1_2_1)
41799  e_2_4_1 = zeta*( c1*e_1_3_1 &
41800  +c2*e_2_3_1&
41801  +6*e_3_3_1 &
41802  -6*e_2_2_1)
41803  e_3_4_1 = zeta*( c1*e_2_3_1 &
41804  +c2*e_3_3_1&
41805  +8*e_4_3_1 &
41806  -6*e_3_2_1)
41807  e_4_4_1 = zeta*( c1*e_3_3_1 &
41808  +c2*e_4_3_1&
41809 
41810  )
41811  e_5_4_1 = zeta*( c1*e_4_3_1 &
41812 
41813 
41814  )
41815 
41816  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
41817  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
41818  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
41819  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
41820  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
41821  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
41822  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
41823  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
41824  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
41825  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
41826  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
41827  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
41828  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
41829  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
41830  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
41831  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
41832  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
41833  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
41834  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
41835  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
41836  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
41837  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
41838  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
41839  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
41840  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
41841  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
41842  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
41843  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
41844  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
41845  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
41846  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
41847  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
41848  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
41849  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
41850  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
41851  r1 = r1 + dr
41852  END DO
41853 
41854  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
41855  END SUBROUTINE
41856  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_1_1_exp_0 ( &
41857  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
41858  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
41859  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
41860  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
41861  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
41862  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
41863  r_pow_t, r_tmp, rr1_delta, rr2_delta
41864 
41865  REAL(kind=dp) :: c1, c2, c3
41866  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
41867  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
41868  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
41869  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
41870  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
41871  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
41872  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
41873  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1
41874 
41875 
41876  dr = lgth
41877  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
41878 
41879  s_r(:, :, :) = 0.0_dp
41880 
41881  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
41882 
41883  h_to_c_0_0 = sqrt(alpha/pi)
41884 
41885  h_to_c_0_1 = 0.0_dp
41886  h_to_c_1_1 = +2*alpha*h_to_c_0_0
41887  h_to_c_0_2 = -1*h_to_c_1_1
41888  h_to_c_1_2 = +2*alpha*h_to_c_0_1
41889  h_to_c_2_2 = +2*alpha*h_to_c_1_1
41890  h_to_c_0_3 = -1*h_to_c_1_2
41891  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
41892  h_to_c_2_3 = +2*alpha*h_to_c_1_2
41893  h_to_c_3_3 = +2*alpha*h_to_c_2_2
41894  h_to_c_0_4 = -1*h_to_c_1_3
41895  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
41896  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
41897  h_to_c_3_4 = +2*alpha*h_to_c_2_3
41898  h_to_c_4_4 = +2*alpha*h_to_c_3_3
41899  h_to_c_0_5 = -1*h_to_c_1_4
41900  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
41901  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
41902  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
41903  h_to_c_4_5 = +2*alpha*h_to_c_3_4
41904  h_to_c_5_5 = +2*alpha*h_to_c_4_4
41905  h_to_c_0_6 = -1*h_to_c_1_5
41906  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
41907  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
41908  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
41909  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
41910  h_to_c_5_6 = +2*alpha*h_to_c_4_5
41911  h_to_c_6_6 = +2*alpha*h_to_c_5_5
41912 
41913 
41914  rr1_delta = (ra - rb)/dr
41915 
41916  rr1_l = ceiling(-r_c(1) + rr1_delta)
41917  rr1_r = floor(r_c(1) + rr1_delta)
41918 
41919  r1 = rr1_l*dr
41920 
41921  alpha_e = zeta*zetb/(zeta + zetb)
41922 
41923  DO rr1 = rr1_l, rr1_r
41924  s_r_t_0 = 0.0_dp
41925  s_r_t2_0 = 0.0_dp
41926  s_r_t_1 = 0.0_dp
41927  s_r_t2_1 = 0.0_dp
41928  s_r_t_2 = 0.0_dp
41929  s_r_t2_2 = 0.0_dp
41930  s_r_t_3 = 0.0_dp
41931  s_r_t2_3 = 0.0_dp
41932  s_r_t_4 = 0.0_dp
41933  s_r_t2_4 = 0.0_dp
41934  s_r_t_5 = 0.0_dp
41935  s_r_t2_5 = 0.0_dp
41936  s_r_t_6 = 0.0_dp
41937  s_r_t2_6 = 0.0_dp
41938  r_tmp = r_offset + r1*zeta/(zeta + zetb)
41939  rr2_delta = -r_tmp/dr
41940 
41941  rr2_l = ceiling(-r_c(2) + rr2_delta)
41942  rr2_r = floor(r_c(2) + rr2_delta)
41943 
41944  r = r_tmp + (rr2_l)*dr
41945 
41946 
41947  DO rr2 = rr2_l, rr2_r
41948  r_pow_t = 1.0_dp
41949  exp2_rsq = exp(-alpha*r*r)
41950  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
41951  r_pow_t = r_pow_t*r
41952  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
41953  r_pow_t = r_pow_t*r
41954  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
41955  r_pow_t = r_pow_t*r
41956  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
41957  r_pow_t = r_pow_t*r
41958  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
41959  r_pow_t = r_pow_t*r
41960  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
41961  r_pow_t = r_pow_t*r
41962  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
41963 
41964  r = r + dr
41965  END DO
41966 
41967  ! C --> H
41968  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
41969  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
41970  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
41971  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
41972  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
41973  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
41974  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
41975  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
41976  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
41977  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
41978  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
41979  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
41980  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
41981  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
41982  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
41983  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
41984  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
41985  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
41986  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
41987  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
41988  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
41989  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
41990  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
41991  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
41992  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
41993  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
41994  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
41995  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
41996 
41997  ! H --> HH
41998  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
41999 
42000  c1 = 1.0_dp/(zeta + zetb)
42001  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
42002  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
42003 
42004  e_0_1_0 = zeta*( &
42005  +c2*e_0_0_0&
42006 
42007  )
42008  e_0_0_1 = zetb*( &
42009  +c3*e_0_0_0&
42010 
42011  )
42012  e_1_1_0 = zeta*( c1*e_0_0_0 &
42013 
42014 
42015  )
42016  e_1_0_1 = zetb*( c1*e_0_0_0 &
42017 
42018 
42019  )
42020  e_0_2_0 = zeta*( &
42021  +c2*e_0_1_0&
42022  +2*e_1_1_0 &
42023  -2*e_0_0_0)
42024  e_0_1_1 = zetb*( &
42025  +c3*e_0_1_0&
42026  +2*e_1_1_0 &
42027  )
42028  e_1_2_0 = zeta*( c1*e_0_1_0 &
42029  +c2*e_1_1_0&
42030 
42031  )
42032  e_1_1_1 = zetb*( c1*e_0_1_0 &
42033  +c3*e_1_1_0&
42034 
42035  )
42036  e_2_2_0 = zeta*( c1*e_1_1_0 &
42037 
42038 
42039  )
42040  e_2_1_1 = zetb*( c1*e_1_1_0 &
42041 
42042 
42043  )
42044  e_0_3_0 = zeta*( &
42045  +c2*e_0_2_0&
42046  +2*e_1_2_0 &
42047  -4*e_0_1_0)
42048  e_0_2_1 = zetb*( &
42049  +c3*e_0_2_0&
42050  +2*e_1_2_0 &
42051  )
42052  e_1_3_0 = zeta*( c1*e_0_2_0 &
42053  +c2*e_1_2_0&
42054  +4*e_2_2_0 &
42055  -4*e_1_1_0)
42056  e_1_2_1 = zetb*( c1*e_0_2_0 &
42057  +c3*e_1_2_0&
42058  +4*e_2_2_0 &
42059  )
42060  e_2_3_0 = zeta*( c1*e_1_2_0 &
42061  +c2*e_2_2_0&
42062 
42063  )
42064  e_2_2_1 = zetb*( c1*e_1_2_0 &
42065  +c3*e_2_2_0&
42066 
42067  )
42068  e_3_3_0 = zeta*( c1*e_2_2_0 &
42069 
42070 
42071  )
42072  e_3_2_1 = zetb*( c1*e_2_2_0 &
42073 
42074 
42075  )
42076  e_0_4_0 = zeta*( &
42077  +c2*e_0_3_0&
42078  +2*e_1_3_0 &
42079  -6*e_0_2_0)
42080  e_0_3_1 = zetb*( &
42081  +c3*e_0_3_0&
42082  +2*e_1_3_0 &
42083  )
42084  e_1_4_0 = zeta*( c1*e_0_3_0 &
42085  +c2*e_1_3_0&
42086  +4*e_2_3_0 &
42087  -6*e_1_2_0)
42088  e_1_3_1 = zetb*( c1*e_0_3_0 &
42089  +c3*e_1_3_0&
42090  +4*e_2_3_0 &
42091  )
42092  e_2_4_0 = zeta*( c1*e_1_3_0 &
42093  +c2*e_2_3_0&
42094  +6*e_3_3_0 &
42095  -6*e_2_2_0)
42096  e_2_3_1 = zetb*( c1*e_1_3_0 &
42097  +c3*e_2_3_0&
42098  +6*e_3_3_0 &
42099  )
42100  e_3_4_0 = zeta*( c1*e_2_3_0 &
42101  +c2*e_3_3_0&
42102 
42103  )
42104  e_3_3_1 = zetb*( c1*e_2_3_0 &
42105  +c3*e_3_3_0&
42106 
42107  )
42108  e_4_4_0 = zeta*( c1*e_3_3_0 &
42109 
42110 
42111  )
42112  e_4_3_1 = zetb*( c1*e_3_3_0 &
42113 
42114 
42115  )
42116  e_0_4_1 = zetb*( &
42117  +c3*e_0_4_0&
42118  +2*e_1_4_0 &
42119  )
42120  e_1_4_1 = zetb*( c1*e_0_4_0 &
42121  +c3*e_1_4_0&
42122  +4*e_2_4_0 &
42123  )
42124  e_2_4_1 = zetb*( c1*e_1_4_0 &
42125  +c3*e_2_4_0&
42126  +6*e_3_4_0 &
42127  )
42128  e_3_4_1 = zetb*( c1*e_2_4_0 &
42129  +c3*e_3_4_0&
42130  +8*e_4_4_0 &
42131  )
42132  e_4_4_1 = zetb*( c1*e_3_4_0 &
42133  +c3*e_4_4_0&
42134 
42135  )
42136  e_5_4_1 = zetb*( c1*e_4_4_0 &
42137 
42138 
42139  )
42140  e_0_1_1 = zeta*( &
42141  +c2*e_0_0_1&
42142  +2*e_1_0_1 &
42143  )
42144  e_1_1_1 = zeta*( c1*e_0_0_1 &
42145  +c2*e_1_0_1&
42146 
42147  )
42148  e_2_1_1 = zeta*( c1*e_1_0_1 &
42149 
42150 
42151  )
42152  e_0_2_1 = zeta*( &
42153  +c2*e_0_1_1&
42154  +2*e_1_1_1 &
42155  -2*e_0_0_1)
42156  e_1_2_1 = zeta*( c1*e_0_1_1 &
42157  +c2*e_1_1_1&
42158  +4*e_2_1_1 &
42159  -2*e_1_0_1)
42160  e_2_2_1 = zeta*( c1*e_1_1_1 &
42161  +c2*e_2_1_1&
42162 
42163  )
42164  e_3_2_1 = zeta*( c1*e_2_1_1 &
42165 
42166 
42167  )
42168  e_0_3_1 = zeta*( &
42169  +c2*e_0_2_1&
42170  +2*e_1_2_1 &
42171  -4*e_0_1_1)
42172  e_1_3_1 = zeta*( c1*e_0_2_1 &
42173  +c2*e_1_2_1&
42174  +4*e_2_2_1 &
42175  -4*e_1_1_1)
42176  e_2_3_1 = zeta*( c1*e_1_2_1 &
42177  +c2*e_2_2_1&
42178  +6*e_3_2_1 &
42179  -4*e_2_1_1)
42180  e_3_3_1 = zeta*( c1*e_2_2_1 &
42181  +c2*e_3_2_1&
42182 
42183  )
42184  e_4_3_1 = zeta*( c1*e_3_2_1 &
42185 
42186 
42187  )
42188  e_0_4_1 = zeta*( &
42189  +c2*e_0_3_1&
42190  +2*e_1_3_1 &
42191  -6*e_0_2_1)
42192  e_1_4_1 = zeta*( c1*e_0_3_1 &
42193  +c2*e_1_3_1&
42194  +4*e_2_3_1 &
42195  -6*e_1_2_1)
42196  e_2_4_1 = zeta*( c1*e_1_3_1 &
42197  +c2*e_2_3_1&
42198  +6*e_3_3_1 &
42199  -6*e_2_2_1)
42200  e_3_4_1 = zeta*( c1*e_2_3_1 &
42201  +c2*e_3_3_1&
42202  +8*e_4_3_1 &
42203  -6*e_3_2_1)
42204  e_4_4_1 = zeta*( c1*e_3_3_1 &
42205  +c2*e_4_3_1&
42206 
42207  )
42208  e_5_4_1 = zeta*( c1*e_4_3_1 &
42209 
42210 
42211  )
42212 
42213  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
42214  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
42215  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
42216  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
42217  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
42218  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
42219  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
42220  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
42221  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
42222  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
42223  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
42224  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
42225  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
42226  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
42227  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
42228  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
42229  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
42230  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
42231  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
42232  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
42233  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
42234  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
42235  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
42236  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
42237  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
42238  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
42239  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
42240  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
42241  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
42242  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
42243  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
42244  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
42245  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
42246  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
42247  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
42248  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
42249  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
42250  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
42251  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
42252  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
42253  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
42254  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
42255  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
42256  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
42257  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
42258  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
42259  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
42260  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
42261  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
42262  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
42263  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
42264  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
42265  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
42266  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
42267  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
42268  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
42269  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
42270  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
42271  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
42272  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
42273  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
42274  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
42275  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
42276  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
42277  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
42278  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
42279  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
42280  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
42281  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
42282  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
42283  r1 = r1 + dr
42284  END DO
42285 
42286  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
42287  END SUBROUTINE
42288  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_1_2_exp_0 ( &
42289  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
42290  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
42291  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
42292  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
42293  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
42294  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
42295  r_pow_t, r_tmp, rr1_delta, rr2_delta
42296 
42297  REAL(kind=dp) :: c1, c2, c3
42298  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
42299  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
42300  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
42301  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
42302  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
42303  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
42304  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
42305  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
42306  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1
42307 
42308 
42309  dr = lgth
42310  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
42311 
42312  s_r(:, :, :) = 0.0_dp
42313 
42314  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
42315 
42316  h_to_c_0_0 = sqrt(alpha/pi)
42317 
42318  h_to_c_0_1 = 0.0_dp
42319  h_to_c_1_1 = +2*alpha*h_to_c_0_0
42320  h_to_c_0_2 = -1*h_to_c_1_1
42321  h_to_c_1_2 = +2*alpha*h_to_c_0_1
42322  h_to_c_2_2 = +2*alpha*h_to_c_1_1
42323  h_to_c_0_3 = -1*h_to_c_1_2
42324  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
42325  h_to_c_2_3 = +2*alpha*h_to_c_1_2
42326  h_to_c_3_3 = +2*alpha*h_to_c_2_2
42327  h_to_c_0_4 = -1*h_to_c_1_3
42328  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
42329  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
42330  h_to_c_3_4 = +2*alpha*h_to_c_2_3
42331  h_to_c_4_4 = +2*alpha*h_to_c_3_3
42332  h_to_c_0_5 = -1*h_to_c_1_4
42333  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
42334  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
42335  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
42336  h_to_c_4_5 = +2*alpha*h_to_c_3_4
42337  h_to_c_5_5 = +2*alpha*h_to_c_4_4
42338  h_to_c_0_6 = -1*h_to_c_1_5
42339  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
42340  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
42341  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
42342  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
42343  h_to_c_5_6 = +2*alpha*h_to_c_4_5
42344  h_to_c_6_6 = +2*alpha*h_to_c_5_5
42345  h_to_c_0_7 = -1*h_to_c_1_6
42346  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
42347  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
42348  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
42349  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
42350  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
42351  h_to_c_6_7 = +2*alpha*h_to_c_5_6
42352  h_to_c_7_7 = +2*alpha*h_to_c_6_6
42353 
42354 
42355  rr1_delta = (ra - rb)/dr
42356 
42357  rr1_l = ceiling(-r_c(1) + rr1_delta)
42358  rr1_r = floor(r_c(1) + rr1_delta)
42359 
42360  r1 = rr1_l*dr
42361 
42362  alpha_e = zeta*zetb/(zeta + zetb)
42363 
42364  DO rr1 = rr1_l, rr1_r
42365  s_r_t_0 = 0.0_dp
42366  s_r_t2_0 = 0.0_dp
42367  s_r_t_1 = 0.0_dp
42368  s_r_t2_1 = 0.0_dp
42369  s_r_t_2 = 0.0_dp
42370  s_r_t2_2 = 0.0_dp
42371  s_r_t_3 = 0.0_dp
42372  s_r_t2_3 = 0.0_dp
42373  s_r_t_4 = 0.0_dp
42374  s_r_t2_4 = 0.0_dp
42375  s_r_t_5 = 0.0_dp
42376  s_r_t2_5 = 0.0_dp
42377  s_r_t_6 = 0.0_dp
42378  s_r_t2_6 = 0.0_dp
42379  s_r_t_7 = 0.0_dp
42380  s_r_t2_7 = 0.0_dp
42381  r_tmp = r_offset + r1*zeta/(zeta + zetb)
42382  rr2_delta = -r_tmp/dr
42383 
42384  rr2_l = ceiling(-r_c(2) + rr2_delta)
42385  rr2_r = floor(r_c(2) + rr2_delta)
42386 
42387  r = r_tmp + (rr2_l)*dr
42388 
42389 
42390  DO rr2 = rr2_l, rr2_r
42391  r_pow_t = 1.0_dp
42392  exp2_rsq = exp(-alpha*r*r)
42393  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
42394  r_pow_t = r_pow_t*r
42395  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
42396  r_pow_t = r_pow_t*r
42397  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
42398  r_pow_t = r_pow_t*r
42399  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
42400  r_pow_t = r_pow_t*r
42401  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
42402  r_pow_t = r_pow_t*r
42403  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
42404  r_pow_t = r_pow_t*r
42405  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
42406  r_pow_t = r_pow_t*r
42407  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
42408 
42409  r = r + dr
42410  END DO
42411 
42412  ! C --> H
42413  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
42414  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
42415  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
42416  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
42417  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
42418  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
42419  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
42420  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
42421  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
42422  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
42423  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
42424  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
42425  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
42426  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
42427  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
42428  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
42429  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
42430  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
42431  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
42432  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
42433  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
42434  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
42435  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
42436  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
42437  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
42438  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
42439  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
42440  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
42441  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
42442  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
42443  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
42444  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
42445  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
42446  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
42447  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
42448  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
42449 
42450  ! H --> HH
42451  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
42452 
42453  c1 = 1.0_dp/(zeta + zetb)
42454  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
42455  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
42456 
42457  e_0_1_0 = zeta*( &
42458  +c2*e_0_0_0&
42459 
42460  )
42461  e_0_0_1 = zetb*( &
42462  +c3*e_0_0_0&
42463 
42464  )
42465  e_1_1_0 = zeta*( c1*e_0_0_0 &
42466 
42467 
42468  )
42469  e_1_0_1 = zetb*( c1*e_0_0_0 &
42470 
42471 
42472  )
42473  e_0_2_0 = zeta*( &
42474  +c2*e_0_1_0&
42475  +2*e_1_1_0 &
42476  -2*e_0_0_0)
42477  e_0_1_1 = zetb*( &
42478  +c3*e_0_1_0&
42479  +2*e_1_1_0 &
42480  )
42481  e_1_2_0 = zeta*( c1*e_0_1_0 &
42482  +c2*e_1_1_0&
42483 
42484  )
42485  e_1_1_1 = zetb*( c1*e_0_1_0 &
42486  +c3*e_1_1_0&
42487 
42488  )
42489  e_2_2_0 = zeta*( c1*e_1_1_0 &
42490 
42491 
42492  )
42493  e_2_1_1 = zetb*( c1*e_1_1_0 &
42494 
42495 
42496  )
42497  e_0_3_0 = zeta*( &
42498  +c2*e_0_2_0&
42499  +2*e_1_2_0 &
42500  -4*e_0_1_0)
42501  e_0_2_1 = zetb*( &
42502  +c3*e_0_2_0&
42503  +2*e_1_2_0 &
42504  )
42505  e_1_3_0 = zeta*( c1*e_0_2_0 &
42506  +c2*e_1_2_0&
42507  +4*e_2_2_0 &
42508  -4*e_1_1_0)
42509  e_1_2_1 = zetb*( c1*e_0_2_0 &
42510  +c3*e_1_2_0&
42511  +4*e_2_2_0 &
42512  )
42513  e_2_3_0 = zeta*( c1*e_1_2_0 &
42514  +c2*e_2_2_0&
42515 
42516  )
42517  e_2_2_1 = zetb*( c1*e_1_2_0 &
42518  +c3*e_2_2_0&
42519 
42520  )
42521  e_3_3_0 = zeta*( c1*e_2_2_0 &
42522 
42523 
42524  )
42525  e_3_2_1 = zetb*( c1*e_2_2_0 &
42526 
42527 
42528  )
42529  e_0_4_0 = zeta*( &
42530  +c2*e_0_3_0&
42531  +2*e_1_3_0 &
42532  -6*e_0_2_0)
42533  e_0_3_1 = zetb*( &
42534  +c3*e_0_3_0&
42535  +2*e_1_3_0 &
42536  )
42537  e_1_4_0 = zeta*( c1*e_0_3_0 &
42538  +c2*e_1_3_0&
42539  +4*e_2_3_0 &
42540  -6*e_1_2_0)
42541  e_1_3_1 = zetb*( c1*e_0_3_0 &
42542  +c3*e_1_3_0&
42543  +4*e_2_3_0 &
42544  )
42545  e_2_4_0 = zeta*( c1*e_1_3_0 &
42546  +c2*e_2_3_0&
42547  +6*e_3_3_0 &
42548  -6*e_2_2_0)
42549  e_2_3_1 = zetb*( c1*e_1_3_0 &
42550  +c3*e_2_3_0&
42551  +6*e_3_3_0 &
42552  )
42553  e_3_4_0 = zeta*( c1*e_2_3_0 &
42554  +c2*e_3_3_0&
42555 
42556  )
42557  e_3_3_1 = zetb*( c1*e_2_3_0 &
42558  +c3*e_3_3_0&
42559 
42560  )
42561  e_4_4_0 = zeta*( c1*e_3_3_0 &
42562 
42563 
42564  )
42565  e_4_3_1 = zetb*( c1*e_3_3_0 &
42566 
42567 
42568  )
42569  e_0_4_1 = zetb*( &
42570  +c3*e_0_4_0&
42571  +2*e_1_4_0 &
42572  )
42573  e_1_4_1 = zetb*( c1*e_0_4_0 &
42574  +c3*e_1_4_0&
42575  +4*e_2_4_0 &
42576  )
42577  e_2_4_1 = zetb*( c1*e_1_4_0 &
42578  +c3*e_2_4_0&
42579  +6*e_3_4_0 &
42580  )
42581  e_3_4_1 = zetb*( c1*e_2_4_0 &
42582  +c3*e_3_4_0&
42583  +8*e_4_4_0 &
42584  )
42585  e_4_4_1 = zetb*( c1*e_3_4_0 &
42586  +c3*e_4_4_0&
42587 
42588  )
42589  e_5_4_1 = zetb*( c1*e_4_4_0 &
42590 
42591 
42592  )
42593  e_0_1_1 = zeta*( &
42594  +c2*e_0_0_1&
42595  +2*e_1_0_1 &
42596  )
42597  e_1_1_1 = zeta*( c1*e_0_0_1 &
42598  +c2*e_1_0_1&
42599 
42600  )
42601  e_2_1_1 = zeta*( c1*e_1_0_1 &
42602 
42603 
42604  )
42605  e_0_2_1 = zeta*( &
42606  +c2*e_0_1_1&
42607  +2*e_1_1_1 &
42608  -2*e_0_0_1)
42609  e_1_2_1 = zeta*( c1*e_0_1_1 &
42610  +c2*e_1_1_1&
42611  +4*e_2_1_1 &
42612  -2*e_1_0_1)
42613  e_2_2_1 = zeta*( c1*e_1_1_1 &
42614  +c2*e_2_1_1&
42615 
42616  )
42617  e_3_2_1 = zeta*( c1*e_2_1_1 &
42618 
42619 
42620  )
42621  e_0_3_1 = zeta*( &
42622  +c2*e_0_2_1&
42623  +2*e_1_2_1 &
42624  -4*e_0_1_1)
42625  e_1_3_1 = zeta*( c1*e_0_2_1 &
42626  +c2*e_1_2_1&
42627  +4*e_2_2_1 &
42628  -4*e_1_1_1)
42629  e_2_3_1 = zeta*( c1*e_1_2_1 &
42630  +c2*e_2_2_1&
42631  +6*e_3_2_1 &
42632  -4*e_2_1_1)
42633  e_3_3_1 = zeta*( c1*e_2_2_1 &
42634  +c2*e_3_2_1&
42635 
42636  )
42637  e_4_3_1 = zeta*( c1*e_3_2_1 &
42638 
42639 
42640  )
42641  e_0_4_1 = zeta*( &
42642  +c2*e_0_3_1&
42643  +2*e_1_3_1 &
42644  -6*e_0_2_1)
42645  e_1_4_1 = zeta*( c1*e_0_3_1 &
42646  +c2*e_1_3_1&
42647  +4*e_2_3_1 &
42648  -6*e_1_2_1)
42649  e_2_4_1 = zeta*( c1*e_1_3_1 &
42650  +c2*e_2_3_1&
42651  +6*e_3_3_1 &
42652  -6*e_2_2_1)
42653  e_3_4_1 = zeta*( c1*e_2_3_1 &
42654  +c2*e_3_3_1&
42655  +8*e_4_3_1 &
42656  -6*e_3_2_1)
42657  e_4_4_1 = zeta*( c1*e_3_3_1 &
42658  +c2*e_4_3_1&
42659 
42660  )
42661  e_5_4_1 = zeta*( c1*e_4_3_1 &
42662 
42663 
42664  )
42665 
42666  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
42667  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
42668  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
42669  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
42670  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
42671  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
42672  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
42673  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
42674  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
42675  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
42676  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
42677  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
42678  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
42679  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
42680  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
42681  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
42682  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
42683  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
42684  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
42685  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
42686  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
42687  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
42688  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
42689  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
42690  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
42691  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
42692  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
42693  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
42694  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
42695  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
42696  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
42697  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
42698  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
42699  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
42700  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
42701  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
42702  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
42703  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
42704  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
42705  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
42706  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
42707  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
42708  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
42709  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
42710  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
42711  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
42712  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
42713  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
42714  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
42715  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
42716  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
42717  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
42718  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
42719  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
42720  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
42721  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
42722  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
42723  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
42724  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
42725  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
42726  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
42727  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
42728  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
42729  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
42730  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
42731  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
42732  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
42733  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
42734  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
42735  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
42736  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
42737  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
42738  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
42739  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
42740  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
42741  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
42742  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
42743  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
42744  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
42745  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
42746  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
42747  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
42748  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
42749  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
42750  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
42751  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
42752  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
42753  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
42754  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
42755  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
42756  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
42757  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
42758  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
42759  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
42760  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
42761  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
42762  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
42763  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
42764  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
42765  s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
42766  s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
42767  s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
42768  s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
42769  s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
42770  s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
42771  r1 = r1 + dr
42772  END DO
42773 
42774  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
42775  END SUBROUTINE
42776  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_1_3_exp_0 ( &
42777  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
42778  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
42779  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
42780  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
42781  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
42782  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
42783  r_pow_t, r_tmp, rr1_delta, rr2_delta
42784 
42785  REAL(kind=dp) :: c1, c2, c3
42786  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
42787  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
42788  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
42789  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
42790  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
42791  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
42792  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
42793  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
42794  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
42795  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1
42796 
42797 
42798  dr = lgth
42799  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
42800 
42801  s_r(:, :, :) = 0.0_dp
42802 
42803  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
42804 
42805  h_to_c_0_0 = sqrt(alpha/pi)
42806 
42807  h_to_c_0_1 = 0.0_dp
42808  h_to_c_1_1 = +2*alpha*h_to_c_0_0
42809  h_to_c_0_2 = -1*h_to_c_1_1
42810  h_to_c_1_2 = +2*alpha*h_to_c_0_1
42811  h_to_c_2_2 = +2*alpha*h_to_c_1_1
42812  h_to_c_0_3 = -1*h_to_c_1_2
42813  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
42814  h_to_c_2_3 = +2*alpha*h_to_c_1_2
42815  h_to_c_3_3 = +2*alpha*h_to_c_2_2
42816  h_to_c_0_4 = -1*h_to_c_1_3
42817  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
42818  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
42819  h_to_c_3_4 = +2*alpha*h_to_c_2_3
42820  h_to_c_4_4 = +2*alpha*h_to_c_3_3
42821  h_to_c_0_5 = -1*h_to_c_1_4
42822  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
42823  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
42824  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
42825  h_to_c_4_5 = +2*alpha*h_to_c_3_4
42826  h_to_c_5_5 = +2*alpha*h_to_c_4_4
42827  h_to_c_0_6 = -1*h_to_c_1_5
42828  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
42829  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
42830  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
42831  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
42832  h_to_c_5_6 = +2*alpha*h_to_c_4_5
42833  h_to_c_6_6 = +2*alpha*h_to_c_5_5
42834  h_to_c_0_7 = -1*h_to_c_1_6
42835  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
42836  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
42837  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
42838  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
42839  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
42840  h_to_c_6_7 = +2*alpha*h_to_c_5_6
42841  h_to_c_7_7 = +2*alpha*h_to_c_6_6
42842  h_to_c_0_8 = -1*h_to_c_1_7
42843  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
42844  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
42845  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
42846  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
42847  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
42848  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
42849  h_to_c_7_8 = +2*alpha*h_to_c_6_7
42850  h_to_c_8_8 = +2*alpha*h_to_c_7_7
42851 
42852 
42853  rr1_delta = (ra - rb)/dr
42854 
42855  rr1_l = ceiling(-r_c(1) + rr1_delta)
42856  rr1_r = floor(r_c(1) + rr1_delta)
42857 
42858  r1 = rr1_l*dr
42859 
42860  alpha_e = zeta*zetb/(zeta + zetb)
42861 
42862  DO rr1 = rr1_l, rr1_r
42863  s_r_t_0 = 0.0_dp
42864  s_r_t2_0 = 0.0_dp
42865  s_r_t_1 = 0.0_dp
42866  s_r_t2_1 = 0.0_dp
42867  s_r_t_2 = 0.0_dp
42868  s_r_t2_2 = 0.0_dp
42869  s_r_t_3 = 0.0_dp
42870  s_r_t2_3 = 0.0_dp
42871  s_r_t_4 = 0.0_dp
42872  s_r_t2_4 = 0.0_dp
42873  s_r_t_5 = 0.0_dp
42874  s_r_t2_5 = 0.0_dp
42875  s_r_t_6 = 0.0_dp
42876  s_r_t2_6 = 0.0_dp
42877  s_r_t_7 = 0.0_dp
42878  s_r_t2_7 = 0.0_dp
42879  s_r_t_8 = 0.0_dp
42880  s_r_t2_8 = 0.0_dp
42881  r_tmp = r_offset + r1*zeta/(zeta + zetb)
42882  rr2_delta = -r_tmp/dr
42883 
42884  rr2_l = ceiling(-r_c(2) + rr2_delta)
42885  rr2_r = floor(r_c(2) + rr2_delta)
42886 
42887  r = r_tmp + (rr2_l)*dr
42888 
42889 
42890  DO rr2 = rr2_l, rr2_r
42891  r_pow_t = 1.0_dp
42892  exp2_rsq = exp(-alpha*r*r)
42893  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
42894  r_pow_t = r_pow_t*r
42895  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
42896  r_pow_t = r_pow_t*r
42897  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
42898  r_pow_t = r_pow_t*r
42899  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
42900  r_pow_t = r_pow_t*r
42901  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
42902  r_pow_t = r_pow_t*r
42903  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
42904  r_pow_t = r_pow_t*r
42905  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
42906  r_pow_t = r_pow_t*r
42907  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
42908  r_pow_t = r_pow_t*r
42909  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
42910 
42911  r = r + dr
42912  END DO
42913 
42914  ! C --> H
42915  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
42916  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
42917  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
42918  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
42919  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
42920  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
42921  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
42922  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
42923  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
42924  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
42925  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
42926  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
42927  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
42928  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
42929  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
42930  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
42931  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
42932  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
42933  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
42934  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
42935  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
42936  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
42937  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
42938  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
42939  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
42940  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
42941  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
42942  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
42943  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
42944  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
42945  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
42946  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
42947  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
42948  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
42949  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
42950  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
42951  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
42952  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
42953  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
42954  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
42955  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
42956  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
42957  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
42958  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
42959  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
42960 
42961  ! H --> HH
42962  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
42963 
42964  c1 = 1.0_dp/(zeta + zetb)
42965  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
42966  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
42967 
42968  e_0_1_0 = zeta*( &
42969  +c2*e_0_0_0&
42970 
42971  )
42972  e_0_0_1 = zetb*( &
42973  +c3*e_0_0_0&
42974 
42975  )
42976  e_1_1_0 = zeta*( c1*e_0_0_0 &
42977 
42978 
42979  )
42980  e_1_0_1 = zetb*( c1*e_0_0_0 &
42981 
42982 
42983  )
42984  e_0_2_0 = zeta*( &
42985  +c2*e_0_1_0&
42986  +2*e_1_1_0 &
42987  -2*e_0_0_0)
42988  e_0_1_1 = zetb*( &
42989  +c3*e_0_1_0&
42990  +2*e_1_1_0 &
42991  )
42992  e_1_2_0 = zeta*( c1*e_0_1_0 &
42993  +c2*e_1_1_0&
42994 
42995  )
42996  e_1_1_1 = zetb*( c1*e_0_1_0 &
42997  +c3*e_1_1_0&
42998 
42999  )
43000  e_2_2_0 = zeta*( c1*e_1_1_0 &
43001 
43002 
43003  )
43004  e_2_1_1 = zetb*( c1*e_1_1_0 &
43005 
43006 
43007  )
43008  e_0_3_0 = zeta*( &
43009  +c2*e_0_2_0&
43010  +2*e_1_2_0 &
43011  -4*e_0_1_0)
43012  e_0_2_1 = zetb*( &
43013  +c3*e_0_2_0&
43014  +2*e_1_2_0 &
43015  )
43016  e_1_3_0 = zeta*( c1*e_0_2_0 &
43017  +c2*e_1_2_0&
43018  +4*e_2_2_0 &
43019  -4*e_1_1_0)
43020  e_1_2_1 = zetb*( c1*e_0_2_0 &
43021  +c3*e_1_2_0&
43022  +4*e_2_2_0 &
43023  )
43024  e_2_3_0 = zeta*( c1*e_1_2_0 &
43025  +c2*e_2_2_0&
43026 
43027  )
43028  e_2_2_1 = zetb*( c1*e_1_2_0 &
43029  +c3*e_2_2_0&
43030 
43031  )
43032  e_3_3_0 = zeta*( c1*e_2_2_0 &
43033 
43034 
43035  )
43036  e_3_2_1 = zetb*( c1*e_2_2_0 &
43037 
43038 
43039  )
43040  e_0_4_0 = zeta*( &
43041  +c2*e_0_3_0&
43042  +2*e_1_3_0 &
43043  -6*e_0_2_0)
43044  e_0_3_1 = zetb*( &
43045  +c3*e_0_3_0&
43046  +2*e_1_3_0 &
43047  )
43048  e_1_4_0 = zeta*( c1*e_0_3_0 &
43049  +c2*e_1_3_0&
43050  +4*e_2_3_0 &
43051  -6*e_1_2_0)
43052  e_1_3_1 = zetb*( c1*e_0_3_0 &
43053  +c3*e_1_3_0&
43054  +4*e_2_3_0 &
43055  )
43056  e_2_4_0 = zeta*( c1*e_1_3_0 &
43057  +c2*e_2_3_0&
43058  +6*e_3_3_0 &
43059  -6*e_2_2_0)
43060  e_2_3_1 = zetb*( c1*e_1_3_0 &
43061  +c3*e_2_3_0&
43062  +6*e_3_3_0 &
43063  )
43064  e_3_4_0 = zeta*( c1*e_2_3_0 &
43065  +c2*e_3_3_0&
43066 
43067  )
43068  e_3_3_1 = zetb*( c1*e_2_3_0 &
43069  +c3*e_3_3_0&
43070 
43071  )
43072  e_4_4_0 = zeta*( c1*e_3_3_0 &
43073 
43074 
43075  )
43076  e_4_3_1 = zetb*( c1*e_3_3_0 &
43077 
43078 
43079  )
43080  e_0_4_1 = zetb*( &
43081  +c3*e_0_4_0&
43082  +2*e_1_4_0 &
43083  )
43084  e_1_4_1 = zetb*( c1*e_0_4_0 &
43085  +c3*e_1_4_0&
43086  +4*e_2_4_0 &
43087  )
43088  e_2_4_1 = zetb*( c1*e_1_4_0 &
43089  +c3*e_2_4_0&
43090  +6*e_3_4_0 &
43091  )
43092  e_3_4_1 = zetb*( c1*e_2_4_0 &
43093  +c3*e_3_4_0&
43094  +8*e_4_4_0 &
43095  )
43096  e_4_4_1 = zetb*( c1*e_3_4_0 &
43097  +c3*e_4_4_0&
43098 
43099  )
43100  e_5_4_1 = zetb*( c1*e_4_4_0 &
43101 
43102 
43103  )
43104  e_0_1_1 = zeta*( &
43105  +c2*e_0_0_1&
43106  +2*e_1_0_1 &
43107  )
43108  e_1_1_1 = zeta*( c1*e_0_0_1 &
43109  +c2*e_1_0_1&
43110 
43111  )
43112  e_2_1_1 = zeta*( c1*e_1_0_1 &
43113 
43114 
43115  )
43116  e_0_2_1 = zeta*( &
43117  +c2*e_0_1_1&
43118  +2*e_1_1_1 &
43119  -2*e_0_0_1)
43120  e_1_2_1 = zeta*( c1*e_0_1_1 &
43121  +c2*e_1_1_1&
43122  +4*e_2_1_1 &
43123  -2*e_1_0_1)
43124  e_2_2_1 = zeta*( c1*e_1_1_1 &
43125  +c2*e_2_1_1&
43126 
43127  )
43128  e_3_2_1 = zeta*( c1*e_2_1_1 &
43129 
43130 
43131  )
43132  e_0_3_1 = zeta*( &
43133  +c2*e_0_2_1&
43134  +2*e_1_2_1 &
43135  -4*e_0_1_1)
43136  e_1_3_1 = zeta*( c1*e_0_2_1 &
43137  +c2*e_1_2_1&
43138  +4*e_2_2_1 &
43139  -4*e_1_1_1)
43140  e_2_3_1 = zeta*( c1*e_1_2_1 &
43141  +c2*e_2_2_1&
43142  +6*e_3_2_1 &
43143  -4*e_2_1_1)
43144  e_3_3_1 = zeta*( c1*e_2_2_1 &
43145  +c2*e_3_2_1&
43146 
43147  )
43148  e_4_3_1 = zeta*( c1*e_3_2_1 &
43149 
43150 
43151  )
43152  e_0_4_1 = zeta*( &
43153  +c2*e_0_3_1&
43154  +2*e_1_3_1 &
43155  -6*e_0_2_1)
43156  e_1_4_1 = zeta*( c1*e_0_3_1 &
43157  +c2*e_1_3_1&
43158  +4*e_2_3_1 &
43159  -6*e_1_2_1)
43160  e_2_4_1 = zeta*( c1*e_1_3_1 &
43161  +c2*e_2_3_1&
43162  +6*e_3_3_1 &
43163  -6*e_2_2_1)
43164  e_3_4_1 = zeta*( c1*e_2_3_1 &
43165  +c2*e_3_3_1&
43166  +8*e_4_3_1 &
43167  -6*e_3_2_1)
43168  e_4_4_1 = zeta*( c1*e_3_3_1 &
43169  +c2*e_4_3_1&
43170 
43171  )
43172  e_5_4_1 = zeta*( c1*e_4_3_1 &
43173 
43174 
43175  )
43176 
43177  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
43178  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
43179  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
43180  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
43181  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
43182  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
43183  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
43184  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
43185  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
43186  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
43187  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
43188  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
43189  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
43190  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
43191  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
43192  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
43193  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
43194  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
43195  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
43196  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
43197  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
43198  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
43199  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
43200  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
43201  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
43202  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
43203  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
43204  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
43205  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
43206  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
43207  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
43208  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
43209  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
43210  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
43211  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
43212  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
43213  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
43214  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
43215  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
43216  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
43217  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
43218  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
43219  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
43220  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
43221  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
43222  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
43223  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
43224  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
43225  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
43226  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
43227  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
43228  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
43229  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
43230  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
43231  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
43232  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
43233  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
43234  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
43235  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
43236  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
43237  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
43238  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
43239  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
43240  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
43241  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
43242  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
43243  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
43244  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
43245  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
43246  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
43247  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
43248  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
43249  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
43250  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
43251  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
43252  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
43253  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
43254  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
43255  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
43256  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
43257  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
43258  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
43259  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
43260  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
43261  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
43262  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
43263  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
43264  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
43265  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
43266  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
43267  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
43268  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
43269  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
43270  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
43271  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
43272  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
43273  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
43274  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
43275  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
43276  s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
43277  s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
43278  s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
43279  s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
43280  s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
43281  s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
43282  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
43283  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
43284  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
43285  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
43286  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
43287  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
43288  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
43289  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
43290  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
43291  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
43292  s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
43293  s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
43294  s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
43295  s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
43296  s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
43297  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
43298  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
43299  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
43300  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
43301  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
43302  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
43303  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
43304  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
43305  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
43306  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
43307  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
43308  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
43309  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
43310  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
43311  s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
43312  s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
43313  s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
43314  s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
43315  s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
43316  s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
43317  r1 = r1 + dr
43318  END DO
43319 
43320  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
43321  END SUBROUTINE
43322  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_1_4_exp_0 ( &
43323  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
43324  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
43325  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
43326  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
43327  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
43328  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
43329  r_pow_t, r_tmp, rr1_delta, rr2_delta
43330 
43331  REAL(kind=dp) :: c1, c2, c3
43332  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
43333  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
43334  & s_r_t2_9
43335  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
43336  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
43337  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
43338  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
43339  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
43340  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
43341  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
43342  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
43343  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1
43344 
43345 
43346  dr = lgth
43347  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
43348 
43349  s_r(:, :, :) = 0.0_dp
43350 
43351  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
43352 
43353  h_to_c_0_0 = sqrt(alpha/pi)
43354 
43355  h_to_c_0_1 = 0.0_dp
43356  h_to_c_1_1 = +2*alpha*h_to_c_0_0
43357  h_to_c_0_2 = -1*h_to_c_1_1
43358  h_to_c_1_2 = +2*alpha*h_to_c_0_1
43359  h_to_c_2_2 = +2*alpha*h_to_c_1_1
43360  h_to_c_0_3 = -1*h_to_c_1_2
43361  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
43362  h_to_c_2_3 = +2*alpha*h_to_c_1_2
43363  h_to_c_3_3 = +2*alpha*h_to_c_2_2
43364  h_to_c_0_4 = -1*h_to_c_1_3
43365  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
43366  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
43367  h_to_c_3_4 = +2*alpha*h_to_c_2_3
43368  h_to_c_4_4 = +2*alpha*h_to_c_3_3
43369  h_to_c_0_5 = -1*h_to_c_1_4
43370  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
43371  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
43372  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
43373  h_to_c_4_5 = +2*alpha*h_to_c_3_4
43374  h_to_c_5_5 = +2*alpha*h_to_c_4_4
43375  h_to_c_0_6 = -1*h_to_c_1_5
43376  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
43377  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
43378  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
43379  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
43380  h_to_c_5_6 = +2*alpha*h_to_c_4_5
43381  h_to_c_6_6 = +2*alpha*h_to_c_5_5
43382  h_to_c_0_7 = -1*h_to_c_1_6
43383  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
43384  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
43385  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
43386  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
43387  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
43388  h_to_c_6_7 = +2*alpha*h_to_c_5_6
43389  h_to_c_7_7 = +2*alpha*h_to_c_6_6
43390  h_to_c_0_8 = -1*h_to_c_1_7
43391  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
43392  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
43393  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
43394  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
43395  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
43396  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
43397  h_to_c_7_8 = +2*alpha*h_to_c_6_7
43398  h_to_c_8_8 = +2*alpha*h_to_c_7_7
43399  h_to_c_0_9 = -1*h_to_c_1_8
43400  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
43401  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
43402  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
43403  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
43404  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
43405  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
43406  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
43407  h_to_c_8_9 = +2*alpha*h_to_c_7_8
43408  h_to_c_9_9 = +2*alpha*h_to_c_8_8
43409 
43410 
43411  rr1_delta = (ra - rb)/dr
43412 
43413  rr1_l = ceiling(-r_c(1) + rr1_delta)
43414  rr1_r = floor(r_c(1) + rr1_delta)
43415 
43416  r1 = rr1_l*dr
43417 
43418  alpha_e = zeta*zetb/(zeta + zetb)
43419 
43420  DO rr1 = rr1_l, rr1_r
43421  s_r_t_0 = 0.0_dp
43422  s_r_t2_0 = 0.0_dp
43423  s_r_t_1 = 0.0_dp
43424  s_r_t2_1 = 0.0_dp
43425  s_r_t_2 = 0.0_dp
43426  s_r_t2_2 = 0.0_dp
43427  s_r_t_3 = 0.0_dp
43428  s_r_t2_3 = 0.0_dp
43429  s_r_t_4 = 0.0_dp
43430  s_r_t2_4 = 0.0_dp
43431  s_r_t_5 = 0.0_dp
43432  s_r_t2_5 = 0.0_dp
43433  s_r_t_6 = 0.0_dp
43434  s_r_t2_6 = 0.0_dp
43435  s_r_t_7 = 0.0_dp
43436  s_r_t2_7 = 0.0_dp
43437  s_r_t_8 = 0.0_dp
43438  s_r_t2_8 = 0.0_dp
43439  s_r_t_9 = 0.0_dp
43440  s_r_t2_9 = 0.0_dp
43441  r_tmp = r_offset + r1*zeta/(zeta + zetb)
43442  rr2_delta = -r_tmp/dr
43443 
43444  rr2_l = ceiling(-r_c(2) + rr2_delta)
43445  rr2_r = floor(r_c(2) + rr2_delta)
43446 
43447  r = r_tmp + (rr2_l)*dr
43448 
43449 
43450  DO rr2 = rr2_l, rr2_r
43451  r_pow_t = 1.0_dp
43452  exp2_rsq = exp(-alpha*r*r)
43453  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
43454  r_pow_t = r_pow_t*r
43455  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
43456  r_pow_t = r_pow_t*r
43457  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
43458  r_pow_t = r_pow_t*r
43459  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
43460  r_pow_t = r_pow_t*r
43461  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
43462  r_pow_t = r_pow_t*r
43463  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
43464  r_pow_t = r_pow_t*r
43465  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
43466  r_pow_t = r_pow_t*r
43467  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
43468  r_pow_t = r_pow_t*r
43469  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
43470  r_pow_t = r_pow_t*r
43471  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
43472 
43473  r = r + dr
43474  END DO
43475 
43476  ! C --> H
43477  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
43478  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
43479  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
43480  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
43481  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
43482  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
43483  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
43484  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
43485  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
43486  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
43487  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
43488  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
43489  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
43490  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
43491  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
43492  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
43493  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
43494  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
43495  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
43496  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
43497  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
43498  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
43499  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
43500  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
43501  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
43502  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
43503  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
43504  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
43505  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
43506  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
43507  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
43508  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
43509  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
43510  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
43511  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
43512  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
43513  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
43514  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
43515  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
43516  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
43517  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
43518  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
43519  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
43520  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
43521  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
43522  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
43523  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
43524  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
43525  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
43526  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
43527  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
43528  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
43529  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
43530  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
43531  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
43532 
43533  ! H --> HH
43534  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
43535 
43536  c1 = 1.0_dp/(zeta + zetb)
43537  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
43538  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
43539 
43540  e_0_1_0 = zeta*( &
43541  +c2*e_0_0_0&
43542 
43543  )
43544  e_0_0_1 = zetb*( &
43545  +c3*e_0_0_0&
43546 
43547  )
43548  e_1_1_0 = zeta*( c1*e_0_0_0 &
43549 
43550 
43551  )
43552  e_1_0_1 = zetb*( c1*e_0_0_0 &
43553 
43554 
43555  )
43556  e_0_2_0 = zeta*( &
43557  +c2*e_0_1_0&
43558  +2*e_1_1_0 &
43559  -2*e_0_0_0)
43560  e_0_1_1 = zetb*( &
43561  +c3*e_0_1_0&
43562  +2*e_1_1_0 &
43563  )
43564  e_1_2_0 = zeta*( c1*e_0_1_0 &
43565  +c2*e_1_1_0&
43566 
43567  )
43568  e_1_1_1 = zetb*( c1*e_0_1_0 &
43569  +c3*e_1_1_0&
43570 
43571  )
43572  e_2_2_0 = zeta*( c1*e_1_1_0 &
43573 
43574 
43575  )
43576  e_2_1_1 = zetb*( c1*e_1_1_0 &
43577 
43578 
43579  )
43580  e_0_3_0 = zeta*( &
43581  +c2*e_0_2_0&
43582  +2*e_1_2_0 &
43583  -4*e_0_1_0)
43584  e_0_2_1 = zetb*( &
43585  +c3*e_0_2_0&
43586  +2*e_1_2_0 &
43587  )
43588  e_1_3_0 = zeta*( c1*e_0_2_0 &
43589  +c2*e_1_2_0&
43590  +4*e_2_2_0 &
43591  -4*e_1_1_0)
43592  e_1_2_1 = zetb*( c1*e_0_2_0 &
43593  +c3*e_1_2_0&
43594  +4*e_2_2_0 &
43595  )
43596  e_2_3_0 = zeta*( c1*e_1_2_0 &
43597  +c2*e_2_2_0&
43598 
43599  )
43600  e_2_2_1 = zetb*( c1*e_1_2_0 &
43601  +c3*e_2_2_0&
43602 
43603  )
43604  e_3_3_0 = zeta*( c1*e_2_2_0 &
43605 
43606 
43607  )
43608  e_3_2_1 = zetb*( c1*e_2_2_0 &
43609 
43610 
43611  )
43612  e_0_4_0 = zeta*( &
43613  +c2*e_0_3_0&
43614  +2*e_1_3_0 &
43615  -6*e_0_2_0)
43616  e_0_3_1 = zetb*( &
43617  +c3*e_0_3_0&
43618  +2*e_1_3_0 &
43619  )
43620  e_1_4_0 = zeta*( c1*e_0_3_0 &
43621  +c2*e_1_3_0&
43622  +4*e_2_3_0 &
43623  -6*e_1_2_0)
43624  e_1_3_1 = zetb*( c1*e_0_3_0 &
43625  +c3*e_1_3_0&
43626  +4*e_2_3_0 &
43627  )
43628  e_2_4_0 = zeta*( c1*e_1_3_0 &
43629  +c2*e_2_3_0&
43630  +6*e_3_3_0 &
43631  -6*e_2_2_0)
43632  e_2_3_1 = zetb*( c1*e_1_3_0 &
43633  +c3*e_2_3_0&
43634  +6*e_3_3_0 &
43635  )
43636  e_3_4_0 = zeta*( c1*e_2_3_0 &
43637  +c2*e_3_3_0&
43638 
43639  )
43640  e_3_3_1 = zetb*( c1*e_2_3_0 &
43641  +c3*e_3_3_0&
43642 
43643  )
43644  e_4_4_0 = zeta*( c1*e_3_3_0 &
43645 
43646 
43647  )
43648  e_4_3_1 = zetb*( c1*e_3_3_0 &
43649 
43650 
43651  )
43652  e_0_4_1 = zetb*( &
43653  +c3*e_0_4_0&
43654  +2*e_1_4_0 &
43655  )
43656  e_1_4_1 = zetb*( c1*e_0_4_0 &
43657  +c3*e_1_4_0&
43658  +4*e_2_4_0 &
43659  )
43660  e_2_4_1 = zetb*( c1*e_1_4_0 &
43661  +c3*e_2_4_0&
43662  +6*e_3_4_0 &
43663  )
43664  e_3_4_1 = zetb*( c1*e_2_4_0 &
43665  +c3*e_3_4_0&
43666  +8*e_4_4_0 &
43667  )
43668  e_4_4_1 = zetb*( c1*e_3_4_0 &
43669  +c3*e_4_4_0&
43670 
43671  )
43672  e_5_4_1 = zetb*( c1*e_4_4_0 &
43673 
43674 
43675  )
43676  e_0_1_1 = zeta*( &
43677  +c2*e_0_0_1&
43678  +2*e_1_0_1 &
43679  )
43680  e_1_1_1 = zeta*( c1*e_0_0_1 &
43681  +c2*e_1_0_1&
43682 
43683  )
43684  e_2_1_1 = zeta*( c1*e_1_0_1 &
43685 
43686 
43687  )
43688  e_0_2_1 = zeta*( &
43689  +c2*e_0_1_1&
43690  +2*e_1_1_1 &
43691  -2*e_0_0_1)
43692  e_1_2_1 = zeta*( c1*e_0_1_1 &
43693  +c2*e_1_1_1&
43694  +4*e_2_1_1 &
43695  -2*e_1_0_1)
43696  e_2_2_1 = zeta*( c1*e_1_1_1 &
43697  +c2*e_2_1_1&
43698 
43699  )
43700  e_3_2_1 = zeta*( c1*e_2_1_1 &
43701 
43702 
43703  )
43704  e_0_3_1 = zeta*( &
43705  +c2*e_0_2_1&
43706  +2*e_1_2_1 &
43707  -4*e_0_1_1)
43708  e_1_3_1 = zeta*( c1*e_0_2_1 &
43709  +c2*e_1_2_1&
43710  +4*e_2_2_1 &
43711  -4*e_1_1_1)
43712  e_2_3_1 = zeta*( c1*e_1_2_1 &
43713  +c2*e_2_2_1&
43714  +6*e_3_2_1 &
43715  -4*e_2_1_1)
43716  e_3_3_1 = zeta*( c1*e_2_2_1 &
43717  +c2*e_3_2_1&
43718 
43719  )
43720  e_4_3_1 = zeta*( c1*e_3_2_1 &
43721 
43722 
43723  )
43724  e_0_4_1 = zeta*( &
43725  +c2*e_0_3_1&
43726  +2*e_1_3_1 &
43727  -6*e_0_2_1)
43728  e_1_4_1 = zeta*( c1*e_0_3_1 &
43729  +c2*e_1_3_1&
43730  +4*e_2_3_1 &
43731  -6*e_1_2_1)
43732  e_2_4_1 = zeta*( c1*e_1_3_1 &
43733  +c2*e_2_3_1&
43734  +6*e_3_3_1 &
43735  -6*e_2_2_1)
43736  e_3_4_1 = zeta*( c1*e_2_3_1 &
43737  +c2*e_3_3_1&
43738  +8*e_4_3_1 &
43739  -6*e_3_2_1)
43740  e_4_4_1 = zeta*( c1*e_3_3_1 &
43741  +c2*e_4_3_1&
43742 
43743  )
43744  e_5_4_1 = zeta*( c1*e_4_3_1 &
43745 
43746 
43747  )
43748 
43749  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
43750  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
43751  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
43752  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
43753  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
43754  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
43755  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
43756  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
43757  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
43758  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
43759  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
43760  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
43761  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
43762  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
43763  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
43764  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
43765  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
43766  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
43767  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
43768  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
43769  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
43770  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
43771  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
43772  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
43773  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
43774  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
43775  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
43776  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
43777  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
43778  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
43779  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
43780  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
43781  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
43782  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
43783  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
43784  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
43785  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
43786  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
43787  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
43788  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
43789  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
43790  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
43791  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
43792  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
43793  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
43794  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
43795  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
43796  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
43797  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
43798  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
43799  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
43800  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
43801  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
43802  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
43803  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
43804  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
43805  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
43806  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
43807  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
43808  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
43809  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
43810  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
43811  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
43812  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
43813  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
43814  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
43815  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
43816  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
43817  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
43818  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
43819  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
43820  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
43821  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
43822  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
43823  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
43824  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
43825  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
43826  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
43827  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
43828  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
43829  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
43830  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
43831  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
43832  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
43833  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
43834  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
43835  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
43836  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
43837  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
43838  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
43839  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
43840  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
43841  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
43842  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
43843  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
43844  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
43845  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
43846  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
43847  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
43848  s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
43849  s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
43850  s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
43851  s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
43852  s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
43853  s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
43854  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
43855  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
43856  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
43857  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
43858  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
43859  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
43860  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
43861  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
43862  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
43863  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
43864  s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
43865  s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
43866  s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
43867  s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
43868  s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
43869  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
43870  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
43871  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
43872  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
43873  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
43874  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
43875  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
43876  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
43877  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
43878  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
43879  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
43880  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
43881  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
43882  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
43883  s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
43884  s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
43885  s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
43886  s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
43887  s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
43888  s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
43889  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
43890  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
43891  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
43892  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
43893  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
43894  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
43895  s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
43896  s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
43897  s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
43898  s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
43899  s_r(4, 0, 4) = s_r(4, 0, 4) + e_0_4_0*(1)*s_r_t2_4 ! cost: 5 flops
43900  s_r(4, 0, 4) = s_r(4, 0, 4) + e_1_4_0*(1)*s_r_t2_5 ! cost: 5 flops
43901  s_r(4, 0, 4) = s_r(4, 0, 4) + e_2_4_0*(1)*s_r_t2_6 ! cost: 5 flops
43902  s_r(4, 0, 4) = s_r(4, 0, 4) + e_3_4_0*(1)*s_r_t2_7 ! cost: 5 flops
43903  s_r(4, 0, 4) = s_r(4, 0, 4) + e_4_4_0*(1)*s_r_t2_8 ! cost: 5 flops
43904  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
43905  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
43906  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
43907  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
43908  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
43909  s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
43910  s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
43911  s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
43912  s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
43913  s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
43914  s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
43915  s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
43916  s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
43917  s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
43918  s_r(4, 1, 4) = s_r(4, 1, 4) + e_0_4_1*(1)*s_r_t2_4 ! cost: 5 flops
43919  s_r(4, 1, 4) = s_r(4, 1, 4) + e_1_4_1*(1)*s_r_t2_5 ! cost: 5 flops
43920  s_r(4, 1, 4) = s_r(4, 1, 4) + e_2_4_1*(1)*s_r_t2_6 ! cost: 5 flops
43921  s_r(4, 1, 4) = s_r(4, 1, 4) + e_3_4_1*(1)*s_r_t2_7 ! cost: 5 flops
43922  s_r(4, 1, 4) = s_r(4, 1, 4) + e_4_4_1*(1)*s_r_t2_8 ! cost: 5 flops
43923  s_r(4, 1, 4) = s_r(4, 1, 4) + e_5_4_1*(1)*s_r_t2_9 ! cost: 5 flops
43924  r1 = r1 + dr
43925  END DO
43926 
43927  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
43928  END SUBROUTINE
43929  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_2_0_exp_0 ( &
43930  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
43931  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
43932  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
43933  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
43934  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
43935  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
43936  r_pow_t, r_tmp, rr1_delta, rr2_delta
43937 
43938  REAL(kind=dp) :: c1, c2, c3
43939  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
43940  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
43941  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
43942  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
43943  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
43944  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
43945  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
43946  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
43947  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
43948  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2
43949 
43950 
43951  dr = lgth
43952  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
43953 
43954  s_r(:, :, :) = 0.0_dp
43955 
43956  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
43957 
43958  h_to_c_0_0 = sqrt(alpha/pi)
43959 
43960  h_to_c_0_1 = 0.0_dp
43961  h_to_c_1_1 = +2*alpha*h_to_c_0_0
43962  h_to_c_0_2 = -1*h_to_c_1_1
43963  h_to_c_1_2 = +2*alpha*h_to_c_0_1
43964  h_to_c_2_2 = +2*alpha*h_to_c_1_1
43965  h_to_c_0_3 = -1*h_to_c_1_2
43966  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
43967  h_to_c_2_3 = +2*alpha*h_to_c_1_2
43968  h_to_c_3_3 = +2*alpha*h_to_c_2_2
43969  h_to_c_0_4 = -1*h_to_c_1_3
43970  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
43971  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
43972  h_to_c_3_4 = +2*alpha*h_to_c_2_3
43973  h_to_c_4_4 = +2*alpha*h_to_c_3_3
43974  h_to_c_0_5 = -1*h_to_c_1_4
43975  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
43976  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
43977  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
43978  h_to_c_4_5 = +2*alpha*h_to_c_3_4
43979  h_to_c_5_5 = +2*alpha*h_to_c_4_4
43980  h_to_c_0_6 = -1*h_to_c_1_5
43981  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
43982  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
43983  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
43984  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
43985  h_to_c_5_6 = +2*alpha*h_to_c_4_5
43986  h_to_c_6_6 = +2*alpha*h_to_c_5_5
43987 
43988 
43989  rr1_delta = (ra - rb)/dr
43990 
43991  rr1_l = ceiling(-r_c(1) + rr1_delta)
43992  rr1_r = floor(r_c(1) + rr1_delta)
43993 
43994  r1 = rr1_l*dr
43995 
43996  alpha_e = zeta*zetb/(zeta + zetb)
43997 
43998  DO rr1 = rr1_l, rr1_r
43999  s_r_t_0 = 0.0_dp
44000  s_r_t2_0 = 0.0_dp
44001  s_r_t_1 = 0.0_dp
44002  s_r_t2_1 = 0.0_dp
44003  s_r_t_2 = 0.0_dp
44004  s_r_t2_2 = 0.0_dp
44005  s_r_t_3 = 0.0_dp
44006  s_r_t2_3 = 0.0_dp
44007  s_r_t_4 = 0.0_dp
44008  s_r_t2_4 = 0.0_dp
44009  s_r_t_5 = 0.0_dp
44010  s_r_t2_5 = 0.0_dp
44011  s_r_t_6 = 0.0_dp
44012  s_r_t2_6 = 0.0_dp
44013  r_tmp = r_offset + r1*zeta/(zeta + zetb)
44014  rr2_delta = -r_tmp/dr
44015 
44016  rr2_l = ceiling(-r_c(2) + rr2_delta)
44017  rr2_r = floor(r_c(2) + rr2_delta)
44018 
44019  r = r_tmp + (rr2_l)*dr
44020 
44021 
44022  DO rr2 = rr2_l, rr2_r
44023  r_pow_t = 1.0_dp
44024  exp2_rsq = exp(-alpha*r*r)
44025  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
44026  r_pow_t = r_pow_t*r
44027  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
44028  r_pow_t = r_pow_t*r
44029  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
44030  r_pow_t = r_pow_t*r
44031  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
44032  r_pow_t = r_pow_t*r
44033  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
44034  r_pow_t = r_pow_t*r
44035  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
44036  r_pow_t = r_pow_t*r
44037  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
44038 
44039  r = r + dr
44040  END DO
44041 
44042  ! C --> H
44043  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
44044  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
44045  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
44046  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
44047  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
44048  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
44049  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
44050  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
44051  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
44052  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
44053  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
44054  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
44055  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
44056  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
44057  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
44058  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
44059  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
44060  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
44061  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
44062  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
44063  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
44064  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
44065  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
44066  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
44067  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
44068  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
44069  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
44070  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
44071 
44072  ! H --> HH
44073  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
44074 
44075  c1 = 1.0_dp/(zeta + zetb)
44076  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
44077  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
44078 
44079  e_0_1_0 = zeta*( &
44080  +c2*e_0_0_0&
44081 
44082  )
44083  e_0_0_1 = zetb*( &
44084  +c3*e_0_0_0&
44085 
44086  )
44087  e_1_1_0 = zeta*( c1*e_0_0_0 &
44088 
44089 
44090  )
44091  e_1_0_1 = zetb*( c1*e_0_0_0 &
44092 
44093 
44094  )
44095  e_0_2_0 = zeta*( &
44096  +c2*e_0_1_0&
44097  +2*e_1_1_0 &
44098  -2*e_0_0_0)
44099  e_0_1_1 = zetb*( &
44100  +c3*e_0_1_0&
44101  +2*e_1_1_0 &
44102  )
44103  e_1_2_0 = zeta*( c1*e_0_1_0 &
44104  +c2*e_1_1_0&
44105 
44106  )
44107  e_1_1_1 = zetb*( c1*e_0_1_0 &
44108  +c3*e_1_1_0&
44109 
44110  )
44111  e_2_2_0 = zeta*( c1*e_1_1_0 &
44112 
44113 
44114  )
44115  e_2_1_1 = zetb*( c1*e_1_1_0 &
44116 
44117 
44118  )
44119  e_0_3_0 = zeta*( &
44120  +c2*e_0_2_0&
44121  +2*e_1_2_0 &
44122  -4*e_0_1_0)
44123  e_0_2_1 = zetb*( &
44124  +c3*e_0_2_0&
44125  +2*e_1_2_0 &
44126  )
44127  e_1_3_0 = zeta*( c1*e_0_2_0 &
44128  +c2*e_1_2_0&
44129  +4*e_2_2_0 &
44130  -4*e_1_1_0)
44131  e_1_2_1 = zetb*( c1*e_0_2_0 &
44132  +c3*e_1_2_0&
44133  +4*e_2_2_0 &
44134  )
44135  e_2_3_0 = zeta*( c1*e_1_2_0 &
44136  +c2*e_2_2_0&
44137 
44138  )
44139  e_2_2_1 = zetb*( c1*e_1_2_0 &
44140  +c3*e_2_2_0&
44141 
44142  )
44143  e_3_3_0 = zeta*( c1*e_2_2_0 &
44144 
44145 
44146  )
44147  e_3_2_1 = zetb*( c1*e_2_2_0 &
44148 
44149 
44150  )
44151  e_0_4_0 = zeta*( &
44152  +c2*e_0_3_0&
44153  +2*e_1_3_0 &
44154  -6*e_0_2_0)
44155  e_0_3_1 = zetb*( &
44156  +c3*e_0_3_0&
44157  +2*e_1_3_0 &
44158  )
44159  e_1_4_0 = zeta*( c1*e_0_3_0 &
44160  +c2*e_1_3_0&
44161  +4*e_2_3_0 &
44162  -6*e_1_2_0)
44163  e_1_3_1 = zetb*( c1*e_0_3_0 &
44164  +c3*e_1_3_0&
44165  +4*e_2_3_0 &
44166  )
44167  e_2_4_0 = zeta*( c1*e_1_3_0 &
44168  +c2*e_2_3_0&
44169  +6*e_3_3_0 &
44170  -6*e_2_2_0)
44171  e_2_3_1 = zetb*( c1*e_1_3_0 &
44172  +c3*e_2_3_0&
44173  +6*e_3_3_0 &
44174  )
44175  e_3_4_0 = zeta*( c1*e_2_3_0 &
44176  +c2*e_3_3_0&
44177 
44178  )
44179  e_3_3_1 = zetb*( c1*e_2_3_0 &
44180  +c3*e_3_3_0&
44181 
44182  )
44183  e_4_4_0 = zeta*( c1*e_3_3_0 &
44184 
44185 
44186  )
44187  e_4_3_1 = zetb*( c1*e_3_3_0 &
44188 
44189 
44190  )
44191  e_0_4_1 = zetb*( &
44192  +c3*e_0_4_0&
44193  +2*e_1_4_0 &
44194  )
44195  e_1_4_1 = zetb*( c1*e_0_4_0 &
44196  +c3*e_1_4_0&
44197  +4*e_2_4_0 &
44198  )
44199  e_2_4_1 = zetb*( c1*e_1_4_0 &
44200  +c3*e_2_4_0&
44201  +6*e_3_4_0 &
44202  )
44203  e_3_4_1 = zetb*( c1*e_2_4_0 &
44204  +c3*e_3_4_0&
44205  +8*e_4_4_0 &
44206  )
44207  e_4_4_1 = zetb*( c1*e_3_4_0 &
44208  +c3*e_4_4_0&
44209 
44210  )
44211  e_5_4_1 = zetb*( c1*e_4_4_0 &
44212 
44213 
44214  )
44215  e_0_1_1 = zeta*( &
44216  +c2*e_0_0_1&
44217  +2*e_1_0_1 &
44218  )
44219  e_0_0_2 = zetb*( &
44220  +c3*e_0_0_1&
44221  +2*e_1_0_1 &
44222  -2*e_0_0_0)
44223  e_1_1_1 = zeta*( c1*e_0_0_1 &
44224  +c2*e_1_0_1&
44225 
44226  )
44227  e_1_0_2 = zetb*( c1*e_0_0_1 &
44228  +c3*e_1_0_1&
44229 
44230  )
44231  e_2_1_1 = zeta*( c1*e_1_0_1 &
44232 
44233 
44234  )
44235  e_2_0_2 = zetb*( c1*e_1_0_1 &
44236 
44237 
44238  )
44239  e_0_2_1 = zeta*( &
44240  +c2*e_0_1_1&
44241  +2*e_1_1_1 &
44242  -2*e_0_0_1)
44243  e_0_1_2 = zetb*( &
44244  +c3*e_0_1_1&
44245  +2*e_1_1_1 &
44246  -2*e_0_1_0)
44247  e_1_2_1 = zeta*( c1*e_0_1_1 &
44248  +c2*e_1_1_1&
44249  +4*e_2_1_1 &
44250  -2*e_1_0_1)
44251  e_1_1_2 = zetb*( c1*e_0_1_1 &
44252  +c3*e_1_1_1&
44253  +4*e_2_1_1 &
44254  -2*e_1_1_0)
44255  e_2_2_1 = zeta*( c1*e_1_1_1 &
44256  +c2*e_2_1_1&
44257 
44258  )
44259  e_2_1_2 = zetb*( c1*e_1_1_1 &
44260  +c3*e_2_1_1&
44261 
44262  )
44263  e_3_2_1 = zeta*( c1*e_2_1_1 &
44264 
44265 
44266  )
44267  e_3_1_2 = zetb*( c1*e_2_1_1 &
44268 
44269 
44270  )
44271  e_0_3_1 = zeta*( &
44272  +c2*e_0_2_1&
44273  +2*e_1_2_1 &
44274  -4*e_0_1_1)
44275  e_0_2_2 = zetb*( &
44276  +c3*e_0_2_1&
44277  +2*e_1_2_1 &
44278  -2*e_0_2_0)
44279  e_1_3_1 = zeta*( c1*e_0_2_1 &
44280  +c2*e_1_2_1&
44281  +4*e_2_2_1 &
44282  -4*e_1_1_1)
44283  e_1_2_2 = zetb*( c1*e_0_2_1 &
44284  +c3*e_1_2_1&
44285  +4*e_2_2_1 &
44286  -2*e_1_2_0)
44287  e_2_3_1 = zeta*( c1*e_1_2_1 &
44288  +c2*e_2_2_1&
44289  +6*e_3_2_1 &
44290  -4*e_2_1_1)
44291  e_2_2_2 = zetb*( c1*e_1_2_1 &
44292  +c3*e_2_2_1&
44293  +6*e_3_2_1 &
44294  -2*e_2_2_0)
44295  e_3_3_1 = zeta*( c1*e_2_2_1 &
44296  +c2*e_3_2_1&
44297 
44298  )
44299  e_3_2_2 = zetb*( c1*e_2_2_1 &
44300  +c3*e_3_2_1&
44301 
44302  )
44303  e_4_3_1 = zeta*( c1*e_3_2_1 &
44304 
44305 
44306  )
44307  e_4_2_2 = zetb*( c1*e_3_2_1 &
44308 
44309 
44310  )
44311  e_0_4_1 = zeta*( &
44312  +c2*e_0_3_1&
44313  +2*e_1_3_1 &
44314  -6*e_0_2_1)
44315  e_0_3_2 = zetb*( &
44316  +c3*e_0_3_1&
44317  +2*e_1_3_1 &
44318  -2*e_0_3_0)
44319  e_1_4_1 = zeta*( c1*e_0_3_1 &
44320  +c2*e_1_3_1&
44321  +4*e_2_3_1 &
44322  -6*e_1_2_1)
44323  e_1_3_2 = zetb*( c1*e_0_3_1 &
44324  +c3*e_1_3_1&
44325  +4*e_2_3_1 &
44326  -2*e_1_3_0)
44327  e_2_4_1 = zeta*( c1*e_1_3_1 &
44328  +c2*e_2_3_1&
44329  +6*e_3_3_1 &
44330  -6*e_2_2_1)
44331  e_2_3_2 = zetb*( c1*e_1_3_1 &
44332  +c3*e_2_3_1&
44333  +6*e_3_3_1 &
44334  -2*e_2_3_0)
44335  e_3_4_1 = zeta*( c1*e_2_3_1 &
44336  +c2*e_3_3_1&
44337  +8*e_4_3_1 &
44338  -6*e_3_2_1)
44339  e_3_3_2 = zetb*( c1*e_2_3_1 &
44340  +c3*e_3_3_1&
44341  +8*e_4_3_1 &
44342  -2*e_3_3_0)
44343  e_4_4_1 = zeta*( c1*e_3_3_1 &
44344  +c2*e_4_3_1&
44345 
44346  )
44347  e_4_3_2 = zetb*( c1*e_3_3_1 &
44348  +c3*e_4_3_1&
44349 
44350  )
44351  e_5_4_1 = zeta*( c1*e_4_3_1 &
44352 
44353 
44354  )
44355  e_5_3_2 = zetb*( c1*e_4_3_1 &
44356 
44357 
44358  )
44359  e_0_4_2 = zetb*( &
44360  +c3*e_0_4_1&
44361  +2*e_1_4_1 &
44362  -2*e_0_4_0)
44363  e_1_4_2 = zetb*( c1*e_0_4_1 &
44364  +c3*e_1_4_1&
44365  +4*e_2_4_1 &
44366  -2*e_1_4_0)
44367  e_2_4_2 = zetb*( c1*e_1_4_1 &
44368  +c3*e_2_4_1&
44369  +6*e_3_4_1 &
44370  -2*e_2_4_0)
44371  e_3_4_2 = zetb*( c1*e_2_4_1 &
44372  +c3*e_3_4_1&
44373  +8*e_4_4_1 &
44374  -2*e_3_4_0)
44375  e_4_4_2 = zetb*( c1*e_3_4_1 &
44376  +c3*e_4_4_1&
44377  +10*e_5_4_1 &
44378  -2*e_4_4_0)
44379  e_5_4_2 = zetb*( c1*e_4_4_1 &
44380  +c3*e_5_4_1&
44381 
44382  )
44383  e_6_4_2 = zetb*( c1*e_5_4_1 &
44384 
44385 
44386  )
44387  e_0_1_2 = zeta*( &
44388  +c2*e_0_0_2&
44389  +2*e_1_0_2 &
44390  )
44391  e_1_1_2 = zeta*( c1*e_0_0_2 &
44392  +c2*e_1_0_2&
44393  +4*e_2_0_2 &
44394  )
44395  e_2_1_2 = zeta*( c1*e_1_0_2 &
44396  +c2*e_2_0_2&
44397 
44398  )
44399  e_3_1_2 = zeta*( c1*e_2_0_2 &
44400 
44401 
44402  )
44403  e_0_2_2 = zeta*( &
44404  +c2*e_0_1_2&
44405  +2*e_1_1_2 &
44406  -2*e_0_0_2)
44407  e_1_2_2 = zeta*( c1*e_0_1_2 &
44408  +c2*e_1_1_2&
44409  +4*e_2_1_2 &
44410  -2*e_1_0_2)
44411  e_2_2_2 = zeta*( c1*e_1_1_2 &
44412  +c2*e_2_1_2&
44413  +6*e_3_1_2 &
44414  -2*e_2_0_2)
44415  e_3_2_2 = zeta*( c1*e_2_1_2 &
44416  +c2*e_3_1_2&
44417 
44418  )
44419  e_4_2_2 = zeta*( c1*e_3_1_2 &
44420 
44421 
44422  )
44423  e_0_3_2 = zeta*( &
44424  +c2*e_0_2_2&
44425  +2*e_1_2_2 &
44426  -4*e_0_1_2)
44427  e_1_3_2 = zeta*( c1*e_0_2_2 &
44428  +c2*e_1_2_2&
44429  +4*e_2_2_2 &
44430  -4*e_1_1_2)
44431  e_2_3_2 = zeta*( c1*e_1_2_2 &
44432  +c2*e_2_2_2&
44433  +6*e_3_2_2 &
44434  -4*e_2_1_2)
44435  e_3_3_2 = zeta*( c1*e_2_2_2 &
44436  +c2*e_3_2_2&
44437  +8*e_4_2_2 &
44438  -4*e_3_1_2)
44439  e_4_3_2 = zeta*( c1*e_3_2_2 &
44440  +c2*e_4_2_2&
44441 
44442  )
44443  e_5_3_2 = zeta*( c1*e_4_2_2 &
44444 
44445 
44446  )
44447  e_0_4_2 = zeta*( &
44448  +c2*e_0_3_2&
44449  +2*e_1_3_2 &
44450  -6*e_0_2_2)
44451  e_1_4_2 = zeta*( c1*e_0_3_2 &
44452  +c2*e_1_3_2&
44453  +4*e_2_3_2 &
44454  -6*e_1_2_2)
44455  e_2_4_2 = zeta*( c1*e_1_3_2 &
44456  +c2*e_2_3_2&
44457  +6*e_3_3_2 &
44458  -6*e_2_2_2)
44459  e_3_4_2 = zeta*( c1*e_2_3_2 &
44460  +c2*e_3_3_2&
44461  +8*e_4_3_2 &
44462  -6*e_3_2_2)
44463  e_4_4_2 = zeta*( c1*e_3_3_2 &
44464  +c2*e_4_3_2&
44465  +10*e_5_3_2 &
44466  -6*e_4_2_2)
44467  e_5_4_2 = zeta*( c1*e_4_3_2 &
44468  +c2*e_5_3_2&
44469 
44470  )
44471  e_6_4_2 = zeta*( c1*e_5_3_2 &
44472 
44473 
44474  )
44475 
44476  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
44477  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
44478  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
44479  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
44480  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
44481  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
44482  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
44483  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
44484  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
44485  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
44486  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
44487  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
44488  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
44489  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
44490  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
44491  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
44492  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
44493  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
44494  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
44495  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
44496  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
44497  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
44498  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
44499  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
44500  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
44501  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
44502  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
44503  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
44504  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
44505  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
44506  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
44507  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
44508  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
44509  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
44510  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
44511  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
44512  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
44513  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
44514  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
44515  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
44516  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
44517  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
44518  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
44519  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
44520  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
44521  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
44522  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
44523  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
44524  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
44525  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
44526  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
44527  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
44528  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
44529  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
44530  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
44531  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
44532  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
44533  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
44534  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
44535  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
44536  r1 = r1 + dr
44537  END DO
44538 
44539  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
44540  END SUBROUTINE
44541  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_2_1_exp_0 ( &
44542  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
44543  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
44544  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
44545  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
44546  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
44547  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
44548  r_pow_t, r_tmp, rr1_delta, rr2_delta
44549 
44550  REAL(kind=dp) :: c1, c2, c3
44551  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
44552  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
44553  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
44554  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
44555  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
44556  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
44557  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
44558  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
44559  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
44560  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
44561  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2
44562 
44563 
44564  dr = lgth
44565  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
44566 
44567  s_r(:, :, :) = 0.0_dp
44568 
44569  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
44570 
44571  h_to_c_0_0 = sqrt(alpha/pi)
44572 
44573  h_to_c_0_1 = 0.0_dp
44574  h_to_c_1_1 = +2*alpha*h_to_c_0_0
44575  h_to_c_0_2 = -1*h_to_c_1_1
44576  h_to_c_1_2 = +2*alpha*h_to_c_0_1
44577  h_to_c_2_2 = +2*alpha*h_to_c_1_1
44578  h_to_c_0_3 = -1*h_to_c_1_2
44579  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
44580  h_to_c_2_3 = +2*alpha*h_to_c_1_2
44581  h_to_c_3_3 = +2*alpha*h_to_c_2_2
44582  h_to_c_0_4 = -1*h_to_c_1_3
44583  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
44584  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
44585  h_to_c_3_4 = +2*alpha*h_to_c_2_3
44586  h_to_c_4_4 = +2*alpha*h_to_c_3_3
44587  h_to_c_0_5 = -1*h_to_c_1_4
44588  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
44589  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
44590  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
44591  h_to_c_4_5 = +2*alpha*h_to_c_3_4
44592  h_to_c_5_5 = +2*alpha*h_to_c_4_4
44593  h_to_c_0_6 = -1*h_to_c_1_5
44594  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
44595  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
44596  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
44597  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
44598  h_to_c_5_6 = +2*alpha*h_to_c_4_5
44599  h_to_c_6_6 = +2*alpha*h_to_c_5_5
44600  h_to_c_0_7 = -1*h_to_c_1_6
44601  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
44602  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
44603  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
44604  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
44605  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
44606  h_to_c_6_7 = +2*alpha*h_to_c_5_6
44607  h_to_c_7_7 = +2*alpha*h_to_c_6_6
44608 
44609 
44610  rr1_delta = (ra - rb)/dr
44611 
44612  rr1_l = ceiling(-r_c(1) + rr1_delta)
44613  rr1_r = floor(r_c(1) + rr1_delta)
44614 
44615  r1 = rr1_l*dr
44616 
44617  alpha_e = zeta*zetb/(zeta + zetb)
44618 
44619  DO rr1 = rr1_l, rr1_r
44620  s_r_t_0 = 0.0_dp
44621  s_r_t2_0 = 0.0_dp
44622  s_r_t_1 = 0.0_dp
44623  s_r_t2_1 = 0.0_dp
44624  s_r_t_2 = 0.0_dp
44625  s_r_t2_2 = 0.0_dp
44626  s_r_t_3 = 0.0_dp
44627  s_r_t2_3 = 0.0_dp
44628  s_r_t_4 = 0.0_dp
44629  s_r_t2_4 = 0.0_dp
44630  s_r_t_5 = 0.0_dp
44631  s_r_t2_5 = 0.0_dp
44632  s_r_t_6 = 0.0_dp
44633  s_r_t2_6 = 0.0_dp
44634  s_r_t_7 = 0.0_dp
44635  s_r_t2_7 = 0.0_dp
44636  r_tmp = r_offset + r1*zeta/(zeta + zetb)
44637  rr2_delta = -r_tmp/dr
44638 
44639  rr2_l = ceiling(-r_c(2) + rr2_delta)
44640  rr2_r = floor(r_c(2) + rr2_delta)
44641 
44642  r = r_tmp + (rr2_l)*dr
44643 
44644 
44645  DO rr2 = rr2_l, rr2_r
44646  r_pow_t = 1.0_dp
44647  exp2_rsq = exp(-alpha*r*r)
44648  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
44649  r_pow_t = r_pow_t*r
44650  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
44651  r_pow_t = r_pow_t*r
44652  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
44653  r_pow_t = r_pow_t*r
44654  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
44655  r_pow_t = r_pow_t*r
44656  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
44657  r_pow_t = r_pow_t*r
44658  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
44659  r_pow_t = r_pow_t*r
44660  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
44661  r_pow_t = r_pow_t*r
44662  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
44663 
44664  r = r + dr
44665  END DO
44666 
44667  ! C --> H
44668  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
44669  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
44670  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
44671  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
44672  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
44673  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
44674  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
44675  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
44676  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
44677  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
44678  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
44679  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
44680  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
44681  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
44682  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
44683  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
44684  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
44685  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
44686  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
44687  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
44688  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
44689  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
44690  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
44691  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
44692  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
44693  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
44694  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
44695  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
44696  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
44697  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
44698  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
44699  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
44700  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
44701  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
44702  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
44703  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
44704 
44705  ! H --> HH
44706  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
44707 
44708  c1 = 1.0_dp/(zeta + zetb)
44709  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
44710  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
44711 
44712  e_0_1_0 = zeta*( &
44713  +c2*e_0_0_0&
44714 
44715  )
44716  e_0_0_1 = zetb*( &
44717  +c3*e_0_0_0&
44718 
44719  )
44720  e_1_1_0 = zeta*( c1*e_0_0_0 &
44721 
44722 
44723  )
44724  e_1_0_1 = zetb*( c1*e_0_0_0 &
44725 
44726 
44727  )
44728  e_0_2_0 = zeta*( &
44729  +c2*e_0_1_0&
44730  +2*e_1_1_0 &
44731  -2*e_0_0_0)
44732  e_0_1_1 = zetb*( &
44733  +c3*e_0_1_0&
44734  +2*e_1_1_0 &
44735  )
44736  e_1_2_0 = zeta*( c1*e_0_1_0 &
44737  +c2*e_1_1_0&
44738 
44739  )
44740  e_1_1_1 = zetb*( c1*e_0_1_0 &
44741  +c3*e_1_1_0&
44742 
44743  )
44744  e_2_2_0 = zeta*( c1*e_1_1_0 &
44745 
44746 
44747  )
44748  e_2_1_1 = zetb*( c1*e_1_1_0 &
44749 
44750 
44751  )
44752  e_0_3_0 = zeta*( &
44753  +c2*e_0_2_0&
44754  +2*e_1_2_0 &
44755  -4*e_0_1_0)
44756  e_0_2_1 = zetb*( &
44757  +c3*e_0_2_0&
44758  +2*e_1_2_0 &
44759  )
44760  e_1_3_0 = zeta*( c1*e_0_2_0 &
44761  +c2*e_1_2_0&
44762  +4*e_2_2_0 &
44763  -4*e_1_1_0)
44764  e_1_2_1 = zetb*( c1*e_0_2_0 &
44765  +c3*e_1_2_0&
44766  +4*e_2_2_0 &
44767  )
44768  e_2_3_0 = zeta*( c1*e_1_2_0 &
44769  +c2*e_2_2_0&
44770 
44771  )
44772  e_2_2_1 = zetb*( c1*e_1_2_0 &
44773  +c3*e_2_2_0&
44774 
44775  )
44776  e_3_3_0 = zeta*( c1*e_2_2_0 &
44777 
44778 
44779  )
44780  e_3_2_1 = zetb*( c1*e_2_2_0 &
44781 
44782 
44783  )
44784  e_0_4_0 = zeta*( &
44785  +c2*e_0_3_0&
44786  +2*e_1_3_0 &
44787  -6*e_0_2_0)
44788  e_0_3_1 = zetb*( &
44789  +c3*e_0_3_0&
44790  +2*e_1_3_0 &
44791  )
44792  e_1_4_0 = zeta*( c1*e_0_3_0 &
44793  +c2*e_1_3_0&
44794  +4*e_2_3_0 &
44795  -6*e_1_2_0)
44796  e_1_3_1 = zetb*( c1*e_0_3_0 &
44797  +c3*e_1_3_0&
44798  +4*e_2_3_0 &
44799  )
44800  e_2_4_0 = zeta*( c1*e_1_3_0 &
44801  +c2*e_2_3_0&
44802  +6*e_3_3_0 &
44803  -6*e_2_2_0)
44804  e_2_3_1 = zetb*( c1*e_1_3_0 &
44805  +c3*e_2_3_0&
44806  +6*e_3_3_0 &
44807  )
44808  e_3_4_0 = zeta*( c1*e_2_3_0 &
44809  +c2*e_3_3_0&
44810 
44811  )
44812  e_3_3_1 = zetb*( c1*e_2_3_0 &
44813  +c3*e_3_3_0&
44814 
44815  )
44816  e_4_4_0 = zeta*( c1*e_3_3_0 &
44817 
44818 
44819  )
44820  e_4_3_1 = zetb*( c1*e_3_3_0 &
44821 
44822 
44823  )
44824  e_0_4_1 = zetb*( &
44825  +c3*e_0_4_0&
44826  +2*e_1_4_0 &
44827  )
44828  e_1_4_1 = zetb*( c1*e_0_4_0 &
44829  +c3*e_1_4_0&
44830  +4*e_2_4_0 &
44831  )
44832  e_2_4_1 = zetb*( c1*e_1_4_0 &
44833  +c3*e_2_4_0&
44834  +6*e_3_4_0 &
44835  )
44836  e_3_4_1 = zetb*( c1*e_2_4_0 &
44837  +c3*e_3_4_0&
44838  +8*e_4_4_0 &
44839  )
44840  e_4_4_1 = zetb*( c1*e_3_4_0 &
44841  +c3*e_4_4_0&
44842 
44843  )
44844  e_5_4_1 = zetb*( c1*e_4_4_0 &
44845 
44846 
44847  )
44848  e_0_1_1 = zeta*( &
44849  +c2*e_0_0_1&
44850  +2*e_1_0_1 &
44851  )
44852  e_0_0_2 = zetb*( &
44853  +c3*e_0_0_1&
44854  +2*e_1_0_1 &
44855  -2*e_0_0_0)
44856  e_1_1_1 = zeta*( c1*e_0_0_1 &
44857  +c2*e_1_0_1&
44858 
44859  )
44860  e_1_0_2 = zetb*( c1*e_0_0_1 &
44861  +c3*e_1_0_1&
44862 
44863  )
44864  e_2_1_1 = zeta*( c1*e_1_0_1 &
44865 
44866 
44867  )
44868  e_2_0_2 = zetb*( c1*e_1_0_1 &
44869 
44870 
44871  )
44872  e_0_2_1 = zeta*( &
44873  +c2*e_0_1_1&
44874  +2*e_1_1_1 &
44875  -2*e_0_0_1)
44876  e_0_1_2 = zetb*( &
44877  +c3*e_0_1_1&
44878  +2*e_1_1_1 &
44879  -2*e_0_1_0)
44880  e_1_2_1 = zeta*( c1*e_0_1_1 &
44881  +c2*e_1_1_1&
44882  +4*e_2_1_1 &
44883  -2*e_1_0_1)
44884  e_1_1_2 = zetb*( c1*e_0_1_1 &
44885  +c3*e_1_1_1&
44886  +4*e_2_1_1 &
44887  -2*e_1_1_0)
44888  e_2_2_1 = zeta*( c1*e_1_1_1 &
44889  +c2*e_2_1_1&
44890 
44891  )
44892  e_2_1_2 = zetb*( c1*e_1_1_1 &
44893  +c3*e_2_1_1&
44894 
44895  )
44896  e_3_2_1 = zeta*( c1*e_2_1_1 &
44897 
44898 
44899  )
44900  e_3_1_2 = zetb*( c1*e_2_1_1 &
44901 
44902 
44903  )
44904  e_0_3_1 = zeta*( &
44905  +c2*e_0_2_1&
44906  +2*e_1_2_1 &
44907  -4*e_0_1_1)
44908  e_0_2_2 = zetb*( &
44909  +c3*e_0_2_1&
44910  +2*e_1_2_1 &
44911  -2*e_0_2_0)
44912  e_1_3_1 = zeta*( c1*e_0_2_1 &
44913  +c2*e_1_2_1&
44914  +4*e_2_2_1 &
44915  -4*e_1_1_1)
44916  e_1_2_2 = zetb*( c1*e_0_2_1 &
44917  +c3*e_1_2_1&
44918  +4*e_2_2_1 &
44919  -2*e_1_2_0)
44920  e_2_3_1 = zeta*( c1*e_1_2_1 &
44921  +c2*e_2_2_1&
44922  +6*e_3_2_1 &
44923  -4*e_2_1_1)
44924  e_2_2_2 = zetb*( c1*e_1_2_1 &
44925  +c3*e_2_2_1&
44926  +6*e_3_2_1 &
44927  -2*e_2_2_0)
44928  e_3_3_1 = zeta*( c1*e_2_2_1 &
44929  +c2*e_3_2_1&
44930 
44931  )
44932  e_3_2_2 = zetb*( c1*e_2_2_1 &
44933  +c3*e_3_2_1&
44934 
44935  )
44936  e_4_3_1 = zeta*( c1*e_3_2_1 &
44937 
44938 
44939  )
44940  e_4_2_2 = zetb*( c1*e_3_2_1 &
44941 
44942 
44943  )
44944  e_0_4_1 = zeta*( &
44945  +c2*e_0_3_1&
44946  +2*e_1_3_1 &
44947  -6*e_0_2_1)
44948  e_0_3_2 = zetb*( &
44949  +c3*e_0_3_1&
44950  +2*e_1_3_1 &
44951  -2*e_0_3_0)
44952  e_1_4_1 = zeta*( c1*e_0_3_1 &
44953  +c2*e_1_3_1&
44954  +4*e_2_3_1 &
44955  -6*e_1_2_1)
44956  e_1_3_2 = zetb*( c1*e_0_3_1 &
44957  +c3*e_1_3_1&
44958  +4*e_2_3_1 &
44959  -2*e_1_3_0)
44960  e_2_4_1 = zeta*( c1*e_1_3_1 &
44961  +c2*e_2_3_1&
44962  +6*e_3_3_1 &
44963  -6*e_2_2_1)
44964  e_2_3_2 = zetb*( c1*e_1_3_1 &
44965  +c3*e_2_3_1&
44966  +6*e_3_3_1 &
44967  -2*e_2_3_0)
44968  e_3_4_1 = zeta*( c1*e_2_3_1 &
44969  +c2*e_3_3_1&
44970  +8*e_4_3_1 &
44971  -6*e_3_2_1)
44972  e_3_3_2 = zetb*( c1*e_2_3_1 &
44973  +c3*e_3_3_1&
44974  +8*e_4_3_1 &
44975  -2*e_3_3_0)
44976  e_4_4_1 = zeta*( c1*e_3_3_1 &
44977  +c2*e_4_3_1&
44978 
44979  )
44980  e_4_3_2 = zetb*( c1*e_3_3_1 &
44981  +c3*e_4_3_1&
44982 
44983  )
44984  e_5_4_1 = zeta*( c1*e_4_3_1 &
44985 
44986 
44987  )
44988  e_5_3_2 = zetb*( c1*e_4_3_1 &
44989 
44990 
44991  )
44992  e_0_4_2 = zetb*( &
44993  +c3*e_0_4_1&
44994  +2*e_1_4_1 &
44995  -2*e_0_4_0)
44996  e_1_4_2 = zetb*( c1*e_0_4_1 &
44997  +c3*e_1_4_1&
44998  +4*e_2_4_1 &
44999  -2*e_1_4_0)
45000  e_2_4_2 = zetb*( c1*e_1_4_1 &
45001  +c3*e_2_4_1&
45002  +6*e_3_4_1 &
45003  -2*e_2_4_0)
45004  e_3_4_2 = zetb*( c1*e_2_4_1 &
45005  +c3*e_3_4_1&
45006  +8*e_4_4_1 &
45007  -2*e_3_4_0)
45008  e_4_4_2 = zetb*( c1*e_3_4_1 &
45009  +c3*e_4_4_1&
45010  +10*e_5_4_1 &
45011  -2*e_4_4_0)
45012  e_5_4_2 = zetb*( c1*e_4_4_1 &
45013  +c3*e_5_4_1&
45014 
45015  )
45016  e_6_4_2 = zetb*( c1*e_5_4_1 &
45017 
45018 
45019  )
45020  e_0_1_2 = zeta*( &
45021  +c2*e_0_0_2&
45022  +2*e_1_0_2 &
45023  )
45024  e_1_1_2 = zeta*( c1*e_0_0_2 &
45025  +c2*e_1_0_2&
45026  +4*e_2_0_2 &
45027  )
45028  e_2_1_2 = zeta*( c1*e_1_0_2 &
45029  +c2*e_2_0_2&
45030 
45031  )
45032  e_3_1_2 = zeta*( c1*e_2_0_2 &
45033 
45034 
45035  )
45036  e_0_2_2 = zeta*( &
45037  +c2*e_0_1_2&
45038  +2*e_1_1_2 &
45039  -2*e_0_0_2)
45040  e_1_2_2 = zeta*( c1*e_0_1_2 &
45041  +c2*e_1_1_2&
45042  +4*e_2_1_2 &
45043  -2*e_1_0_2)
45044  e_2_2_2 = zeta*( c1*e_1_1_2 &
45045  +c2*e_2_1_2&
45046  +6*e_3_1_2 &
45047  -2*e_2_0_2)
45048  e_3_2_2 = zeta*( c1*e_2_1_2 &
45049  +c2*e_3_1_2&
45050 
45051  )
45052  e_4_2_2 = zeta*( c1*e_3_1_2 &
45053 
45054 
45055  )
45056  e_0_3_2 = zeta*( &
45057  +c2*e_0_2_2&
45058  +2*e_1_2_2 &
45059  -4*e_0_1_2)
45060  e_1_3_2 = zeta*( c1*e_0_2_2 &
45061  +c2*e_1_2_2&
45062  +4*e_2_2_2 &
45063  -4*e_1_1_2)
45064  e_2_3_2 = zeta*( c1*e_1_2_2 &
45065  +c2*e_2_2_2&
45066  +6*e_3_2_2 &
45067  -4*e_2_1_2)
45068  e_3_3_2 = zeta*( c1*e_2_2_2 &
45069  +c2*e_3_2_2&
45070  +8*e_4_2_2 &
45071  -4*e_3_1_2)
45072  e_4_3_2 = zeta*( c1*e_3_2_2 &
45073  +c2*e_4_2_2&
45074 
45075  )
45076  e_5_3_2 = zeta*( c1*e_4_2_2 &
45077 
45078 
45079  )
45080  e_0_4_2 = zeta*( &
45081  +c2*e_0_3_2&
45082  +2*e_1_3_2 &
45083  -6*e_0_2_2)
45084  e_1_4_2 = zeta*( c1*e_0_3_2 &
45085  +c2*e_1_3_2&
45086  +4*e_2_3_2 &
45087  -6*e_1_2_2)
45088  e_2_4_2 = zeta*( c1*e_1_3_2 &
45089  +c2*e_2_3_2&
45090  +6*e_3_3_2 &
45091  -6*e_2_2_2)
45092  e_3_4_2 = zeta*( c1*e_2_3_2 &
45093  +c2*e_3_3_2&
45094  +8*e_4_3_2 &
45095  -6*e_3_2_2)
45096  e_4_4_2 = zeta*( c1*e_3_3_2 &
45097  +c2*e_4_3_2&
45098  +10*e_5_3_2 &
45099  -6*e_4_2_2)
45100  e_5_4_2 = zeta*( c1*e_4_3_2 &
45101  +c2*e_5_3_2&
45102 
45103  )
45104  e_6_4_2 = zeta*( c1*e_5_3_2 &
45105 
45106 
45107  )
45108 
45109  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
45110  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
45111  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
45112  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
45113  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
45114  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
45115  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
45116  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
45117  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
45118  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
45119  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
45120  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
45121  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
45122  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
45123  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
45124  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
45125  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
45126  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
45127  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
45128  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
45129  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
45130  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
45131  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
45132  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
45133  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
45134  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
45135  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
45136  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
45137  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
45138  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
45139  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
45140  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
45141  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
45142  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
45143  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
45144  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
45145  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
45146  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
45147  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
45148  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
45149  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
45150  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
45151  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
45152  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
45153  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
45154  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
45155  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
45156  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
45157  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
45158  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
45159  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
45160  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
45161  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
45162  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
45163  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
45164  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
45165  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
45166  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
45167  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
45168  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
45169  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
45170  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
45171  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
45172  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
45173  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
45174  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
45175  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
45176  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
45177  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
45178  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
45179  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
45180  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
45181  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
45182  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
45183  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
45184  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
45185  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
45186  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
45187  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
45188  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
45189  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
45190  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
45191  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
45192  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
45193  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
45194  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
45195  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
45196  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
45197  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
45198  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
45199  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
45200  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
45201  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
45202  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
45203  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
45204  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
45205  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
45206  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
45207  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
45208  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
45209  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
45210  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
45211  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
45212  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
45213  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
45214  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
45215  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
45216  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
45217  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
45218  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
45219  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
45220  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
45221  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
45222  s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
45223  s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
45224  s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
45225  s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
45226  s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
45227  s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
45228  s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
45229  r1 = r1 + dr
45230  END DO
45231 
45232  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
45233  END SUBROUTINE
45234  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_2_2_exp_0 ( &
45235  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
45236  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
45237  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
45238  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
45239  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
45240  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
45241  r_pow_t, r_tmp, rr1_delta, rr2_delta
45242 
45243  REAL(kind=dp) :: c1, c2, c3
45244  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
45245  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
45246  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
45247  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
45248  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
45249  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
45250  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
45251  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
45252  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
45253  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
45254  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
45255  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2
45256 
45257 
45258  dr = lgth
45259  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
45260 
45261  s_r(:, :, :) = 0.0_dp
45262 
45263  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
45264 
45265  h_to_c_0_0 = sqrt(alpha/pi)
45266 
45267  h_to_c_0_1 = 0.0_dp
45268  h_to_c_1_1 = +2*alpha*h_to_c_0_0
45269  h_to_c_0_2 = -1*h_to_c_1_1
45270  h_to_c_1_2 = +2*alpha*h_to_c_0_1
45271  h_to_c_2_2 = +2*alpha*h_to_c_1_1
45272  h_to_c_0_3 = -1*h_to_c_1_2
45273  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
45274  h_to_c_2_3 = +2*alpha*h_to_c_1_2
45275  h_to_c_3_3 = +2*alpha*h_to_c_2_2
45276  h_to_c_0_4 = -1*h_to_c_1_3
45277  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
45278  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
45279  h_to_c_3_4 = +2*alpha*h_to_c_2_3
45280  h_to_c_4_4 = +2*alpha*h_to_c_3_3
45281  h_to_c_0_5 = -1*h_to_c_1_4
45282  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
45283  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
45284  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
45285  h_to_c_4_5 = +2*alpha*h_to_c_3_4
45286  h_to_c_5_5 = +2*alpha*h_to_c_4_4
45287  h_to_c_0_6 = -1*h_to_c_1_5
45288  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
45289  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
45290  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
45291  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
45292  h_to_c_5_6 = +2*alpha*h_to_c_4_5
45293  h_to_c_6_6 = +2*alpha*h_to_c_5_5
45294  h_to_c_0_7 = -1*h_to_c_1_6
45295  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
45296  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
45297  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
45298  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
45299  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
45300  h_to_c_6_7 = +2*alpha*h_to_c_5_6
45301  h_to_c_7_7 = +2*alpha*h_to_c_6_6
45302  h_to_c_0_8 = -1*h_to_c_1_7
45303  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
45304  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
45305  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
45306  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
45307  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
45308  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
45309  h_to_c_7_8 = +2*alpha*h_to_c_6_7
45310  h_to_c_8_8 = +2*alpha*h_to_c_7_7
45311 
45312 
45313  rr1_delta = (ra - rb)/dr
45314 
45315  rr1_l = ceiling(-r_c(1) + rr1_delta)
45316  rr1_r = floor(r_c(1) + rr1_delta)
45317 
45318  r1 = rr1_l*dr
45319 
45320  alpha_e = zeta*zetb/(zeta + zetb)
45321 
45322  DO rr1 = rr1_l, rr1_r
45323  s_r_t_0 = 0.0_dp
45324  s_r_t2_0 = 0.0_dp
45325  s_r_t_1 = 0.0_dp
45326  s_r_t2_1 = 0.0_dp
45327  s_r_t_2 = 0.0_dp
45328  s_r_t2_2 = 0.0_dp
45329  s_r_t_3 = 0.0_dp
45330  s_r_t2_3 = 0.0_dp
45331  s_r_t_4 = 0.0_dp
45332  s_r_t2_4 = 0.0_dp
45333  s_r_t_5 = 0.0_dp
45334  s_r_t2_5 = 0.0_dp
45335  s_r_t_6 = 0.0_dp
45336  s_r_t2_6 = 0.0_dp
45337  s_r_t_7 = 0.0_dp
45338  s_r_t2_7 = 0.0_dp
45339  s_r_t_8 = 0.0_dp
45340  s_r_t2_8 = 0.0_dp
45341  r_tmp = r_offset + r1*zeta/(zeta + zetb)
45342  rr2_delta = -r_tmp/dr
45343 
45344  rr2_l = ceiling(-r_c(2) + rr2_delta)
45345  rr2_r = floor(r_c(2) + rr2_delta)
45346 
45347  r = r_tmp + (rr2_l)*dr
45348 
45349 
45350  DO rr2 = rr2_l, rr2_r
45351  r_pow_t = 1.0_dp
45352  exp2_rsq = exp(-alpha*r*r)
45353  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
45354  r_pow_t = r_pow_t*r
45355  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
45356  r_pow_t = r_pow_t*r
45357  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
45358  r_pow_t = r_pow_t*r
45359  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
45360  r_pow_t = r_pow_t*r
45361  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
45362  r_pow_t = r_pow_t*r
45363  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
45364  r_pow_t = r_pow_t*r
45365  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
45366  r_pow_t = r_pow_t*r
45367  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
45368  r_pow_t = r_pow_t*r
45369  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
45370 
45371  r = r + dr
45372  END DO
45373 
45374  ! C --> H
45375  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
45376  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
45377  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
45378  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
45379  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
45380  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
45381  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
45382  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
45383  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
45384  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
45385  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
45386  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
45387  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
45388  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
45389  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
45390  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
45391  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
45392  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
45393  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
45394  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
45395  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
45396  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
45397  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
45398  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
45399  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
45400  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
45401  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
45402  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
45403  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
45404  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
45405  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
45406  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
45407  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
45408  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
45409  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
45410  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
45411  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
45412  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
45413  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
45414  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
45415  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
45416  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
45417  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
45418  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
45419  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
45420 
45421  ! H --> HH
45422  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
45423 
45424  c1 = 1.0_dp/(zeta + zetb)
45425  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
45426  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
45427 
45428  e_0_1_0 = zeta*( &
45429  +c2*e_0_0_0&
45430 
45431  )
45432  e_0_0_1 = zetb*( &
45433  +c3*e_0_0_0&
45434 
45435  )
45436  e_1_1_0 = zeta*( c1*e_0_0_0 &
45437 
45438 
45439  )
45440  e_1_0_1 = zetb*( c1*e_0_0_0 &
45441 
45442 
45443  )
45444  e_0_2_0 = zeta*( &
45445  +c2*e_0_1_0&
45446  +2*e_1_1_0 &
45447  -2*e_0_0_0)
45448  e_0_1_1 = zetb*( &
45449  +c3*e_0_1_0&
45450  +2*e_1_1_0 &
45451  )
45452  e_1_2_0 = zeta*( c1*e_0_1_0 &
45453  +c2*e_1_1_0&
45454 
45455  )
45456  e_1_1_1 = zetb*( c1*e_0_1_0 &
45457  +c3*e_1_1_0&
45458 
45459  )
45460  e_2_2_0 = zeta*( c1*e_1_1_0 &
45461 
45462 
45463  )
45464  e_2_1_1 = zetb*( c1*e_1_1_0 &
45465 
45466 
45467  )
45468  e_0_3_0 = zeta*( &
45469  +c2*e_0_2_0&
45470  +2*e_1_2_0 &
45471  -4*e_0_1_0)
45472  e_0_2_1 = zetb*( &
45473  +c3*e_0_2_0&
45474  +2*e_1_2_0 &
45475  )
45476  e_1_3_0 = zeta*( c1*e_0_2_0 &
45477  +c2*e_1_2_0&
45478  +4*e_2_2_0 &
45479  -4*e_1_1_0)
45480  e_1_2_1 = zetb*( c1*e_0_2_0 &
45481  +c3*e_1_2_0&
45482  +4*e_2_2_0 &
45483  )
45484  e_2_3_0 = zeta*( c1*e_1_2_0 &
45485  +c2*e_2_2_0&
45486 
45487  )
45488  e_2_2_1 = zetb*( c1*e_1_2_0 &
45489  +c3*e_2_2_0&
45490 
45491  )
45492  e_3_3_0 = zeta*( c1*e_2_2_0 &
45493 
45494 
45495  )
45496  e_3_2_1 = zetb*( c1*e_2_2_0 &
45497 
45498 
45499  )
45500  e_0_4_0 = zeta*( &
45501  +c2*e_0_3_0&
45502  +2*e_1_3_0 &
45503  -6*e_0_2_0)
45504  e_0_3_1 = zetb*( &
45505  +c3*e_0_3_0&
45506  +2*e_1_3_0 &
45507  )
45508  e_1_4_0 = zeta*( c1*e_0_3_0 &
45509  +c2*e_1_3_0&
45510  +4*e_2_3_0 &
45511  -6*e_1_2_0)
45512  e_1_3_1 = zetb*( c1*e_0_3_0 &
45513  +c3*e_1_3_0&
45514  +4*e_2_3_0 &
45515  )
45516  e_2_4_0 = zeta*( c1*e_1_3_0 &
45517  +c2*e_2_3_0&
45518  +6*e_3_3_0 &
45519  -6*e_2_2_0)
45520  e_2_3_1 = zetb*( c1*e_1_3_0 &
45521  +c3*e_2_3_0&
45522  +6*e_3_3_0 &
45523  )
45524  e_3_4_0 = zeta*( c1*e_2_3_0 &
45525  +c2*e_3_3_0&
45526 
45527  )
45528  e_3_3_1 = zetb*( c1*e_2_3_0 &
45529  +c3*e_3_3_0&
45530 
45531  )
45532  e_4_4_0 = zeta*( c1*e_3_3_0 &
45533 
45534 
45535  )
45536  e_4_3_1 = zetb*( c1*e_3_3_0 &
45537 
45538 
45539  )
45540  e_0_4_1 = zetb*( &
45541  +c3*e_0_4_0&
45542  +2*e_1_4_0 &
45543  )
45544  e_1_4_1 = zetb*( c1*e_0_4_0 &
45545  +c3*e_1_4_0&
45546  +4*e_2_4_0 &
45547  )
45548  e_2_4_1 = zetb*( c1*e_1_4_0 &
45549  +c3*e_2_4_0&
45550  +6*e_3_4_0 &
45551  )
45552  e_3_4_1 = zetb*( c1*e_2_4_0 &
45553  +c3*e_3_4_0&
45554  +8*e_4_4_0 &
45555  )
45556  e_4_4_1 = zetb*( c1*e_3_4_0 &
45557  +c3*e_4_4_0&
45558 
45559  )
45560  e_5_4_1 = zetb*( c1*e_4_4_0 &
45561 
45562 
45563  )
45564  e_0_1_1 = zeta*( &
45565  +c2*e_0_0_1&
45566  +2*e_1_0_1 &
45567  )
45568  e_0_0_2 = zetb*( &
45569  +c3*e_0_0_1&
45570  +2*e_1_0_1 &
45571  -2*e_0_0_0)
45572  e_1_1_1 = zeta*( c1*e_0_0_1 &
45573  +c2*e_1_0_1&
45574 
45575  )
45576  e_1_0_2 = zetb*( c1*e_0_0_1 &
45577  +c3*e_1_0_1&
45578 
45579  )
45580  e_2_1_1 = zeta*( c1*e_1_0_1 &
45581 
45582 
45583  )
45584  e_2_0_2 = zetb*( c1*e_1_0_1 &
45585 
45586 
45587  )
45588  e_0_2_1 = zeta*( &
45589  +c2*e_0_1_1&
45590  +2*e_1_1_1 &
45591  -2*e_0_0_1)
45592  e_0_1_2 = zetb*( &
45593  +c3*e_0_1_1&
45594  +2*e_1_1_1 &
45595  -2*e_0_1_0)
45596  e_1_2_1 = zeta*( c1*e_0_1_1 &
45597  +c2*e_1_1_1&
45598  +4*e_2_1_1 &
45599  -2*e_1_0_1)
45600  e_1_1_2 = zetb*( c1*e_0_1_1 &
45601  +c3*e_1_1_1&
45602  +4*e_2_1_1 &
45603  -2*e_1_1_0)
45604  e_2_2_1 = zeta*( c1*e_1_1_1 &
45605  +c2*e_2_1_1&
45606 
45607  )
45608  e_2_1_2 = zetb*( c1*e_1_1_1 &
45609  +c3*e_2_1_1&
45610 
45611  )
45612  e_3_2_1 = zeta*( c1*e_2_1_1 &
45613 
45614 
45615  )
45616  e_3_1_2 = zetb*( c1*e_2_1_1 &
45617 
45618 
45619  )
45620  e_0_3_1 = zeta*( &
45621  +c2*e_0_2_1&
45622  +2*e_1_2_1 &
45623  -4*e_0_1_1)
45624  e_0_2_2 = zetb*( &
45625  +c3*e_0_2_1&
45626  +2*e_1_2_1 &
45627  -2*e_0_2_0)
45628  e_1_3_1 = zeta*( c1*e_0_2_1 &
45629  +c2*e_1_2_1&
45630  +4*e_2_2_1 &
45631  -4*e_1_1_1)
45632  e_1_2_2 = zetb*( c1*e_0_2_1 &
45633  +c3*e_1_2_1&
45634  +4*e_2_2_1 &
45635  -2*e_1_2_0)
45636  e_2_3_1 = zeta*( c1*e_1_2_1 &
45637  +c2*e_2_2_1&
45638  +6*e_3_2_1 &
45639  -4*e_2_1_1)
45640  e_2_2_2 = zetb*( c1*e_1_2_1 &
45641  +c3*e_2_2_1&
45642  +6*e_3_2_1 &
45643  -2*e_2_2_0)
45644  e_3_3_1 = zeta*( c1*e_2_2_1 &
45645  +c2*e_3_2_1&
45646 
45647  )
45648  e_3_2_2 = zetb*( c1*e_2_2_1 &
45649  +c3*e_3_2_1&
45650 
45651  )
45652  e_4_3_1 = zeta*( c1*e_3_2_1 &
45653 
45654 
45655  )
45656  e_4_2_2 = zetb*( c1*e_3_2_1 &
45657 
45658 
45659  )
45660  e_0_4_1 = zeta*( &
45661  +c2*e_0_3_1&
45662  +2*e_1_3_1 &
45663  -6*e_0_2_1)
45664  e_0_3_2 = zetb*( &
45665  +c3*e_0_3_1&
45666  +2*e_1_3_1 &
45667  -2*e_0_3_0)
45668  e_1_4_1 = zeta*( c1*e_0_3_1 &
45669  +c2*e_1_3_1&
45670  +4*e_2_3_1 &
45671  -6*e_1_2_1)
45672  e_1_3_2 = zetb*( c1*e_0_3_1 &
45673  +c3*e_1_3_1&
45674  +4*e_2_3_1 &
45675  -2*e_1_3_0)
45676  e_2_4_1 = zeta*( c1*e_1_3_1 &
45677  +c2*e_2_3_1&
45678  +6*e_3_3_1 &
45679  -6*e_2_2_1)
45680  e_2_3_2 = zetb*( c1*e_1_3_1 &
45681  +c3*e_2_3_1&
45682  +6*e_3_3_1 &
45683  -2*e_2_3_0)
45684  e_3_4_1 = zeta*( c1*e_2_3_1 &
45685  +c2*e_3_3_1&
45686  +8*e_4_3_1 &
45687  -6*e_3_2_1)
45688  e_3_3_2 = zetb*( c1*e_2_3_1 &
45689  +c3*e_3_3_1&
45690  +8*e_4_3_1 &
45691  -2*e_3_3_0)
45692  e_4_4_1 = zeta*( c1*e_3_3_1 &
45693  +c2*e_4_3_1&
45694 
45695  )
45696  e_4_3_2 = zetb*( c1*e_3_3_1 &
45697  +c3*e_4_3_1&
45698 
45699  )
45700  e_5_4_1 = zeta*( c1*e_4_3_1 &
45701 
45702 
45703  )
45704  e_5_3_2 = zetb*( c1*e_4_3_1 &
45705 
45706 
45707  )
45708  e_0_4_2 = zetb*( &
45709  +c3*e_0_4_1&
45710  +2*e_1_4_1 &
45711  -2*e_0_4_0)
45712  e_1_4_2 = zetb*( c1*e_0_4_1 &
45713  +c3*e_1_4_1&
45714  +4*e_2_4_1 &
45715  -2*e_1_4_0)
45716  e_2_4_2 = zetb*( c1*e_1_4_1 &
45717  +c3*e_2_4_1&
45718  +6*e_3_4_1 &
45719  -2*e_2_4_0)
45720  e_3_4_2 = zetb*( c1*e_2_4_1 &
45721  +c3*e_3_4_1&
45722  +8*e_4_4_1 &
45723  -2*e_3_4_0)
45724  e_4_4_2 = zetb*( c1*e_3_4_1 &
45725  +c3*e_4_4_1&
45726  +10*e_5_4_1 &
45727  -2*e_4_4_0)
45728  e_5_4_2 = zetb*( c1*e_4_4_1 &
45729  +c3*e_5_4_1&
45730 
45731  )
45732  e_6_4_2 = zetb*( c1*e_5_4_1 &
45733 
45734 
45735  )
45736  e_0_1_2 = zeta*( &
45737  +c2*e_0_0_2&
45738  +2*e_1_0_2 &
45739  )
45740  e_1_1_2 = zeta*( c1*e_0_0_2 &
45741  +c2*e_1_0_2&
45742  +4*e_2_0_2 &
45743  )
45744  e_2_1_2 = zeta*( c1*e_1_0_2 &
45745  +c2*e_2_0_2&
45746 
45747  )
45748  e_3_1_2 = zeta*( c1*e_2_0_2 &
45749 
45750 
45751  )
45752  e_0_2_2 = zeta*( &
45753  +c2*e_0_1_2&
45754  +2*e_1_1_2 &
45755  -2*e_0_0_2)
45756  e_1_2_2 = zeta*( c1*e_0_1_2 &
45757  +c2*e_1_1_2&
45758  +4*e_2_1_2 &
45759  -2*e_1_0_2)
45760  e_2_2_2 = zeta*( c1*e_1_1_2 &
45761  +c2*e_2_1_2&
45762  +6*e_3_1_2 &
45763  -2*e_2_0_2)
45764  e_3_2_2 = zeta*( c1*e_2_1_2 &
45765  +c2*e_3_1_2&
45766 
45767  )
45768  e_4_2_2 = zeta*( c1*e_3_1_2 &
45769 
45770 
45771  )
45772  e_0_3_2 = zeta*( &
45773  +c2*e_0_2_2&
45774  +2*e_1_2_2 &
45775  -4*e_0_1_2)
45776  e_1_3_2 = zeta*( c1*e_0_2_2 &
45777  +c2*e_1_2_2&
45778  +4*e_2_2_2 &
45779  -4*e_1_1_2)
45780  e_2_3_2 = zeta*( c1*e_1_2_2 &
45781  +c2*e_2_2_2&
45782  +6*e_3_2_2 &
45783  -4*e_2_1_2)
45784  e_3_3_2 = zeta*( c1*e_2_2_2 &
45785  +c2*e_3_2_2&
45786  +8*e_4_2_2 &
45787  -4*e_3_1_2)
45788  e_4_3_2 = zeta*( c1*e_3_2_2 &
45789  +c2*e_4_2_2&
45790 
45791  )
45792  e_5_3_2 = zeta*( c1*e_4_2_2 &
45793 
45794 
45795  )
45796  e_0_4_2 = zeta*( &
45797  +c2*e_0_3_2&
45798  +2*e_1_3_2 &
45799  -6*e_0_2_2)
45800  e_1_4_2 = zeta*( c1*e_0_3_2 &
45801  +c2*e_1_3_2&
45802  +4*e_2_3_2 &
45803  -6*e_1_2_2)
45804  e_2_4_2 = zeta*( c1*e_1_3_2 &
45805  +c2*e_2_3_2&
45806  +6*e_3_3_2 &
45807  -6*e_2_2_2)
45808  e_3_4_2 = zeta*( c1*e_2_3_2 &
45809  +c2*e_3_3_2&
45810  +8*e_4_3_2 &
45811  -6*e_3_2_2)
45812  e_4_4_2 = zeta*( c1*e_3_3_2 &
45813  +c2*e_4_3_2&
45814  +10*e_5_3_2 &
45815  -6*e_4_2_2)
45816  e_5_4_2 = zeta*( c1*e_4_3_2 &
45817  +c2*e_5_3_2&
45818 
45819  )
45820  e_6_4_2 = zeta*( c1*e_5_3_2 &
45821 
45822 
45823  )
45824 
45825  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
45826  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
45827  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
45828  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
45829  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
45830  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
45831  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
45832  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
45833  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
45834  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
45835  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
45836  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
45837  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
45838  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
45839  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
45840  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
45841  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
45842  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
45843  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
45844  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
45845  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
45846  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
45847  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
45848  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
45849  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
45850  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
45851  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
45852  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
45853  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
45854  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
45855  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
45856  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
45857  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
45858  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
45859  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
45860  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
45861  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
45862  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
45863  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
45864  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
45865  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
45866  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
45867  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
45868  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
45869  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
45870  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
45871  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
45872  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
45873  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
45874  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
45875  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
45876  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
45877  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
45878  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
45879  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
45880  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
45881  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
45882  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
45883  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
45884  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
45885  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
45886  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
45887  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
45888  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
45889  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
45890  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
45891  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
45892  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
45893  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
45894  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
45895  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
45896  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
45897  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
45898  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
45899  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
45900  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
45901  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
45902  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
45903  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
45904  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
45905  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
45906  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
45907  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
45908  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
45909  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
45910  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
45911  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
45912  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
45913  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
45914  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
45915  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
45916  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
45917  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
45918  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
45919  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
45920  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
45921  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
45922  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
45923  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
45924  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
45925  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
45926  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
45927  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
45928  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
45929  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
45930  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
45931  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
45932  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
45933  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
45934  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
45935  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
45936  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
45937  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
45938  s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
45939  s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
45940  s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
45941  s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
45942  s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
45943  s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
45944  s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
45945  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
45946  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
45947  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
45948  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
45949  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
45950  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
45951  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
45952  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
45953  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
45954  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
45955  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
45956  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
45957  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
45958  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
45959  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
45960  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
45961  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
45962  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
45963  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
45964  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
45965  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
45966  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
45967  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
45968  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
45969  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
45970  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
45971  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
45972  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
45973  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
45974  s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
45975  s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
45976  s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
45977  s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
45978  s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
45979  s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
45980  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
45981  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
45982  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
45983  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
45984  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
45985  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
45986  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
45987  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
45988  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
45989  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
45990  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
45991  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
45992  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
45993  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
45994  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
45995  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
45996  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
45997  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
45998  s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
45999  s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
46000  s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
46001  s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
46002  s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
46003  s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
46004  s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
46005  r1 = r1 + dr
46006  END DO
46007 
46008  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
46009  END SUBROUTINE
46010  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_2_3_exp_0 ( &
46011  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
46012  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
46013  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
46014  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
46015  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
46016  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
46017  r_pow_t, r_tmp, rr1_delta, rr2_delta
46018 
46019  REAL(kind=dp) :: c1, c2, c3
46020  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
46021  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
46022  & s_r_t2_9
46023  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
46024  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
46025  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
46026  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
46027  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
46028  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
46029  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
46030  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
46031  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
46032  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
46033  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2
46034 
46035 
46036  dr = lgth
46037  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
46038 
46039  s_r(:, :, :) = 0.0_dp
46040 
46041  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
46042 
46043  h_to_c_0_0 = sqrt(alpha/pi)
46044 
46045  h_to_c_0_1 = 0.0_dp
46046  h_to_c_1_1 = +2*alpha*h_to_c_0_0
46047  h_to_c_0_2 = -1*h_to_c_1_1
46048  h_to_c_1_2 = +2*alpha*h_to_c_0_1
46049  h_to_c_2_2 = +2*alpha*h_to_c_1_1
46050  h_to_c_0_3 = -1*h_to_c_1_2
46051  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
46052  h_to_c_2_3 = +2*alpha*h_to_c_1_2
46053  h_to_c_3_3 = +2*alpha*h_to_c_2_2
46054  h_to_c_0_4 = -1*h_to_c_1_3
46055  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
46056  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
46057  h_to_c_3_4 = +2*alpha*h_to_c_2_3
46058  h_to_c_4_4 = +2*alpha*h_to_c_3_3
46059  h_to_c_0_5 = -1*h_to_c_1_4
46060  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
46061  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
46062  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
46063  h_to_c_4_5 = +2*alpha*h_to_c_3_4
46064  h_to_c_5_5 = +2*alpha*h_to_c_4_4
46065  h_to_c_0_6 = -1*h_to_c_1_5
46066  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
46067  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
46068  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
46069  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
46070  h_to_c_5_6 = +2*alpha*h_to_c_4_5
46071  h_to_c_6_6 = +2*alpha*h_to_c_5_5
46072  h_to_c_0_7 = -1*h_to_c_1_6
46073  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
46074  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
46075  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
46076  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
46077  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
46078  h_to_c_6_7 = +2*alpha*h_to_c_5_6
46079  h_to_c_7_7 = +2*alpha*h_to_c_6_6
46080  h_to_c_0_8 = -1*h_to_c_1_7
46081  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
46082  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
46083  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
46084  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
46085  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
46086  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
46087  h_to_c_7_8 = +2*alpha*h_to_c_6_7
46088  h_to_c_8_8 = +2*alpha*h_to_c_7_7
46089  h_to_c_0_9 = -1*h_to_c_1_8
46090  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
46091  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
46092  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
46093  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
46094  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
46095  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
46096  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
46097  h_to_c_8_9 = +2*alpha*h_to_c_7_8
46098  h_to_c_9_9 = +2*alpha*h_to_c_8_8
46099 
46100 
46101  rr1_delta = (ra - rb)/dr
46102 
46103  rr1_l = ceiling(-r_c(1) + rr1_delta)
46104  rr1_r = floor(r_c(1) + rr1_delta)
46105 
46106  r1 = rr1_l*dr
46107 
46108  alpha_e = zeta*zetb/(zeta + zetb)
46109 
46110  DO rr1 = rr1_l, rr1_r
46111  s_r_t_0 = 0.0_dp
46112  s_r_t2_0 = 0.0_dp
46113  s_r_t_1 = 0.0_dp
46114  s_r_t2_1 = 0.0_dp
46115  s_r_t_2 = 0.0_dp
46116  s_r_t2_2 = 0.0_dp
46117  s_r_t_3 = 0.0_dp
46118  s_r_t2_3 = 0.0_dp
46119  s_r_t_4 = 0.0_dp
46120  s_r_t2_4 = 0.0_dp
46121  s_r_t_5 = 0.0_dp
46122  s_r_t2_5 = 0.0_dp
46123  s_r_t_6 = 0.0_dp
46124  s_r_t2_6 = 0.0_dp
46125  s_r_t_7 = 0.0_dp
46126  s_r_t2_7 = 0.0_dp
46127  s_r_t_8 = 0.0_dp
46128  s_r_t2_8 = 0.0_dp
46129  s_r_t_9 = 0.0_dp
46130  s_r_t2_9 = 0.0_dp
46131  r_tmp = r_offset + r1*zeta/(zeta + zetb)
46132  rr2_delta = -r_tmp/dr
46133 
46134  rr2_l = ceiling(-r_c(2) + rr2_delta)
46135  rr2_r = floor(r_c(2) + rr2_delta)
46136 
46137  r = r_tmp + (rr2_l)*dr
46138 
46139 
46140  DO rr2 = rr2_l, rr2_r
46141  r_pow_t = 1.0_dp
46142  exp2_rsq = exp(-alpha*r*r)
46143  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
46144  r_pow_t = r_pow_t*r
46145  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
46146  r_pow_t = r_pow_t*r
46147  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
46148  r_pow_t = r_pow_t*r
46149  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
46150  r_pow_t = r_pow_t*r
46151  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
46152  r_pow_t = r_pow_t*r
46153  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
46154  r_pow_t = r_pow_t*r
46155  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
46156  r_pow_t = r_pow_t*r
46157  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
46158  r_pow_t = r_pow_t*r
46159  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
46160  r_pow_t = r_pow_t*r
46161  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
46162 
46163  r = r + dr
46164  END DO
46165 
46166  ! C --> H
46167  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
46168  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
46169  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
46170  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
46171  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
46172  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
46173  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
46174  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
46175  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
46176  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
46177  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
46178  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
46179  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
46180  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
46181  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
46182  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
46183  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
46184  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
46185  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
46186  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
46187  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
46188  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
46189  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
46190  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
46191  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
46192  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
46193  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
46194  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
46195  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
46196  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
46197  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
46198  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
46199  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
46200  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
46201  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
46202  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
46203  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
46204  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
46205  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
46206  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
46207  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
46208  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
46209  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
46210  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
46211  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
46212  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
46213  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
46214  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
46215  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
46216  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
46217  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
46218  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
46219  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
46220  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
46221  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
46222 
46223  ! H --> HH
46224  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
46225 
46226  c1 = 1.0_dp/(zeta + zetb)
46227  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
46228  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
46229 
46230  e_0_1_0 = zeta*( &
46231  +c2*e_0_0_0&
46232 
46233  )
46234  e_0_0_1 = zetb*( &
46235  +c3*e_0_0_0&
46236 
46237  )
46238  e_1_1_0 = zeta*( c1*e_0_0_0 &
46239 
46240 
46241  )
46242  e_1_0_1 = zetb*( c1*e_0_0_0 &
46243 
46244 
46245  )
46246  e_0_2_0 = zeta*( &
46247  +c2*e_0_1_0&
46248  +2*e_1_1_0 &
46249  -2*e_0_0_0)
46250  e_0_1_1 = zetb*( &
46251  +c3*e_0_1_0&
46252  +2*e_1_1_0 &
46253  )
46254  e_1_2_0 = zeta*( c1*e_0_1_0 &
46255  +c2*e_1_1_0&
46256 
46257  )
46258  e_1_1_1 = zetb*( c1*e_0_1_0 &
46259  +c3*e_1_1_0&
46260 
46261  )
46262  e_2_2_0 = zeta*( c1*e_1_1_0 &
46263 
46264 
46265  )
46266  e_2_1_1 = zetb*( c1*e_1_1_0 &
46267 
46268 
46269  )
46270  e_0_3_0 = zeta*( &
46271  +c2*e_0_2_0&
46272  +2*e_1_2_0 &
46273  -4*e_0_1_0)
46274  e_0_2_1 = zetb*( &
46275  +c3*e_0_2_0&
46276  +2*e_1_2_0 &
46277  )
46278  e_1_3_0 = zeta*( c1*e_0_2_0 &
46279  +c2*e_1_2_0&
46280  +4*e_2_2_0 &
46281  -4*e_1_1_0)
46282  e_1_2_1 = zetb*( c1*e_0_2_0 &
46283  +c3*e_1_2_0&
46284  +4*e_2_2_0 &
46285  )
46286  e_2_3_0 = zeta*( c1*e_1_2_0 &
46287  +c2*e_2_2_0&
46288 
46289  )
46290  e_2_2_1 = zetb*( c1*e_1_2_0 &
46291  +c3*e_2_2_0&
46292 
46293  )
46294  e_3_3_0 = zeta*( c1*e_2_2_0 &
46295 
46296 
46297  )
46298  e_3_2_1 = zetb*( c1*e_2_2_0 &
46299 
46300 
46301  )
46302  e_0_4_0 = zeta*( &
46303  +c2*e_0_3_0&
46304  +2*e_1_3_0 &
46305  -6*e_0_2_0)
46306  e_0_3_1 = zetb*( &
46307  +c3*e_0_3_0&
46308  +2*e_1_3_0 &
46309  )
46310  e_1_4_0 = zeta*( c1*e_0_3_0 &
46311  +c2*e_1_3_0&
46312  +4*e_2_3_0 &
46313  -6*e_1_2_0)
46314  e_1_3_1 = zetb*( c1*e_0_3_0 &
46315  +c3*e_1_3_0&
46316  +4*e_2_3_0 &
46317  )
46318  e_2_4_0 = zeta*( c1*e_1_3_0 &
46319  +c2*e_2_3_0&
46320  +6*e_3_3_0 &
46321  -6*e_2_2_0)
46322  e_2_3_1 = zetb*( c1*e_1_3_0 &
46323  +c3*e_2_3_0&
46324  +6*e_3_3_0 &
46325  )
46326  e_3_4_0 = zeta*( c1*e_2_3_0 &
46327  +c2*e_3_3_0&
46328 
46329  )
46330  e_3_3_1 = zetb*( c1*e_2_3_0 &
46331  +c3*e_3_3_0&
46332 
46333  )
46334  e_4_4_0 = zeta*( c1*e_3_3_0 &
46335 
46336 
46337  )
46338  e_4_3_1 = zetb*( c1*e_3_3_0 &
46339 
46340 
46341  )
46342  e_0_4_1 = zetb*( &
46343  +c3*e_0_4_0&
46344  +2*e_1_4_0 &
46345  )
46346  e_1_4_1 = zetb*( c1*e_0_4_0 &
46347  +c3*e_1_4_0&
46348  +4*e_2_4_0 &
46349  )
46350  e_2_4_1 = zetb*( c1*e_1_4_0 &
46351  +c3*e_2_4_0&
46352  +6*e_3_4_0 &
46353  )
46354  e_3_4_1 = zetb*( c1*e_2_4_0 &
46355  +c3*e_3_4_0&
46356  +8*e_4_4_0 &
46357  )
46358  e_4_4_1 = zetb*( c1*e_3_4_0 &
46359  +c3*e_4_4_0&
46360 
46361  )
46362  e_5_4_1 = zetb*( c1*e_4_4_0 &
46363 
46364 
46365  )
46366  e_0_1_1 = zeta*( &
46367  +c2*e_0_0_1&
46368  +2*e_1_0_1 &
46369  )
46370  e_0_0_2 = zetb*( &
46371  +c3*e_0_0_1&
46372  +2*e_1_0_1 &
46373  -2*e_0_0_0)
46374  e_1_1_1 = zeta*( c1*e_0_0_1 &
46375  +c2*e_1_0_1&
46376 
46377  )
46378  e_1_0_2 = zetb*( c1*e_0_0_1 &
46379  +c3*e_1_0_1&
46380 
46381  )
46382  e_2_1_1 = zeta*( c1*e_1_0_1 &
46383 
46384 
46385  )
46386  e_2_0_2 = zetb*( c1*e_1_0_1 &
46387 
46388 
46389  )
46390  e_0_2_1 = zeta*( &
46391  +c2*e_0_1_1&
46392  +2*e_1_1_1 &
46393  -2*e_0_0_1)
46394  e_0_1_2 = zetb*( &
46395  +c3*e_0_1_1&
46396  +2*e_1_1_1 &
46397  -2*e_0_1_0)
46398  e_1_2_1 = zeta*( c1*e_0_1_1 &
46399  +c2*e_1_1_1&
46400  +4*e_2_1_1 &
46401  -2*e_1_0_1)
46402  e_1_1_2 = zetb*( c1*e_0_1_1 &
46403  +c3*e_1_1_1&
46404  +4*e_2_1_1 &
46405  -2*e_1_1_0)
46406  e_2_2_1 = zeta*( c1*e_1_1_1 &
46407  +c2*e_2_1_1&
46408 
46409  )
46410  e_2_1_2 = zetb*( c1*e_1_1_1 &
46411  +c3*e_2_1_1&
46412 
46413  )
46414  e_3_2_1 = zeta*( c1*e_2_1_1 &
46415 
46416 
46417  )
46418  e_3_1_2 = zetb*( c1*e_2_1_1 &
46419 
46420 
46421  )
46422  e_0_3_1 = zeta*( &
46423  +c2*e_0_2_1&
46424  +2*e_1_2_1 &
46425  -4*e_0_1_1)
46426  e_0_2_2 = zetb*( &
46427  +c3*e_0_2_1&
46428  +2*e_1_2_1 &
46429  -2*e_0_2_0)
46430  e_1_3_1 = zeta*( c1*e_0_2_1 &
46431  +c2*e_1_2_1&
46432  +4*e_2_2_1 &
46433  -4*e_1_1_1)
46434  e_1_2_2 = zetb*( c1*e_0_2_1 &
46435  +c3*e_1_2_1&
46436  +4*e_2_2_1 &
46437  -2*e_1_2_0)
46438  e_2_3_1 = zeta*( c1*e_1_2_1 &
46439  +c2*e_2_2_1&
46440  +6*e_3_2_1 &
46441  -4*e_2_1_1)
46442  e_2_2_2 = zetb*( c1*e_1_2_1 &
46443  +c3*e_2_2_1&
46444  +6*e_3_2_1 &
46445  -2*e_2_2_0)
46446  e_3_3_1 = zeta*( c1*e_2_2_1 &
46447  +c2*e_3_2_1&
46448 
46449  )
46450  e_3_2_2 = zetb*( c1*e_2_2_1 &
46451  +c3*e_3_2_1&
46452 
46453  )
46454  e_4_3_1 = zeta*( c1*e_3_2_1 &
46455 
46456 
46457  )
46458  e_4_2_2 = zetb*( c1*e_3_2_1 &
46459 
46460 
46461  )
46462  e_0_4_1 = zeta*( &
46463  +c2*e_0_3_1&
46464  +2*e_1_3_1 &
46465  -6*e_0_2_1)
46466  e_0_3_2 = zetb*( &
46467  +c3*e_0_3_1&
46468  +2*e_1_3_1 &
46469  -2*e_0_3_0)
46470  e_1_4_1 = zeta*( c1*e_0_3_1 &
46471  +c2*e_1_3_1&
46472  +4*e_2_3_1 &
46473  -6*e_1_2_1)
46474  e_1_3_2 = zetb*( c1*e_0_3_1 &
46475  +c3*e_1_3_1&
46476  +4*e_2_3_1 &
46477  -2*e_1_3_0)
46478  e_2_4_1 = zeta*( c1*e_1_3_1 &
46479  +c2*e_2_3_1&
46480  +6*e_3_3_1 &
46481  -6*e_2_2_1)
46482  e_2_3_2 = zetb*( c1*e_1_3_1 &
46483  +c3*e_2_3_1&
46484  +6*e_3_3_1 &
46485  -2*e_2_3_0)
46486  e_3_4_1 = zeta*( c1*e_2_3_1 &
46487  +c2*e_3_3_1&
46488  +8*e_4_3_1 &
46489  -6*e_3_2_1)
46490  e_3_3_2 = zetb*( c1*e_2_3_1 &
46491  +c3*e_3_3_1&
46492  +8*e_4_3_1 &
46493  -2*e_3_3_0)
46494  e_4_4_1 = zeta*( c1*e_3_3_1 &
46495  +c2*e_4_3_1&
46496 
46497  )
46498  e_4_3_2 = zetb*( c1*e_3_3_1 &
46499  +c3*e_4_3_1&
46500 
46501  )
46502  e_5_4_1 = zeta*( c1*e_4_3_1 &
46503 
46504 
46505  )
46506  e_5_3_2 = zetb*( c1*e_4_3_1 &
46507 
46508 
46509  )
46510  e_0_4_2 = zetb*( &
46511  +c3*e_0_4_1&
46512  +2*e_1_4_1 &
46513  -2*e_0_4_0)
46514  e_1_4_2 = zetb*( c1*e_0_4_1 &
46515  +c3*e_1_4_1&
46516  +4*e_2_4_1 &
46517  -2*e_1_4_0)
46518  e_2_4_2 = zetb*( c1*e_1_4_1 &
46519  +c3*e_2_4_1&
46520  +6*e_3_4_1 &
46521  -2*e_2_4_0)
46522  e_3_4_2 = zetb*( c1*e_2_4_1 &
46523  +c3*e_3_4_1&
46524  +8*e_4_4_1 &
46525  -2*e_3_4_0)
46526  e_4_4_2 = zetb*( c1*e_3_4_1 &
46527  +c3*e_4_4_1&
46528  +10*e_5_4_1 &
46529  -2*e_4_4_0)
46530  e_5_4_2 = zetb*( c1*e_4_4_1 &
46531  +c3*e_5_4_1&
46532 
46533  )
46534  e_6_4_2 = zetb*( c1*e_5_4_1 &
46535 
46536 
46537  )
46538  e_0_1_2 = zeta*( &
46539  +c2*e_0_0_2&
46540  +2*e_1_0_2 &
46541  )
46542  e_1_1_2 = zeta*( c1*e_0_0_2 &
46543  +c2*e_1_0_2&
46544  +4*e_2_0_2 &
46545  )
46546  e_2_1_2 = zeta*( c1*e_1_0_2 &
46547  +c2*e_2_0_2&
46548 
46549  )
46550  e_3_1_2 = zeta*( c1*e_2_0_2 &
46551 
46552 
46553  )
46554  e_0_2_2 = zeta*( &
46555  +c2*e_0_1_2&
46556  +2*e_1_1_2 &
46557  -2*e_0_0_2)
46558  e_1_2_2 = zeta*( c1*e_0_1_2 &
46559  +c2*e_1_1_2&
46560  +4*e_2_1_2 &
46561  -2*e_1_0_2)
46562  e_2_2_2 = zeta*( c1*e_1_1_2 &
46563  +c2*e_2_1_2&
46564  +6*e_3_1_2 &
46565  -2*e_2_0_2)
46566  e_3_2_2 = zeta*( c1*e_2_1_2 &
46567  +c2*e_3_1_2&
46568 
46569  )
46570  e_4_2_2 = zeta*( c1*e_3_1_2 &
46571 
46572 
46573  )
46574  e_0_3_2 = zeta*( &
46575  +c2*e_0_2_2&
46576  +2*e_1_2_2 &
46577  -4*e_0_1_2)
46578  e_1_3_2 = zeta*( c1*e_0_2_2 &
46579  +c2*e_1_2_2&
46580  +4*e_2_2_2 &
46581  -4*e_1_1_2)
46582  e_2_3_2 = zeta*( c1*e_1_2_2 &
46583  +c2*e_2_2_2&
46584  +6*e_3_2_2 &
46585  -4*e_2_1_2)
46586  e_3_3_2 = zeta*( c1*e_2_2_2 &
46587  +c2*e_3_2_2&
46588  +8*e_4_2_2 &
46589  -4*e_3_1_2)
46590  e_4_3_2 = zeta*( c1*e_3_2_2 &
46591  +c2*e_4_2_2&
46592 
46593  )
46594  e_5_3_2 = zeta*( c1*e_4_2_2 &
46595 
46596 
46597  )
46598  e_0_4_2 = zeta*( &
46599  +c2*e_0_3_2&
46600  +2*e_1_3_2 &
46601  -6*e_0_2_2)
46602  e_1_4_2 = zeta*( c1*e_0_3_2 &
46603  +c2*e_1_3_2&
46604  +4*e_2_3_2 &
46605  -6*e_1_2_2)
46606  e_2_4_2 = zeta*( c1*e_1_3_2 &
46607  +c2*e_2_3_2&
46608  +6*e_3_3_2 &
46609  -6*e_2_2_2)
46610  e_3_4_2 = zeta*( c1*e_2_3_2 &
46611  +c2*e_3_3_2&
46612  +8*e_4_3_2 &
46613  -6*e_3_2_2)
46614  e_4_4_2 = zeta*( c1*e_3_3_2 &
46615  +c2*e_4_3_2&
46616  +10*e_5_3_2 &
46617  -6*e_4_2_2)
46618  e_5_4_2 = zeta*( c1*e_4_3_2 &
46619  +c2*e_5_3_2&
46620 
46621  )
46622  e_6_4_2 = zeta*( c1*e_5_3_2 &
46623 
46624 
46625  )
46626 
46627  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
46628  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
46629  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
46630  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
46631  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
46632  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
46633  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
46634  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
46635  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
46636  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
46637  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
46638  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
46639  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
46640  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
46641  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
46642  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
46643  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
46644  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
46645  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
46646  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
46647  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
46648  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
46649  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
46650  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
46651  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
46652  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
46653  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
46654  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
46655  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
46656  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
46657  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
46658  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
46659  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
46660  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
46661  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
46662  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
46663  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
46664  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
46665  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
46666  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
46667  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
46668  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
46669  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
46670  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
46671  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
46672  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
46673  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
46674  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
46675  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
46676  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
46677  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
46678  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
46679  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
46680  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
46681  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
46682  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
46683  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
46684  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
46685  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
46686  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
46687  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
46688  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
46689  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
46690  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
46691  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
46692  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
46693  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
46694  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
46695  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
46696  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
46697  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
46698  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
46699  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
46700  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
46701  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
46702  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
46703  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
46704  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
46705  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
46706  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
46707  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
46708  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
46709  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
46710  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
46711  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
46712  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
46713  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
46714  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
46715  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
46716  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
46717  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
46718  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
46719  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
46720  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
46721  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
46722  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
46723  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
46724  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
46725  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
46726  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
46727  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
46728  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
46729  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
46730  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
46731  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
46732  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
46733  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
46734  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
46735  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
46736  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
46737  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
46738  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
46739  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
46740  s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
46741  s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
46742  s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
46743  s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
46744  s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
46745  s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
46746  s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
46747  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
46748  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
46749  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
46750  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
46751  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
46752  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
46753  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
46754  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
46755  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
46756  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
46757  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
46758  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
46759  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
46760  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
46761  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
46762  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
46763  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
46764  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
46765  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
46766  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
46767  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
46768  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
46769  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
46770  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
46771  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
46772  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
46773  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
46774  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
46775  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
46776  s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
46777  s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
46778  s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
46779  s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
46780  s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
46781  s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
46782  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
46783  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
46784  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
46785  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
46786  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
46787  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
46788  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
46789  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
46790  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
46791  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
46792  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
46793  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
46794  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
46795  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
46796  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
46797  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
46798  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
46799  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
46800  s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
46801  s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
46802  s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
46803  s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
46804  s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
46805  s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
46806  s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
46807  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
46808  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
46809  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
46810  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
46811  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
46812  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
46813  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
46814  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
46815  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
46816  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
46817  s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
46818  s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
46819  s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
46820  s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
46821  s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
46822  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
46823  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
46824  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
46825  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
46826  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
46827  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
46828  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
46829  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
46830  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
46831  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
46832  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
46833  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
46834  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
46835  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
46836  s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
46837  s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
46838  s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
46839  s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
46840  s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
46841  s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
46842  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
46843  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
46844  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
46845  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
46846  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
46847  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
46848  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
46849  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
46850  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
46851  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
46852  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
46853  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
46854  s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
46855  s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
46856  s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
46857  s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
46858  s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
46859  s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
46860  s_r(4, 2, 3) = s_r(4, 2, 3) + e_0_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
46861  s_r(4, 2, 3) = s_r(4, 2, 3) + e_1_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
46862  s_r(4, 2, 3) = s_r(4, 2, 3) + e_2_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
46863  s_r(4, 2, 3) = s_r(4, 2, 3) + e_3_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
46864  s_r(4, 2, 3) = s_r(4, 2, 3) + e_4_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
46865  s_r(4, 2, 3) = s_r(4, 2, 3) + e_5_4_2*(-1)*s_r_t2_8 ! cost: 5 flops
46866  s_r(4, 2, 3) = s_r(4, 2, 3) + e_6_4_2*(-1)*s_r_t2_9 ! cost: 5 flops
46867  r1 = r1 + dr
46868  END DO
46869 
46870  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
46871  END SUBROUTINE
46872  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_2_4_exp_0 ( &
46873  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
46874  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
46875  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
46876  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
46877  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
46878  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
46879  r_pow_t, r_tmp, rr1_delta, rr2_delta
46880 
46881  REAL(kind=dp) :: c1, c2, c3
46882  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
46883  & s_r_t_10
46884  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
46885  & s_r_t2_9, s_r_t2_10
46886  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
46887  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
46888  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
46889  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
46890  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
46891  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
46892  & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10
46893  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
46894  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
46895  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
46896  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
46897  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2
46898 
46899 
46900  dr = lgth
46901  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
46902 
46903  s_r(:, :, :) = 0.0_dp
46904 
46905  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
46906 
46907  h_to_c_0_0 = sqrt(alpha/pi)
46908 
46909  h_to_c_0_1 = 0.0_dp
46910  h_to_c_1_1 = +2*alpha*h_to_c_0_0
46911  h_to_c_0_2 = -1*h_to_c_1_1
46912  h_to_c_1_2 = +2*alpha*h_to_c_0_1
46913  h_to_c_2_2 = +2*alpha*h_to_c_1_1
46914  h_to_c_0_3 = -1*h_to_c_1_2
46915  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
46916  h_to_c_2_3 = +2*alpha*h_to_c_1_2
46917  h_to_c_3_3 = +2*alpha*h_to_c_2_2
46918  h_to_c_0_4 = -1*h_to_c_1_3
46919  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
46920  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
46921  h_to_c_3_4 = +2*alpha*h_to_c_2_3
46922  h_to_c_4_4 = +2*alpha*h_to_c_3_3
46923  h_to_c_0_5 = -1*h_to_c_1_4
46924  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
46925  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
46926  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
46927  h_to_c_4_5 = +2*alpha*h_to_c_3_4
46928  h_to_c_5_5 = +2*alpha*h_to_c_4_4
46929  h_to_c_0_6 = -1*h_to_c_1_5
46930  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
46931  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
46932  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
46933  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
46934  h_to_c_5_6 = +2*alpha*h_to_c_4_5
46935  h_to_c_6_6 = +2*alpha*h_to_c_5_5
46936  h_to_c_0_7 = -1*h_to_c_1_6
46937  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
46938  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
46939  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
46940  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
46941  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
46942  h_to_c_6_7 = +2*alpha*h_to_c_5_6
46943  h_to_c_7_7 = +2*alpha*h_to_c_6_6
46944  h_to_c_0_8 = -1*h_to_c_1_7
46945  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
46946  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
46947  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
46948  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
46949  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
46950  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
46951  h_to_c_7_8 = +2*alpha*h_to_c_6_7
46952  h_to_c_8_8 = +2*alpha*h_to_c_7_7
46953  h_to_c_0_9 = -1*h_to_c_1_8
46954  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
46955  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
46956  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
46957  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
46958  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
46959  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
46960  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
46961  h_to_c_8_9 = +2*alpha*h_to_c_7_8
46962  h_to_c_9_9 = +2*alpha*h_to_c_8_8
46963  h_to_c_0_10 = -1*h_to_c_1_9
46964  h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
46965  h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
46966  h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
46967  h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
46968  h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
46969  h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
46970  h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
46971  h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
46972  h_to_c_9_10 = +2*alpha*h_to_c_8_9
46973  h_to_c_10_10 = +2*alpha*h_to_c_9_9
46974 
46975 
46976  rr1_delta = (ra - rb)/dr
46977 
46978  rr1_l = ceiling(-r_c(1) + rr1_delta)
46979  rr1_r = floor(r_c(1) + rr1_delta)
46980 
46981  r1 = rr1_l*dr
46982 
46983  alpha_e = zeta*zetb/(zeta + zetb)
46984 
46985  DO rr1 = rr1_l, rr1_r
46986  s_r_t_0 = 0.0_dp
46987  s_r_t2_0 = 0.0_dp
46988  s_r_t_1 = 0.0_dp
46989  s_r_t2_1 = 0.0_dp
46990  s_r_t_2 = 0.0_dp
46991  s_r_t2_2 = 0.0_dp
46992  s_r_t_3 = 0.0_dp
46993  s_r_t2_3 = 0.0_dp
46994  s_r_t_4 = 0.0_dp
46995  s_r_t2_4 = 0.0_dp
46996  s_r_t_5 = 0.0_dp
46997  s_r_t2_5 = 0.0_dp
46998  s_r_t_6 = 0.0_dp
46999  s_r_t2_6 = 0.0_dp
47000  s_r_t_7 = 0.0_dp
47001  s_r_t2_7 = 0.0_dp
47002  s_r_t_8 = 0.0_dp
47003  s_r_t2_8 = 0.0_dp
47004  s_r_t_9 = 0.0_dp
47005  s_r_t2_9 = 0.0_dp
47006  s_r_t_10 = 0.0_dp
47007  s_r_t2_10 = 0.0_dp
47008  r_tmp = r_offset + r1*zeta/(zeta + zetb)
47009  rr2_delta = -r_tmp/dr
47010 
47011  rr2_l = ceiling(-r_c(2) + rr2_delta)
47012  rr2_r = floor(r_c(2) + rr2_delta)
47013 
47014  r = r_tmp + (rr2_l)*dr
47015 
47016 
47017  DO rr2 = rr2_l, rr2_r
47018  r_pow_t = 1.0_dp
47019  exp2_rsq = exp(-alpha*r*r)
47020  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
47021  r_pow_t = r_pow_t*r
47022  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
47023  r_pow_t = r_pow_t*r
47024  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
47025  r_pow_t = r_pow_t*r
47026  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
47027  r_pow_t = r_pow_t*r
47028  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
47029  r_pow_t = r_pow_t*r
47030  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
47031  r_pow_t = r_pow_t*r
47032  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
47033  r_pow_t = r_pow_t*r
47034  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
47035  r_pow_t = r_pow_t*r
47036  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
47037  r_pow_t = r_pow_t*r
47038  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
47039  r_pow_t = r_pow_t*r
47040  s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
47041 
47042  r = r + dr
47043  END DO
47044 
47045  ! C --> H
47046  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
47047  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
47048  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
47049  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
47050  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
47051  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
47052  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
47053  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
47054  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
47055  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
47056  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
47057  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
47058  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
47059  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
47060  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
47061  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
47062  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
47063  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
47064  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
47065  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
47066  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
47067  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
47068  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
47069  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
47070  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
47071  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
47072  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
47073  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
47074  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
47075  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
47076  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
47077  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
47078  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
47079  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
47080  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
47081  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
47082  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
47083  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
47084  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
47085  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
47086  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
47087  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
47088  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
47089  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
47090  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
47091  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
47092  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
47093  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
47094  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
47095  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
47096  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
47097  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
47098  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
47099  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
47100  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
47101  s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
47102  s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
47103  s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
47104  s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
47105  s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
47106  s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
47107  s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
47108  s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
47109  s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
47110  s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
47111  s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
47112 
47113  ! H --> HH
47114  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
47115 
47116  c1 = 1.0_dp/(zeta + zetb)
47117  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
47118  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
47119 
47120  e_0_1_0 = zeta*( &
47121  +c2*e_0_0_0&
47122 
47123  )
47124  e_0_0_1 = zetb*( &
47125  +c3*e_0_0_0&
47126 
47127  )
47128  e_1_1_0 = zeta*( c1*e_0_0_0 &
47129 
47130 
47131  )
47132  e_1_0_1 = zetb*( c1*e_0_0_0 &
47133 
47134 
47135  )
47136  e_0_2_0 = zeta*( &
47137  +c2*e_0_1_0&
47138  +2*e_1_1_0 &
47139  -2*e_0_0_0)
47140  e_0_1_1 = zetb*( &
47141  +c3*e_0_1_0&
47142  +2*e_1_1_0 &
47143  )
47144  e_1_2_0 = zeta*( c1*e_0_1_0 &
47145  +c2*e_1_1_0&
47146 
47147  )
47148  e_1_1_1 = zetb*( c1*e_0_1_0 &
47149  +c3*e_1_1_0&
47150 
47151  )
47152  e_2_2_0 = zeta*( c1*e_1_1_0 &
47153 
47154 
47155  )
47156  e_2_1_1 = zetb*( c1*e_1_1_0 &
47157 
47158 
47159  )
47160  e_0_3_0 = zeta*( &
47161  +c2*e_0_2_0&
47162  +2*e_1_2_0 &
47163  -4*e_0_1_0)
47164  e_0_2_1 = zetb*( &
47165  +c3*e_0_2_0&
47166  +2*e_1_2_0 &
47167  )
47168  e_1_3_0 = zeta*( c1*e_0_2_0 &
47169  +c2*e_1_2_0&
47170  +4*e_2_2_0 &
47171  -4*e_1_1_0)
47172  e_1_2_1 = zetb*( c1*e_0_2_0 &
47173  +c3*e_1_2_0&
47174  +4*e_2_2_0 &
47175  )
47176  e_2_3_0 = zeta*( c1*e_1_2_0 &
47177  +c2*e_2_2_0&
47178 
47179  )
47180  e_2_2_1 = zetb*( c1*e_1_2_0 &
47181  +c3*e_2_2_0&
47182 
47183  )
47184  e_3_3_0 = zeta*( c1*e_2_2_0 &
47185 
47186 
47187  )
47188  e_3_2_1 = zetb*( c1*e_2_2_0 &
47189 
47190 
47191  )
47192  e_0_4_0 = zeta*( &
47193  +c2*e_0_3_0&
47194  +2*e_1_3_0 &
47195  -6*e_0_2_0)
47196  e_0_3_1 = zetb*( &
47197  +c3*e_0_3_0&
47198  +2*e_1_3_0 &
47199  )
47200  e_1_4_0 = zeta*( c1*e_0_3_0 &
47201  +c2*e_1_3_0&
47202  +4*e_2_3_0 &
47203  -6*e_1_2_0)
47204  e_1_3_1 = zetb*( c1*e_0_3_0 &
47205  +c3*e_1_3_0&
47206  +4*e_2_3_0 &
47207  )
47208  e_2_4_0 = zeta*( c1*e_1_3_0 &
47209  +c2*e_2_3_0&
47210  +6*e_3_3_0 &
47211  -6*e_2_2_0)
47212  e_2_3_1 = zetb*( c1*e_1_3_0 &
47213  +c3*e_2_3_0&
47214  +6*e_3_3_0 &
47215  )
47216  e_3_4_0 = zeta*( c1*e_2_3_0 &
47217  +c2*e_3_3_0&
47218 
47219  )
47220  e_3_3_1 = zetb*( c1*e_2_3_0 &
47221  +c3*e_3_3_0&
47222 
47223  )
47224  e_4_4_0 = zeta*( c1*e_3_3_0 &
47225 
47226 
47227  )
47228  e_4_3_1 = zetb*( c1*e_3_3_0 &
47229 
47230 
47231  )
47232  e_0_4_1 = zetb*( &
47233  +c3*e_0_4_0&
47234  +2*e_1_4_0 &
47235  )
47236  e_1_4_1 = zetb*( c1*e_0_4_0 &
47237  +c3*e_1_4_0&
47238  +4*e_2_4_0 &
47239  )
47240  e_2_4_1 = zetb*( c1*e_1_4_0 &
47241  +c3*e_2_4_0&
47242  +6*e_3_4_0 &
47243  )
47244  e_3_4_1 = zetb*( c1*e_2_4_0 &
47245  +c3*e_3_4_0&
47246  +8*e_4_4_0 &
47247  )
47248  e_4_4_1 = zetb*( c1*e_3_4_0 &
47249  +c3*e_4_4_0&
47250 
47251  )
47252  e_5_4_1 = zetb*( c1*e_4_4_0 &
47253 
47254 
47255  )
47256  e_0_1_1 = zeta*( &
47257  +c2*e_0_0_1&
47258  +2*e_1_0_1 &
47259  )
47260  e_0_0_2 = zetb*( &
47261  +c3*e_0_0_1&
47262  +2*e_1_0_1 &
47263  -2*e_0_0_0)
47264  e_1_1_1 = zeta*( c1*e_0_0_1 &
47265  +c2*e_1_0_1&
47266 
47267  )
47268  e_1_0_2 = zetb*( c1*e_0_0_1 &
47269  +c3*e_1_0_1&
47270 
47271  )
47272  e_2_1_1 = zeta*( c1*e_1_0_1 &
47273 
47274 
47275  )
47276  e_2_0_2 = zetb*( c1*e_1_0_1 &
47277 
47278 
47279  )
47280  e_0_2_1 = zeta*( &
47281  +c2*e_0_1_1&
47282  +2*e_1_1_1 &
47283  -2*e_0_0_1)
47284  e_0_1_2 = zetb*( &
47285  +c3*e_0_1_1&
47286  +2*e_1_1_1 &
47287  -2*e_0_1_0)
47288  e_1_2_1 = zeta*( c1*e_0_1_1 &
47289  +c2*e_1_1_1&
47290  +4*e_2_1_1 &
47291  -2*e_1_0_1)
47292  e_1_1_2 = zetb*( c1*e_0_1_1 &
47293  +c3*e_1_1_1&
47294  +4*e_2_1_1 &
47295  -2*e_1_1_0)
47296  e_2_2_1 = zeta*( c1*e_1_1_1 &
47297  +c2*e_2_1_1&
47298 
47299  )
47300  e_2_1_2 = zetb*( c1*e_1_1_1 &
47301  +c3*e_2_1_1&
47302 
47303  )
47304  e_3_2_1 = zeta*( c1*e_2_1_1 &
47305 
47306 
47307  )
47308  e_3_1_2 = zetb*( c1*e_2_1_1 &
47309 
47310 
47311  )
47312  e_0_3_1 = zeta*( &
47313  +c2*e_0_2_1&
47314  +2*e_1_2_1 &
47315  -4*e_0_1_1)
47316  e_0_2_2 = zetb*( &
47317  +c3*e_0_2_1&
47318  +2*e_1_2_1 &
47319  -2*e_0_2_0)
47320  e_1_3_1 = zeta*( c1*e_0_2_1 &
47321  +c2*e_1_2_1&
47322  +4*e_2_2_1 &
47323  -4*e_1_1_1)
47324  e_1_2_2 = zetb*( c1*e_0_2_1 &
47325  +c3*e_1_2_1&
47326  +4*e_2_2_1 &
47327  -2*e_1_2_0)
47328  e_2_3_1 = zeta*( c1*e_1_2_1 &
47329  +c2*e_2_2_1&
47330  +6*e_3_2_1 &
47331  -4*e_2_1_1)
47332  e_2_2_2 = zetb*( c1*e_1_2_1 &
47333  +c3*e_2_2_1&
47334  +6*e_3_2_1 &
47335  -2*e_2_2_0)
47336  e_3_3_1 = zeta*( c1*e_2_2_1 &
47337  +c2*e_3_2_1&
47338 
47339  )
47340  e_3_2_2 = zetb*( c1*e_2_2_1 &
47341  +c3*e_3_2_1&
47342 
47343  )
47344  e_4_3_1 = zeta*( c1*e_3_2_1 &
47345 
47346 
47347  )
47348  e_4_2_2 = zetb*( c1*e_3_2_1 &
47349 
47350 
47351  )
47352  e_0_4_1 = zeta*( &
47353  +c2*e_0_3_1&
47354  +2*e_1_3_1 &
47355  -6*e_0_2_1)
47356  e_0_3_2 = zetb*( &
47357  +c3*e_0_3_1&
47358  +2*e_1_3_1 &
47359  -2*e_0_3_0)
47360  e_1_4_1 = zeta*( c1*e_0_3_1 &
47361  +c2*e_1_3_1&
47362  +4*e_2_3_1 &
47363  -6*e_1_2_1)
47364  e_1_3_2 = zetb*( c1*e_0_3_1 &
47365  +c3*e_1_3_1&
47366  +4*e_2_3_1 &
47367  -2*e_1_3_0)
47368  e_2_4_1 = zeta*( c1*e_1_3_1 &
47369  +c2*e_2_3_1&
47370  +6*e_3_3_1 &
47371  -6*e_2_2_1)
47372  e_2_3_2 = zetb*( c1*e_1_3_1 &
47373  +c3*e_2_3_1&
47374  +6*e_3_3_1 &
47375  -2*e_2_3_0)
47376  e_3_4_1 = zeta*( c1*e_2_3_1 &
47377  +c2*e_3_3_1&
47378  +8*e_4_3_1 &
47379  -6*e_3_2_1)
47380  e_3_3_2 = zetb*( c1*e_2_3_1 &
47381  +c3*e_3_3_1&
47382  +8*e_4_3_1 &
47383  -2*e_3_3_0)
47384  e_4_4_1 = zeta*( c1*e_3_3_1 &
47385  +c2*e_4_3_1&
47386 
47387  )
47388  e_4_3_2 = zetb*( c1*e_3_3_1 &
47389  +c3*e_4_3_1&
47390 
47391  )
47392  e_5_4_1 = zeta*( c1*e_4_3_1 &
47393 
47394 
47395  )
47396  e_5_3_2 = zetb*( c1*e_4_3_1 &
47397 
47398 
47399  )
47400  e_0_4_2 = zetb*( &
47401  +c3*e_0_4_1&
47402  +2*e_1_4_1 &
47403  -2*e_0_4_0)
47404  e_1_4_2 = zetb*( c1*e_0_4_1 &
47405  +c3*e_1_4_1&
47406  +4*e_2_4_1 &
47407  -2*e_1_4_0)
47408  e_2_4_2 = zetb*( c1*e_1_4_1 &
47409  +c3*e_2_4_1&
47410  +6*e_3_4_1 &
47411  -2*e_2_4_0)
47412  e_3_4_2 = zetb*( c1*e_2_4_1 &
47413  +c3*e_3_4_1&
47414  +8*e_4_4_1 &
47415  -2*e_3_4_0)
47416  e_4_4_2 = zetb*( c1*e_3_4_1 &
47417  +c3*e_4_4_1&
47418  +10*e_5_4_1 &
47419  -2*e_4_4_0)
47420  e_5_4_2 = zetb*( c1*e_4_4_1 &
47421  +c3*e_5_4_1&
47422 
47423  )
47424  e_6_4_2 = zetb*( c1*e_5_4_1 &
47425 
47426 
47427  )
47428  e_0_1_2 = zeta*( &
47429  +c2*e_0_0_2&
47430  +2*e_1_0_2 &
47431  )
47432  e_1_1_2 = zeta*( c1*e_0_0_2 &
47433  +c2*e_1_0_2&
47434  +4*e_2_0_2 &
47435  )
47436  e_2_1_2 = zeta*( c1*e_1_0_2 &
47437  +c2*e_2_0_2&
47438 
47439  )
47440  e_3_1_2 = zeta*( c1*e_2_0_2 &
47441 
47442 
47443  )
47444  e_0_2_2 = zeta*( &
47445  +c2*e_0_1_2&
47446  +2*e_1_1_2 &
47447  -2*e_0_0_2)
47448  e_1_2_2 = zeta*( c1*e_0_1_2 &
47449  +c2*e_1_1_2&
47450  +4*e_2_1_2 &
47451  -2*e_1_0_2)
47452  e_2_2_2 = zeta*( c1*e_1_1_2 &
47453  +c2*e_2_1_2&
47454  +6*e_3_1_2 &
47455  -2*e_2_0_2)
47456  e_3_2_2 = zeta*( c1*e_2_1_2 &
47457  +c2*e_3_1_2&
47458 
47459  )
47460  e_4_2_2 = zeta*( c1*e_3_1_2 &
47461 
47462 
47463  )
47464  e_0_3_2 = zeta*( &
47465  +c2*e_0_2_2&
47466  +2*e_1_2_2 &
47467  -4*e_0_1_2)
47468  e_1_3_2 = zeta*( c1*e_0_2_2 &
47469  +c2*e_1_2_2&
47470  +4*e_2_2_2 &
47471  -4*e_1_1_2)
47472  e_2_3_2 = zeta*( c1*e_1_2_2 &
47473  +c2*e_2_2_2&
47474  +6*e_3_2_2 &
47475  -4*e_2_1_2)
47476  e_3_3_2 = zeta*( c1*e_2_2_2 &
47477  +c2*e_3_2_2&
47478  +8*e_4_2_2 &
47479  -4*e_3_1_2)
47480  e_4_3_2 = zeta*( c1*e_3_2_2 &
47481  +c2*e_4_2_2&
47482 
47483  )
47484  e_5_3_2 = zeta*( c1*e_4_2_2 &
47485 
47486 
47487  )
47488  e_0_4_2 = zeta*( &
47489  +c2*e_0_3_2&
47490  +2*e_1_3_2 &
47491  -6*e_0_2_2)
47492  e_1_4_2 = zeta*( c1*e_0_3_2 &
47493  +c2*e_1_3_2&
47494  +4*e_2_3_2 &
47495  -6*e_1_2_2)
47496  e_2_4_2 = zeta*( c1*e_1_3_2 &
47497  +c2*e_2_3_2&
47498  +6*e_3_3_2 &
47499  -6*e_2_2_2)
47500  e_3_4_2 = zeta*( c1*e_2_3_2 &
47501  +c2*e_3_3_2&
47502  +8*e_4_3_2 &
47503  -6*e_3_2_2)
47504  e_4_4_2 = zeta*( c1*e_3_3_2 &
47505  +c2*e_4_3_2&
47506  +10*e_5_3_2 &
47507  -6*e_4_2_2)
47508  e_5_4_2 = zeta*( c1*e_4_3_2 &
47509  +c2*e_5_3_2&
47510 
47511  )
47512  e_6_4_2 = zeta*( c1*e_5_3_2 &
47513 
47514 
47515  )
47516 
47517  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
47518  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
47519  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
47520  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
47521  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
47522  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
47523  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
47524  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
47525  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
47526  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
47527  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
47528  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
47529  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
47530  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
47531  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
47532  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
47533  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
47534  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
47535  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
47536  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
47537  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
47538  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
47539  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
47540  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
47541  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
47542  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
47543  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
47544  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
47545  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
47546  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
47547  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
47548  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
47549  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
47550  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
47551  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
47552  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
47553  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
47554  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
47555  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
47556  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
47557  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
47558  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
47559  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
47560  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
47561  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
47562  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
47563  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
47564  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
47565  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
47566  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
47567  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
47568  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
47569  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
47570  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
47571  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
47572  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
47573  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
47574  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
47575  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
47576  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
47577  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
47578  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
47579  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
47580  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
47581  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
47582  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
47583  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
47584  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
47585  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
47586  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
47587  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
47588  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
47589  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
47590  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
47591  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
47592  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
47593  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
47594  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
47595  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
47596  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
47597  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
47598  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
47599  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
47600  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
47601  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
47602  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
47603  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
47604  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
47605  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
47606  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
47607  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
47608  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
47609  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
47610  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
47611  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
47612  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
47613  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
47614  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
47615  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
47616  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
47617  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
47618  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
47619  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
47620  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
47621  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
47622  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
47623  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
47624  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
47625  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
47626  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
47627  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
47628  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
47629  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
47630  s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
47631  s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
47632  s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
47633  s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
47634  s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
47635  s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
47636  s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
47637  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
47638  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
47639  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
47640  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
47641  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
47642  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
47643  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
47644  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
47645  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
47646  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
47647  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
47648  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
47649  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
47650  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
47651  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
47652  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
47653  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
47654  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
47655  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
47656  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
47657  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
47658  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
47659  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
47660  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
47661  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
47662  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
47663  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
47664  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
47665  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
47666  s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
47667  s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
47668  s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
47669  s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
47670  s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
47671  s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
47672  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
47673  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
47674  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
47675  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
47676  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
47677  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
47678  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
47679  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
47680  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
47681  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
47682  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
47683  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
47684  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
47685  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
47686  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
47687  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
47688  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
47689  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
47690  s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
47691  s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
47692  s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
47693  s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
47694  s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
47695  s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
47696  s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
47697  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
47698  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
47699  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
47700  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
47701  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
47702  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
47703  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
47704  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
47705  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
47706  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
47707  s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
47708  s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
47709  s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
47710  s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
47711  s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
47712  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
47713  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
47714  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
47715  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
47716  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
47717  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
47718  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
47719  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
47720  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
47721  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
47722  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
47723  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
47724  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
47725  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
47726  s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
47727  s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
47728  s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
47729  s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
47730  s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
47731  s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
47732  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
47733  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
47734  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
47735  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
47736  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
47737  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
47738  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
47739  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
47740  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
47741  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
47742  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
47743  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
47744  s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
47745  s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
47746  s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
47747  s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
47748  s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
47749  s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
47750  s_r(4, 2, 3) = s_r(4, 2, 3) + e_0_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
47751  s_r(4, 2, 3) = s_r(4, 2, 3) + e_1_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
47752  s_r(4, 2, 3) = s_r(4, 2, 3) + e_2_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
47753  s_r(4, 2, 3) = s_r(4, 2, 3) + e_3_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
47754  s_r(4, 2, 3) = s_r(4, 2, 3) + e_4_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
47755  s_r(4, 2, 3) = s_r(4, 2, 3) + e_5_4_2*(-1)*s_r_t2_8 ! cost: 5 flops
47756  s_r(4, 2, 3) = s_r(4, 2, 3) + e_6_4_2*(-1)*s_r_t2_9 ! cost: 5 flops
47757  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
47758  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
47759  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
47760  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
47761  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
47762  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
47763  s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
47764  s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
47765  s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
47766  s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
47767  s_r(4, 0, 4) = s_r(4, 0, 4) + e_0_4_0*(1)*s_r_t2_4 ! cost: 5 flops
47768  s_r(4, 0, 4) = s_r(4, 0, 4) + e_1_4_0*(1)*s_r_t2_5 ! cost: 5 flops
47769  s_r(4, 0, 4) = s_r(4, 0, 4) + e_2_4_0*(1)*s_r_t2_6 ! cost: 5 flops
47770  s_r(4, 0, 4) = s_r(4, 0, 4) + e_3_4_0*(1)*s_r_t2_7 ! cost: 5 flops
47771  s_r(4, 0, 4) = s_r(4, 0, 4) + e_4_4_0*(1)*s_r_t2_8 ! cost: 5 flops
47772  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
47773  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
47774  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
47775  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
47776  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
47777  s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
47778  s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
47779  s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
47780  s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
47781  s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
47782  s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
47783  s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
47784  s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
47785  s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
47786  s_r(4, 1, 4) = s_r(4, 1, 4) + e_0_4_1*(1)*s_r_t2_4 ! cost: 5 flops
47787  s_r(4, 1, 4) = s_r(4, 1, 4) + e_1_4_1*(1)*s_r_t2_5 ! cost: 5 flops
47788  s_r(4, 1, 4) = s_r(4, 1, 4) + e_2_4_1*(1)*s_r_t2_6 ! cost: 5 flops
47789  s_r(4, 1, 4) = s_r(4, 1, 4) + e_3_4_1*(1)*s_r_t2_7 ! cost: 5 flops
47790  s_r(4, 1, 4) = s_r(4, 1, 4) + e_4_4_1*(1)*s_r_t2_8 ! cost: 5 flops
47791  s_r(4, 1, 4) = s_r(4, 1, 4) + e_5_4_1*(1)*s_r_t2_9 ! cost: 5 flops
47792  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
47793  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
47794  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
47795  s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
47796  s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
47797  s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
47798  s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
47799  s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
47800  s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
47801  s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
47802  s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
47803  s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
47804  s_r(3, 2, 4) = s_r(3, 2, 4) + e_0_3_2*(1)*s_r_t2_4 ! cost: 5 flops
47805  s_r(3, 2, 4) = s_r(3, 2, 4) + e_1_3_2*(1)*s_r_t2_5 ! cost: 5 flops
47806  s_r(3, 2, 4) = s_r(3, 2, 4) + e_2_3_2*(1)*s_r_t2_6 ! cost: 5 flops
47807  s_r(3, 2, 4) = s_r(3, 2, 4) + e_3_3_2*(1)*s_r_t2_7 ! cost: 5 flops
47808  s_r(3, 2, 4) = s_r(3, 2, 4) + e_4_3_2*(1)*s_r_t2_8 ! cost: 5 flops
47809  s_r(3, 2, 4) = s_r(3, 2, 4) + e_5_3_2*(1)*s_r_t2_9 ! cost: 5 flops
47810  s_r(4, 2, 4) = s_r(4, 2, 4) + e_0_4_2*(1)*s_r_t2_4 ! cost: 5 flops
47811  s_r(4, 2, 4) = s_r(4, 2, 4) + e_1_4_2*(1)*s_r_t2_5 ! cost: 5 flops
47812  s_r(4, 2, 4) = s_r(4, 2, 4) + e_2_4_2*(1)*s_r_t2_6 ! cost: 5 flops
47813  s_r(4, 2, 4) = s_r(4, 2, 4) + e_3_4_2*(1)*s_r_t2_7 ! cost: 5 flops
47814  s_r(4, 2, 4) = s_r(4, 2, 4) + e_4_4_2*(1)*s_r_t2_8 ! cost: 5 flops
47815  s_r(4, 2, 4) = s_r(4, 2, 4) + e_5_4_2*(1)*s_r_t2_9 ! cost: 5 flops
47816  s_r(4, 2, 4) = s_r(4, 2, 4) + e_6_4_2*(1)*s_r_t2_10 ! cost: 5 flops
47817  r1 = r1 + dr
47818  END DO
47819 
47820  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
47821  END SUBROUTINE
47822  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_3_0_exp_0 ( &
47823  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
47824  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
47825  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
47826  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
47827  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
47828  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
47829  r_pow_t, r_tmp, rr1_delta, rr2_delta
47830 
47831  REAL(kind=dp) :: c1, c2, c3
47832  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
47833  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
47834  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
47835  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
47836  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
47837  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
47838  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
47839  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
47840  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
47841  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
47842  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
47843  & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
47844  & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3
47845 
47846 
47847  dr = lgth
47848  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
47849 
47850  s_r(:, :, :) = 0.0_dp
47851 
47852  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
47853 
47854  h_to_c_0_0 = sqrt(alpha/pi)
47855 
47856  h_to_c_0_1 = 0.0_dp
47857  h_to_c_1_1 = +2*alpha*h_to_c_0_0
47858  h_to_c_0_2 = -1*h_to_c_1_1
47859  h_to_c_1_2 = +2*alpha*h_to_c_0_1
47860  h_to_c_2_2 = +2*alpha*h_to_c_1_1
47861  h_to_c_0_3 = -1*h_to_c_1_2
47862  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
47863  h_to_c_2_3 = +2*alpha*h_to_c_1_2
47864  h_to_c_3_3 = +2*alpha*h_to_c_2_2
47865  h_to_c_0_4 = -1*h_to_c_1_3
47866  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
47867  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
47868  h_to_c_3_4 = +2*alpha*h_to_c_2_3
47869  h_to_c_4_4 = +2*alpha*h_to_c_3_3
47870  h_to_c_0_5 = -1*h_to_c_1_4
47871  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
47872  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
47873  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
47874  h_to_c_4_5 = +2*alpha*h_to_c_3_4
47875  h_to_c_5_5 = +2*alpha*h_to_c_4_4
47876  h_to_c_0_6 = -1*h_to_c_1_5
47877  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
47878  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
47879  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
47880  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
47881  h_to_c_5_6 = +2*alpha*h_to_c_4_5
47882  h_to_c_6_6 = +2*alpha*h_to_c_5_5
47883  h_to_c_0_7 = -1*h_to_c_1_6
47884  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
47885  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
47886  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
47887  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
47888  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
47889  h_to_c_6_7 = +2*alpha*h_to_c_5_6
47890  h_to_c_7_7 = +2*alpha*h_to_c_6_6
47891 
47892 
47893  rr1_delta = (ra - rb)/dr
47894 
47895  rr1_l = ceiling(-r_c(1) + rr1_delta)
47896  rr1_r = floor(r_c(1) + rr1_delta)
47897 
47898  r1 = rr1_l*dr
47899 
47900  alpha_e = zeta*zetb/(zeta + zetb)
47901 
47902  DO rr1 = rr1_l, rr1_r
47903  s_r_t_0 = 0.0_dp
47904  s_r_t2_0 = 0.0_dp
47905  s_r_t_1 = 0.0_dp
47906  s_r_t2_1 = 0.0_dp
47907  s_r_t_2 = 0.0_dp
47908  s_r_t2_2 = 0.0_dp
47909  s_r_t_3 = 0.0_dp
47910  s_r_t2_3 = 0.0_dp
47911  s_r_t_4 = 0.0_dp
47912  s_r_t2_4 = 0.0_dp
47913  s_r_t_5 = 0.0_dp
47914  s_r_t2_5 = 0.0_dp
47915  s_r_t_6 = 0.0_dp
47916  s_r_t2_6 = 0.0_dp
47917  s_r_t_7 = 0.0_dp
47918  s_r_t2_7 = 0.0_dp
47919  r_tmp = r_offset + r1*zeta/(zeta + zetb)
47920  rr2_delta = -r_tmp/dr
47921 
47922  rr2_l = ceiling(-r_c(2) + rr2_delta)
47923  rr2_r = floor(r_c(2) + rr2_delta)
47924 
47925  r = r_tmp + (rr2_l)*dr
47926 
47927 
47928  DO rr2 = rr2_l, rr2_r
47929  r_pow_t = 1.0_dp
47930  exp2_rsq = exp(-alpha*r*r)
47931  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
47932  r_pow_t = r_pow_t*r
47933  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
47934  r_pow_t = r_pow_t*r
47935  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
47936  r_pow_t = r_pow_t*r
47937  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
47938  r_pow_t = r_pow_t*r
47939  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
47940  r_pow_t = r_pow_t*r
47941  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
47942  r_pow_t = r_pow_t*r
47943  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
47944  r_pow_t = r_pow_t*r
47945  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
47946 
47947  r = r + dr
47948  END DO
47949 
47950  ! C --> H
47951  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
47952  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
47953  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
47954  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
47955  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
47956  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
47957  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
47958  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
47959  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
47960  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
47961  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
47962  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
47963  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
47964  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
47965  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
47966  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
47967  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
47968  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
47969  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
47970  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
47971  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
47972  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
47973  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
47974  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
47975  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
47976  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
47977  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
47978  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
47979  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
47980  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
47981  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
47982  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
47983  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
47984  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
47985  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
47986  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
47987 
47988  ! H --> HH
47989  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
47990 
47991  c1 = 1.0_dp/(zeta + zetb)
47992  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
47993  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
47994 
47995  e_0_1_0 = zeta*( &
47996  +c2*e_0_0_0&
47997 
47998  )
47999  e_0_0_1 = zetb*( &
48000  +c3*e_0_0_0&
48001 
48002  )
48003  e_1_1_0 = zeta*( c1*e_0_0_0 &
48004 
48005 
48006  )
48007  e_1_0_1 = zetb*( c1*e_0_0_0 &
48008 
48009 
48010  )
48011  e_0_2_0 = zeta*( &
48012  +c2*e_0_1_0&
48013  +2*e_1_1_0 &
48014  -2*e_0_0_0)
48015  e_0_1_1 = zetb*( &
48016  +c3*e_0_1_0&
48017  +2*e_1_1_0 &
48018  )
48019  e_1_2_0 = zeta*( c1*e_0_1_0 &
48020  +c2*e_1_1_0&
48021 
48022  )
48023  e_1_1_1 = zetb*( c1*e_0_1_0 &
48024  +c3*e_1_1_0&
48025 
48026  )
48027  e_2_2_0 = zeta*( c1*e_1_1_0 &
48028 
48029 
48030  )
48031  e_2_1_1 = zetb*( c1*e_1_1_0 &
48032 
48033 
48034  )
48035  e_0_3_0 = zeta*( &
48036  +c2*e_0_2_0&
48037  +2*e_1_2_0 &
48038  -4*e_0_1_0)
48039  e_0_2_1 = zetb*( &
48040  +c3*e_0_2_0&
48041  +2*e_1_2_0 &
48042  )
48043  e_1_3_0 = zeta*( c1*e_0_2_0 &
48044  +c2*e_1_2_0&
48045  +4*e_2_2_0 &
48046  -4*e_1_1_0)
48047  e_1_2_1 = zetb*( c1*e_0_2_0 &
48048  +c3*e_1_2_0&
48049  +4*e_2_2_0 &
48050  )
48051  e_2_3_0 = zeta*( c1*e_1_2_0 &
48052  +c2*e_2_2_0&
48053 
48054  )
48055  e_2_2_1 = zetb*( c1*e_1_2_0 &
48056  +c3*e_2_2_0&
48057 
48058  )
48059  e_3_3_0 = zeta*( c1*e_2_2_0 &
48060 
48061 
48062  )
48063  e_3_2_1 = zetb*( c1*e_2_2_0 &
48064 
48065 
48066  )
48067  e_0_4_0 = zeta*( &
48068  +c2*e_0_3_0&
48069  +2*e_1_3_0 &
48070  -6*e_0_2_0)
48071  e_0_3_1 = zetb*( &
48072  +c3*e_0_3_0&
48073  +2*e_1_3_0 &
48074  )
48075  e_1_4_0 = zeta*( c1*e_0_3_0 &
48076  +c2*e_1_3_0&
48077  +4*e_2_3_0 &
48078  -6*e_1_2_0)
48079  e_1_3_1 = zetb*( c1*e_0_3_0 &
48080  +c3*e_1_3_0&
48081  +4*e_2_3_0 &
48082  )
48083  e_2_4_0 = zeta*( c1*e_1_3_0 &
48084  +c2*e_2_3_0&
48085  +6*e_3_3_0 &
48086  -6*e_2_2_0)
48087  e_2_3_1 = zetb*( c1*e_1_3_0 &
48088  +c3*e_2_3_0&
48089  +6*e_3_3_0 &
48090  )
48091  e_3_4_0 = zeta*( c1*e_2_3_0 &
48092  +c2*e_3_3_0&
48093 
48094  )
48095  e_3_3_1 = zetb*( c1*e_2_3_0 &
48096  +c3*e_3_3_0&
48097 
48098  )
48099  e_4_4_0 = zeta*( c1*e_3_3_0 &
48100 
48101 
48102  )
48103  e_4_3_1 = zetb*( c1*e_3_3_0 &
48104 
48105 
48106  )
48107  e_0_4_1 = zetb*( &
48108  +c3*e_0_4_0&
48109  +2*e_1_4_0 &
48110  )
48111  e_1_4_1 = zetb*( c1*e_0_4_0 &
48112  +c3*e_1_4_0&
48113  +4*e_2_4_0 &
48114  )
48115  e_2_4_1 = zetb*( c1*e_1_4_0 &
48116  +c3*e_2_4_0&
48117  +6*e_3_4_0 &
48118  )
48119  e_3_4_1 = zetb*( c1*e_2_4_0 &
48120  +c3*e_3_4_0&
48121  +8*e_4_4_0 &
48122  )
48123  e_4_4_1 = zetb*( c1*e_3_4_0 &
48124  +c3*e_4_4_0&
48125 
48126  )
48127  e_5_4_1 = zetb*( c1*e_4_4_0 &
48128 
48129 
48130  )
48131  e_0_1_1 = zeta*( &
48132  +c2*e_0_0_1&
48133  +2*e_1_0_1 &
48134  )
48135  e_0_0_2 = zetb*( &
48136  +c3*e_0_0_1&
48137  +2*e_1_0_1 &
48138  -2*e_0_0_0)
48139  e_1_1_1 = zeta*( c1*e_0_0_1 &
48140  +c2*e_1_0_1&
48141 
48142  )
48143  e_1_0_2 = zetb*( c1*e_0_0_1 &
48144  +c3*e_1_0_1&
48145 
48146  )
48147  e_2_1_1 = zeta*( c1*e_1_0_1 &
48148 
48149 
48150  )
48151  e_2_0_2 = zetb*( c1*e_1_0_1 &
48152 
48153 
48154  )
48155  e_0_2_1 = zeta*( &
48156  +c2*e_0_1_1&
48157  +2*e_1_1_1 &
48158  -2*e_0_0_1)
48159  e_0_1_2 = zetb*( &
48160  +c3*e_0_1_1&
48161  +2*e_1_1_1 &
48162  -2*e_0_1_0)
48163  e_1_2_1 = zeta*( c1*e_0_1_1 &
48164  +c2*e_1_1_1&
48165  +4*e_2_1_1 &
48166  -2*e_1_0_1)
48167  e_1_1_2 = zetb*( c1*e_0_1_1 &
48168  +c3*e_1_1_1&
48169  +4*e_2_1_1 &
48170  -2*e_1_1_0)
48171  e_2_2_1 = zeta*( c1*e_1_1_1 &
48172  +c2*e_2_1_1&
48173 
48174  )
48175  e_2_1_2 = zetb*( c1*e_1_1_1 &
48176  +c3*e_2_1_1&
48177 
48178  )
48179  e_3_2_1 = zeta*( c1*e_2_1_1 &
48180 
48181 
48182  )
48183  e_3_1_2 = zetb*( c1*e_2_1_1 &
48184 
48185 
48186  )
48187  e_0_3_1 = zeta*( &
48188  +c2*e_0_2_1&
48189  +2*e_1_2_1 &
48190  -4*e_0_1_1)
48191  e_0_2_2 = zetb*( &
48192  +c3*e_0_2_1&
48193  +2*e_1_2_1 &
48194  -2*e_0_2_0)
48195  e_1_3_1 = zeta*( c1*e_0_2_1 &
48196  +c2*e_1_2_1&
48197  +4*e_2_2_1 &
48198  -4*e_1_1_1)
48199  e_1_2_2 = zetb*( c1*e_0_2_1 &
48200  +c3*e_1_2_1&
48201  +4*e_2_2_1 &
48202  -2*e_1_2_0)
48203  e_2_3_1 = zeta*( c1*e_1_2_1 &
48204  +c2*e_2_2_1&
48205  +6*e_3_2_1 &
48206  -4*e_2_1_1)
48207  e_2_2_2 = zetb*( c1*e_1_2_1 &
48208  +c3*e_2_2_1&
48209  +6*e_3_2_1 &
48210  -2*e_2_2_0)
48211  e_3_3_1 = zeta*( c1*e_2_2_1 &
48212  +c2*e_3_2_1&
48213 
48214  )
48215  e_3_2_2 = zetb*( c1*e_2_2_1 &
48216  +c3*e_3_2_1&
48217 
48218  )
48219  e_4_3_1 = zeta*( c1*e_3_2_1 &
48220 
48221 
48222  )
48223  e_4_2_2 = zetb*( c1*e_3_2_1 &
48224 
48225 
48226  )
48227  e_0_4_1 = zeta*( &
48228  +c2*e_0_3_1&
48229  +2*e_1_3_1 &
48230  -6*e_0_2_1)
48231  e_0_3_2 = zetb*( &
48232  +c3*e_0_3_1&
48233  +2*e_1_3_1 &
48234  -2*e_0_3_0)
48235  e_1_4_1 = zeta*( c1*e_0_3_1 &
48236  +c2*e_1_3_1&
48237  +4*e_2_3_1 &
48238  -6*e_1_2_1)
48239  e_1_3_2 = zetb*( c1*e_0_3_1 &
48240  +c3*e_1_3_1&
48241  +4*e_2_3_1 &
48242  -2*e_1_3_0)
48243  e_2_4_1 = zeta*( c1*e_1_3_1 &
48244  +c2*e_2_3_1&
48245  +6*e_3_3_1 &
48246  -6*e_2_2_1)
48247  e_2_3_2 = zetb*( c1*e_1_3_1 &
48248  +c3*e_2_3_1&
48249  +6*e_3_3_1 &
48250  -2*e_2_3_0)
48251  e_3_4_1 = zeta*( c1*e_2_3_1 &
48252  +c2*e_3_3_1&
48253  +8*e_4_3_1 &
48254  -6*e_3_2_1)
48255  e_3_3_2 = zetb*( c1*e_2_3_1 &
48256  +c3*e_3_3_1&
48257  +8*e_4_3_1 &
48258  -2*e_3_3_0)
48259  e_4_4_1 = zeta*( c1*e_3_3_1 &
48260  +c2*e_4_3_1&
48261 
48262  )
48263  e_4_3_2 = zetb*( c1*e_3_3_1 &
48264  +c3*e_4_3_1&
48265 
48266  )
48267  e_5_4_1 = zeta*( c1*e_4_3_1 &
48268 
48269 
48270  )
48271  e_5_3_2 = zetb*( c1*e_4_3_1 &
48272 
48273 
48274  )
48275  e_0_4_2 = zetb*( &
48276  +c3*e_0_4_1&
48277  +2*e_1_4_1 &
48278  -2*e_0_4_0)
48279  e_1_4_2 = zetb*( c1*e_0_4_1 &
48280  +c3*e_1_4_1&
48281  +4*e_2_4_1 &
48282  -2*e_1_4_0)
48283  e_2_4_2 = zetb*( c1*e_1_4_1 &
48284  +c3*e_2_4_1&
48285  +6*e_3_4_1 &
48286  -2*e_2_4_0)
48287  e_3_4_2 = zetb*( c1*e_2_4_1 &
48288  +c3*e_3_4_1&
48289  +8*e_4_4_1 &
48290  -2*e_3_4_0)
48291  e_4_4_2 = zetb*( c1*e_3_4_1 &
48292  +c3*e_4_4_1&
48293  +10*e_5_4_1 &
48294  -2*e_4_4_0)
48295  e_5_4_2 = zetb*( c1*e_4_4_1 &
48296  +c3*e_5_4_1&
48297 
48298  )
48299  e_6_4_2 = zetb*( c1*e_5_4_1 &
48300 
48301 
48302  )
48303  e_0_1_2 = zeta*( &
48304  +c2*e_0_0_2&
48305  +2*e_1_0_2 &
48306  )
48307  e_0_0_3 = zetb*( &
48308  +c3*e_0_0_2&
48309  +2*e_1_0_2 &
48310  -4*e_0_0_1)
48311  e_1_1_2 = zeta*( c1*e_0_0_2 &
48312  +c2*e_1_0_2&
48313  +4*e_2_0_2 &
48314  )
48315  e_1_0_3 = zetb*( c1*e_0_0_2 &
48316  +c3*e_1_0_2&
48317  +4*e_2_0_2 &
48318  -4*e_1_0_1)
48319  e_2_1_2 = zeta*( c1*e_1_0_2 &
48320  +c2*e_2_0_2&
48321 
48322  )
48323  e_2_0_3 = zetb*( c1*e_1_0_2 &
48324  +c3*e_2_0_2&
48325 
48326  )
48327  e_3_1_2 = zeta*( c1*e_2_0_2 &
48328 
48329 
48330  )
48331  e_3_0_3 = zetb*( c1*e_2_0_2 &
48332 
48333 
48334  )
48335  e_0_2_2 = zeta*( &
48336  +c2*e_0_1_2&
48337  +2*e_1_1_2 &
48338  -2*e_0_0_2)
48339  e_0_1_3 = zetb*( &
48340  +c3*e_0_1_2&
48341  +2*e_1_1_2 &
48342  -4*e_0_1_1)
48343  e_1_2_2 = zeta*( c1*e_0_1_2 &
48344  +c2*e_1_1_2&
48345  +4*e_2_1_2 &
48346  -2*e_1_0_2)
48347  e_1_1_3 = zetb*( c1*e_0_1_2 &
48348  +c3*e_1_1_2&
48349  +4*e_2_1_2 &
48350  -4*e_1_1_1)
48351  e_2_2_2 = zeta*( c1*e_1_1_2 &
48352  +c2*e_2_1_2&
48353  +6*e_3_1_2 &
48354  -2*e_2_0_2)
48355  e_2_1_3 = zetb*( c1*e_1_1_2 &
48356  +c3*e_2_1_2&
48357  +6*e_3_1_2 &
48358  -4*e_2_1_1)
48359  e_3_2_2 = zeta*( c1*e_2_1_2 &
48360  +c2*e_3_1_2&
48361 
48362  )
48363  e_3_1_3 = zetb*( c1*e_2_1_2 &
48364  +c3*e_3_1_2&
48365 
48366  )
48367  e_4_2_2 = zeta*( c1*e_3_1_2 &
48368 
48369 
48370  )
48371  e_4_1_3 = zetb*( c1*e_3_1_2 &
48372 
48373 
48374  )
48375  e_0_3_2 = zeta*( &
48376  +c2*e_0_2_2&
48377  +2*e_1_2_2 &
48378  -4*e_0_1_2)
48379  e_0_2_3 = zetb*( &
48380  +c3*e_0_2_2&
48381  +2*e_1_2_2 &
48382  -4*e_0_2_1)
48383  e_1_3_2 = zeta*( c1*e_0_2_2 &
48384  +c2*e_1_2_2&
48385  +4*e_2_2_2 &
48386  -4*e_1_1_2)
48387  e_1_2_3 = zetb*( c1*e_0_2_2 &
48388  +c3*e_1_2_2&
48389  +4*e_2_2_2 &
48390  -4*e_1_2_1)
48391  e_2_3_2 = zeta*( c1*e_1_2_2 &
48392  +c2*e_2_2_2&
48393  +6*e_3_2_2 &
48394  -4*e_2_1_2)
48395  e_2_2_3 = zetb*( c1*e_1_2_2 &
48396  +c3*e_2_2_2&
48397  +6*e_3_2_2 &
48398  -4*e_2_2_1)
48399  e_3_3_2 = zeta*( c1*e_2_2_2 &
48400  +c2*e_3_2_2&
48401  +8*e_4_2_2 &
48402  -4*e_3_1_2)
48403  e_3_2_3 = zetb*( c1*e_2_2_2 &
48404  +c3*e_3_2_2&
48405  +8*e_4_2_2 &
48406  -4*e_3_2_1)
48407  e_4_3_2 = zeta*( c1*e_3_2_2 &
48408  +c2*e_4_2_2&
48409 
48410  )
48411  e_4_2_3 = zetb*( c1*e_3_2_2 &
48412  +c3*e_4_2_2&
48413 
48414  )
48415  e_5_3_2 = zeta*( c1*e_4_2_2 &
48416 
48417 
48418  )
48419  e_5_2_3 = zetb*( c1*e_4_2_2 &
48420 
48421 
48422  )
48423  e_0_4_2 = zeta*( &
48424  +c2*e_0_3_2&
48425  +2*e_1_3_2 &
48426  -6*e_0_2_2)
48427  e_0_3_3 = zetb*( &
48428  +c3*e_0_3_2&
48429  +2*e_1_3_2 &
48430  -4*e_0_3_1)
48431  e_1_4_2 = zeta*( c1*e_0_3_2 &
48432  +c2*e_1_3_2&
48433  +4*e_2_3_2 &
48434  -6*e_1_2_2)
48435  e_1_3_3 = zetb*( c1*e_0_3_2 &
48436  +c3*e_1_3_2&
48437  +4*e_2_3_2 &
48438  -4*e_1_3_1)
48439  e_2_4_2 = zeta*( c1*e_1_3_2 &
48440  +c2*e_2_3_2&
48441  +6*e_3_3_2 &
48442  -6*e_2_2_2)
48443  e_2_3_3 = zetb*( c1*e_1_3_2 &
48444  +c3*e_2_3_2&
48445  +6*e_3_3_2 &
48446  -4*e_2_3_1)
48447  e_3_4_2 = zeta*( c1*e_2_3_2 &
48448  +c2*e_3_3_2&
48449  +8*e_4_3_2 &
48450  -6*e_3_2_2)
48451  e_3_3_3 = zetb*( c1*e_2_3_2 &
48452  +c3*e_3_3_2&
48453  +8*e_4_3_2 &
48454  -4*e_3_3_1)
48455  e_4_4_2 = zeta*( c1*e_3_3_2 &
48456  +c2*e_4_3_2&
48457  +10*e_5_3_2 &
48458  -6*e_4_2_2)
48459  e_4_3_3 = zetb*( c1*e_3_3_2 &
48460  +c3*e_4_3_2&
48461  +10*e_5_3_2 &
48462  -4*e_4_3_1)
48463  e_5_4_2 = zeta*( c1*e_4_3_2 &
48464  +c2*e_5_3_2&
48465 
48466  )
48467  e_5_3_3 = zetb*( c1*e_4_3_2 &
48468  +c3*e_5_3_2&
48469 
48470  )
48471  e_6_4_2 = zeta*( c1*e_5_3_2 &
48472 
48473 
48474  )
48475  e_6_3_3 = zetb*( c1*e_5_3_2 &
48476 
48477 
48478  )
48479  e_0_4_3 = zetb*( &
48480  +c3*e_0_4_2&
48481  +2*e_1_4_2 &
48482  -4*e_0_4_1)
48483  e_1_4_3 = zetb*( c1*e_0_4_2 &
48484  +c3*e_1_4_2&
48485  +4*e_2_4_2 &
48486  -4*e_1_4_1)
48487  e_2_4_3 = zetb*( c1*e_1_4_2 &
48488  +c3*e_2_4_2&
48489  +6*e_3_4_2 &
48490  -4*e_2_4_1)
48491  e_3_4_3 = zetb*( c1*e_2_4_2 &
48492  +c3*e_3_4_2&
48493  +8*e_4_4_2 &
48494  -4*e_3_4_1)
48495  e_4_4_3 = zetb*( c1*e_3_4_2 &
48496  +c3*e_4_4_2&
48497  +10*e_5_4_2 &
48498  -4*e_4_4_1)
48499  e_5_4_3 = zetb*( c1*e_4_4_2 &
48500  +c3*e_5_4_2&
48501  +12*e_6_4_2 &
48502  -4*e_5_4_1)
48503  e_6_4_3 = zetb*( c1*e_5_4_2 &
48504  +c3*e_6_4_2&
48505 
48506  )
48507  e_7_4_3 = zetb*( c1*e_6_4_2 &
48508 
48509 
48510  )
48511  e_0_1_3 = zeta*( &
48512  +c2*e_0_0_3&
48513  +2*e_1_0_3 &
48514  )
48515  e_1_1_3 = zeta*( c1*e_0_0_3 &
48516  +c2*e_1_0_3&
48517  +4*e_2_0_3 &
48518  )
48519  e_2_1_3 = zeta*( c1*e_1_0_3 &
48520  +c2*e_2_0_3&
48521  +6*e_3_0_3 &
48522  )
48523  e_3_1_3 = zeta*( c1*e_2_0_3 &
48524  +c2*e_3_0_3&
48525 
48526  )
48527  e_4_1_3 = zeta*( c1*e_3_0_3 &
48528 
48529 
48530  )
48531  e_0_2_3 = zeta*( &
48532  +c2*e_0_1_3&
48533  +2*e_1_1_3 &
48534  -2*e_0_0_3)
48535  e_1_2_3 = zeta*( c1*e_0_1_3 &
48536  +c2*e_1_1_3&
48537  +4*e_2_1_3 &
48538  -2*e_1_0_3)
48539  e_2_2_3 = zeta*( c1*e_1_1_3 &
48540  +c2*e_2_1_3&
48541  +6*e_3_1_3 &
48542  -2*e_2_0_3)
48543  e_3_2_3 = zeta*( c1*e_2_1_3 &
48544  +c2*e_3_1_3&
48545  +8*e_4_1_3 &
48546  -2*e_3_0_3)
48547  e_4_2_3 = zeta*( c1*e_3_1_3 &
48548  +c2*e_4_1_3&
48549 
48550  )
48551  e_5_2_3 = zeta*( c1*e_4_1_3 &
48552 
48553 
48554  )
48555  e_0_3_3 = zeta*( &
48556  +c2*e_0_2_3&
48557  +2*e_1_2_3 &
48558  -4*e_0_1_3)
48559  e_1_3_3 = zeta*( c1*e_0_2_3 &
48560  +c2*e_1_2_3&
48561  +4*e_2_2_3 &
48562  -4*e_1_1_3)
48563  e_2_3_3 = zeta*( c1*e_1_2_3 &
48564  +c2*e_2_2_3&
48565  +6*e_3_2_3 &
48566  -4*e_2_1_3)
48567  e_3_3_3 = zeta*( c1*e_2_2_3 &
48568  +c2*e_3_2_3&
48569  +8*e_4_2_3 &
48570  -4*e_3_1_3)
48571  e_4_3_3 = zeta*( c1*e_3_2_3 &
48572  +c2*e_4_2_3&
48573  +10*e_5_2_3 &
48574  -4*e_4_1_3)
48575  e_5_3_3 = zeta*( c1*e_4_2_3 &
48576  +c2*e_5_2_3&
48577 
48578  )
48579  e_6_3_3 = zeta*( c1*e_5_2_3 &
48580 
48581 
48582  )
48583  e_0_4_3 = zeta*( &
48584  +c2*e_0_3_3&
48585  +2*e_1_3_3 &
48586  -6*e_0_2_3)
48587  e_1_4_3 = zeta*( c1*e_0_3_3 &
48588  +c2*e_1_3_3&
48589  +4*e_2_3_3 &
48590  -6*e_1_2_3)
48591  e_2_4_3 = zeta*( c1*e_1_3_3 &
48592  +c2*e_2_3_3&
48593  +6*e_3_3_3 &
48594  -6*e_2_2_3)
48595  e_3_4_3 = zeta*( c1*e_2_3_3 &
48596  +c2*e_3_3_3&
48597  +8*e_4_3_3 &
48598  -6*e_3_2_3)
48599  e_4_4_3 = zeta*( c1*e_3_3_3 &
48600  +c2*e_4_3_3&
48601  +10*e_5_3_3 &
48602  -6*e_4_2_3)
48603  e_5_4_3 = zeta*( c1*e_4_3_3 &
48604  +c2*e_5_3_3&
48605  +12*e_6_3_3 &
48606  -6*e_5_2_3)
48607  e_6_4_3 = zeta*( c1*e_5_3_3 &
48608  +c2*e_6_3_3&
48609 
48610  )
48611  e_7_4_3 = zeta*( c1*e_6_3_3 &
48612 
48613 
48614  )
48615 
48616  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
48617  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
48618  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
48619  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
48620  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
48621  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
48622  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
48623  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
48624  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
48625  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
48626  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
48627  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
48628  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
48629  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
48630  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
48631  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
48632  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
48633  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
48634  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
48635  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
48636  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
48637  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
48638  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
48639  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
48640  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
48641  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
48642  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
48643  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
48644  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
48645  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
48646  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
48647  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
48648  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
48649  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
48650  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
48651  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
48652  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
48653  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
48654  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
48655  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
48656  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
48657  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
48658  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
48659  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
48660  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
48661  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
48662  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
48663  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
48664  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
48665  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
48666  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
48667  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
48668  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
48669  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
48670  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
48671  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
48672  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
48673  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
48674  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
48675  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
48676  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
48677  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
48678  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
48679  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
48680  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
48681  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
48682  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
48683  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
48684  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
48685  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
48686  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
48687  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
48688  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
48689  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
48690  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
48691  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
48692  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
48693  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
48694  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
48695  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
48696  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
48697  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
48698  s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
48699  s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
48700  s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
48701  s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
48702  s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
48703  s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
48704  s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
48705  s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
48706  r1 = r1 + dr
48707  END DO
48708 
48709  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
48710  END SUBROUTINE
48711  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_3_1_exp_0 ( &
48712  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
48713  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
48714  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
48715  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
48716  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
48717  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
48718  r_pow_t, r_tmp, rr1_delta, rr2_delta
48719 
48720  REAL(kind=dp) :: c1, c2, c3
48721  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
48722  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
48723  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
48724  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
48725  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
48726  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
48727  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
48728  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
48729  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
48730  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
48731  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
48732  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
48733  & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
48734  & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3
48735 
48736 
48737  dr = lgth
48738  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
48739 
48740  s_r(:, :, :) = 0.0_dp
48741 
48742  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
48743 
48744  h_to_c_0_0 = sqrt(alpha/pi)
48745 
48746  h_to_c_0_1 = 0.0_dp
48747  h_to_c_1_1 = +2*alpha*h_to_c_0_0
48748  h_to_c_0_2 = -1*h_to_c_1_1
48749  h_to_c_1_2 = +2*alpha*h_to_c_0_1
48750  h_to_c_2_2 = +2*alpha*h_to_c_1_1
48751  h_to_c_0_3 = -1*h_to_c_1_2
48752  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
48753  h_to_c_2_3 = +2*alpha*h_to_c_1_2
48754  h_to_c_3_3 = +2*alpha*h_to_c_2_2
48755  h_to_c_0_4 = -1*h_to_c_1_3
48756  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
48757  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
48758  h_to_c_3_4 = +2*alpha*h_to_c_2_3
48759  h_to_c_4_4 = +2*alpha*h_to_c_3_3
48760  h_to_c_0_5 = -1*h_to_c_1_4
48761  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
48762  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
48763  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
48764  h_to_c_4_5 = +2*alpha*h_to_c_3_4
48765  h_to_c_5_5 = +2*alpha*h_to_c_4_4
48766  h_to_c_0_6 = -1*h_to_c_1_5
48767  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
48768  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
48769  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
48770  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
48771  h_to_c_5_6 = +2*alpha*h_to_c_4_5
48772  h_to_c_6_6 = +2*alpha*h_to_c_5_5
48773  h_to_c_0_7 = -1*h_to_c_1_6
48774  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
48775  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
48776  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
48777  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
48778  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
48779  h_to_c_6_7 = +2*alpha*h_to_c_5_6
48780  h_to_c_7_7 = +2*alpha*h_to_c_6_6
48781  h_to_c_0_8 = -1*h_to_c_1_7
48782  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
48783  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
48784  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
48785  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
48786  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
48787  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
48788  h_to_c_7_8 = +2*alpha*h_to_c_6_7
48789  h_to_c_8_8 = +2*alpha*h_to_c_7_7
48790 
48791 
48792  rr1_delta = (ra - rb)/dr
48793 
48794  rr1_l = ceiling(-r_c(1) + rr1_delta)
48795  rr1_r = floor(r_c(1) + rr1_delta)
48796 
48797  r1 = rr1_l*dr
48798 
48799  alpha_e = zeta*zetb/(zeta + zetb)
48800 
48801  DO rr1 = rr1_l, rr1_r
48802  s_r_t_0 = 0.0_dp
48803  s_r_t2_0 = 0.0_dp
48804  s_r_t_1 = 0.0_dp
48805  s_r_t2_1 = 0.0_dp
48806  s_r_t_2 = 0.0_dp
48807  s_r_t2_2 = 0.0_dp
48808  s_r_t_3 = 0.0_dp
48809  s_r_t2_3 = 0.0_dp
48810  s_r_t_4 = 0.0_dp
48811  s_r_t2_4 = 0.0_dp
48812  s_r_t_5 = 0.0_dp
48813  s_r_t2_5 = 0.0_dp
48814  s_r_t_6 = 0.0_dp
48815  s_r_t2_6 = 0.0_dp
48816  s_r_t_7 = 0.0_dp
48817  s_r_t2_7 = 0.0_dp
48818  s_r_t_8 = 0.0_dp
48819  s_r_t2_8 = 0.0_dp
48820  r_tmp = r_offset + r1*zeta/(zeta + zetb)
48821  rr2_delta = -r_tmp/dr
48822 
48823  rr2_l = ceiling(-r_c(2) + rr2_delta)
48824  rr2_r = floor(r_c(2) + rr2_delta)
48825 
48826  r = r_tmp + (rr2_l)*dr
48827 
48828 
48829  DO rr2 = rr2_l, rr2_r
48830  r_pow_t = 1.0_dp
48831  exp2_rsq = exp(-alpha*r*r)
48832  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
48833  r_pow_t = r_pow_t*r
48834  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
48835  r_pow_t = r_pow_t*r
48836  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
48837  r_pow_t = r_pow_t*r
48838  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
48839  r_pow_t = r_pow_t*r
48840  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
48841  r_pow_t = r_pow_t*r
48842  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
48843  r_pow_t = r_pow_t*r
48844  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
48845  r_pow_t = r_pow_t*r
48846  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
48847  r_pow_t = r_pow_t*r
48848  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
48849 
48850  r = r + dr
48851  END DO
48852 
48853  ! C --> H
48854  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
48855  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
48856  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
48857  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
48858  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
48859  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
48860  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
48861  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
48862  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
48863  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
48864  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
48865  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
48866  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
48867  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
48868  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
48869  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
48870  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
48871  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
48872  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
48873  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
48874  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
48875  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
48876  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
48877  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
48878  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
48879  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
48880  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
48881  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
48882  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
48883  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
48884  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
48885  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
48886  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
48887  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
48888  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
48889  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
48890  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
48891  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
48892  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
48893  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
48894  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
48895  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
48896  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
48897  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
48898  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
48899 
48900  ! H --> HH
48901  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
48902 
48903  c1 = 1.0_dp/(zeta + zetb)
48904  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
48905  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
48906 
48907  e_0_1_0 = zeta*( &
48908  +c2*e_0_0_0&
48909 
48910  )
48911  e_0_0_1 = zetb*( &
48912  +c3*e_0_0_0&
48913 
48914  )
48915  e_1_1_0 = zeta*( c1*e_0_0_0 &
48916 
48917 
48918  )
48919  e_1_0_1 = zetb*( c1*e_0_0_0 &
48920 
48921 
48922  )
48923  e_0_2_0 = zeta*( &
48924  +c2*e_0_1_0&
48925  +2*e_1_1_0 &
48926  -2*e_0_0_0)
48927  e_0_1_1 = zetb*( &
48928  +c3*e_0_1_0&
48929  +2*e_1_1_0 &
48930  )
48931  e_1_2_0 = zeta*( c1*e_0_1_0 &
48932  +c2*e_1_1_0&
48933 
48934  )
48935  e_1_1_1 = zetb*( c1*e_0_1_0 &
48936  +c3*e_1_1_0&
48937 
48938  )
48939  e_2_2_0 = zeta*( c1*e_1_1_0 &
48940 
48941 
48942  )
48943  e_2_1_1 = zetb*( c1*e_1_1_0 &
48944 
48945 
48946  )
48947  e_0_3_0 = zeta*( &
48948  +c2*e_0_2_0&
48949  +2*e_1_2_0 &
48950  -4*e_0_1_0)
48951  e_0_2_1 = zetb*( &
48952  +c3*e_0_2_0&
48953  +2*e_1_2_0 &
48954  )
48955  e_1_3_0 = zeta*( c1*e_0_2_0 &
48956  +c2*e_1_2_0&
48957  +4*e_2_2_0 &
48958  -4*e_1_1_0)
48959  e_1_2_1 = zetb*( c1*e_0_2_0 &
48960  +c3*e_1_2_0&
48961  +4*e_2_2_0 &
48962  )
48963  e_2_3_0 = zeta*( c1*e_1_2_0 &
48964  +c2*e_2_2_0&
48965 
48966  )
48967  e_2_2_1 = zetb*( c1*e_1_2_0 &
48968  +c3*e_2_2_0&
48969 
48970  )
48971  e_3_3_0 = zeta*( c1*e_2_2_0 &
48972 
48973 
48974  )
48975  e_3_2_1 = zetb*( c1*e_2_2_0 &
48976 
48977 
48978  )
48979  e_0_4_0 = zeta*( &
48980  +c2*e_0_3_0&
48981  +2*e_1_3_0 &
48982  -6*e_0_2_0)
48983  e_0_3_1 = zetb*( &
48984  +c3*e_0_3_0&
48985  +2*e_1_3_0 &
48986  )
48987  e_1_4_0 = zeta*( c1*e_0_3_0 &
48988  +c2*e_1_3_0&
48989  +4*e_2_3_0 &
48990  -6*e_1_2_0)
48991  e_1_3_1 = zetb*( c1*e_0_3_0 &
48992  +c3*e_1_3_0&
48993  +4*e_2_3_0 &
48994  )
48995  e_2_4_0 = zeta*( c1*e_1_3_0 &
48996  +c2*e_2_3_0&
48997  +6*e_3_3_0 &
48998  -6*e_2_2_0)
48999  e_2_3_1 = zetb*( c1*e_1_3_0 &
49000  +c3*e_2_3_0&
49001  +6*e_3_3_0 &
49002  )
49003  e_3_4_0 = zeta*( c1*e_2_3_0 &
49004  +c2*e_3_3_0&
49005 
49006  )
49007  e_3_3_1 = zetb*( c1*e_2_3_0 &
49008  +c3*e_3_3_0&
49009 
49010  )
49011  e_4_4_0 = zeta*( c1*e_3_3_0 &
49012 
49013 
49014  )
49015  e_4_3_1 = zetb*( c1*e_3_3_0 &
49016 
49017 
49018  )
49019  e_0_4_1 = zetb*( &
49020  +c3*e_0_4_0&
49021  +2*e_1_4_0 &
49022  )
49023  e_1_4_1 = zetb*( c1*e_0_4_0 &
49024  +c3*e_1_4_0&
49025  +4*e_2_4_0 &
49026  )
49027  e_2_4_1 = zetb*( c1*e_1_4_0 &
49028  +c3*e_2_4_0&
49029  +6*e_3_4_0 &
49030  )
49031  e_3_4_1 = zetb*( c1*e_2_4_0 &
49032  +c3*e_3_4_0&
49033  +8*e_4_4_0 &
49034  )
49035  e_4_4_1 = zetb*( c1*e_3_4_0 &
49036  +c3*e_4_4_0&
49037 
49038  )
49039  e_5_4_1 = zetb*( c1*e_4_4_0 &
49040 
49041 
49042  )
49043  e_0_1_1 = zeta*( &
49044  +c2*e_0_0_1&
49045  +2*e_1_0_1 &
49046  )
49047  e_0_0_2 = zetb*( &
49048  +c3*e_0_0_1&
49049  +2*e_1_0_1 &
49050  -2*e_0_0_0)
49051  e_1_1_1 = zeta*( c1*e_0_0_1 &
49052  +c2*e_1_0_1&
49053 
49054  )
49055  e_1_0_2 = zetb*( c1*e_0_0_1 &
49056  +c3*e_1_0_1&
49057 
49058  )
49059  e_2_1_1 = zeta*( c1*e_1_0_1 &
49060 
49061 
49062  )
49063  e_2_0_2 = zetb*( c1*e_1_0_1 &
49064 
49065 
49066  )
49067  e_0_2_1 = zeta*( &
49068  +c2*e_0_1_1&
49069  +2*e_1_1_1 &
49070  -2*e_0_0_1)
49071  e_0_1_2 = zetb*( &
49072  +c3*e_0_1_1&
49073  +2*e_1_1_1 &
49074  -2*e_0_1_0)
49075  e_1_2_1 = zeta*( c1*e_0_1_1 &
49076  +c2*e_1_1_1&
49077  +4*e_2_1_1 &
49078  -2*e_1_0_1)
49079  e_1_1_2 = zetb*( c1*e_0_1_1 &
49080  +c3*e_1_1_1&
49081  +4*e_2_1_1 &
49082  -2*e_1_1_0)
49083  e_2_2_1 = zeta*( c1*e_1_1_1 &
49084  +c2*e_2_1_1&
49085 
49086  )
49087  e_2_1_2 = zetb*( c1*e_1_1_1 &
49088  +c3*e_2_1_1&
49089 
49090  )
49091  e_3_2_1 = zeta*( c1*e_2_1_1 &
49092 
49093 
49094  )
49095  e_3_1_2 = zetb*( c1*e_2_1_1 &
49096 
49097 
49098  )
49099  e_0_3_1 = zeta*( &
49100  +c2*e_0_2_1&
49101  +2*e_1_2_1 &
49102  -4*e_0_1_1)
49103  e_0_2_2 = zetb*( &
49104  +c3*e_0_2_1&
49105  +2*e_1_2_1 &
49106  -2*e_0_2_0)
49107  e_1_3_1 = zeta*( c1*e_0_2_1 &
49108  +c2*e_1_2_1&
49109  +4*e_2_2_1 &
49110  -4*e_1_1_1)
49111  e_1_2_2 = zetb*( c1*e_0_2_1 &
49112  +c3*e_1_2_1&
49113  +4*e_2_2_1 &
49114  -2*e_1_2_0)
49115  e_2_3_1 = zeta*( c1*e_1_2_1 &
49116  +c2*e_2_2_1&
49117  +6*e_3_2_1 &
49118  -4*e_2_1_1)
49119  e_2_2_2 = zetb*( c1*e_1_2_1 &
49120  +c3*e_2_2_1&
49121  +6*e_3_2_1 &
49122  -2*e_2_2_0)
49123  e_3_3_1 = zeta*( c1*e_2_2_1 &
49124  +c2*e_3_2_1&
49125 
49126  )
49127  e_3_2_2 = zetb*( c1*e_2_2_1 &
49128  +c3*e_3_2_1&
49129 
49130  )
49131  e_4_3_1 = zeta*( c1*e_3_2_1 &
49132 
49133 
49134  )
49135  e_4_2_2 = zetb*( c1*e_3_2_1 &
49136 
49137 
49138  )
49139  e_0_4_1 = zeta*( &
49140  +c2*e_0_3_1&
49141  +2*e_1_3_1 &
49142  -6*e_0_2_1)
49143  e_0_3_2 = zetb*( &
49144  +c3*e_0_3_1&
49145  +2*e_1_3_1 &
49146  -2*e_0_3_0)
49147  e_1_4_1 = zeta*( c1*e_0_3_1 &
49148  +c2*e_1_3_1&
49149  +4*e_2_3_1 &
49150  -6*e_1_2_1)
49151  e_1_3_2 = zetb*( c1*e_0_3_1 &
49152  +c3*e_1_3_1&
49153  +4*e_2_3_1 &
49154  -2*e_1_3_0)
49155  e_2_4_1 = zeta*( c1*e_1_3_1 &
49156  +c2*e_2_3_1&
49157  +6*e_3_3_1 &
49158  -6*e_2_2_1)
49159  e_2_3_2 = zetb*( c1*e_1_3_1 &
49160  +c3*e_2_3_1&
49161  +6*e_3_3_1 &
49162  -2*e_2_3_0)
49163  e_3_4_1 = zeta*( c1*e_2_3_1 &
49164  +c2*e_3_3_1&
49165  +8*e_4_3_1 &
49166  -6*e_3_2_1)
49167  e_3_3_2 = zetb*( c1*e_2_3_1 &
49168  +c3*e_3_3_1&
49169  +8*e_4_3_1 &
49170  -2*e_3_3_0)
49171  e_4_4_1 = zeta*( c1*e_3_3_1 &
49172  +c2*e_4_3_1&
49173 
49174  )
49175  e_4_3_2 = zetb*( c1*e_3_3_1 &
49176  +c3*e_4_3_1&
49177 
49178  )
49179  e_5_4_1 = zeta*( c1*e_4_3_1 &
49180 
49181 
49182  )
49183  e_5_3_2 = zetb*( c1*e_4_3_1 &
49184 
49185 
49186  )
49187  e_0_4_2 = zetb*( &
49188  +c3*e_0_4_1&
49189  +2*e_1_4_1 &
49190  -2*e_0_4_0)
49191  e_1_4_2 = zetb*( c1*e_0_4_1 &
49192  +c3*e_1_4_1&
49193  +4*e_2_4_1 &
49194  -2*e_1_4_0)
49195  e_2_4_2 = zetb*( c1*e_1_4_1 &
49196  +c3*e_2_4_1&
49197  +6*e_3_4_1 &
49198  -2*e_2_4_0)
49199  e_3_4_2 = zetb*( c1*e_2_4_1 &
49200  +c3*e_3_4_1&
49201  +8*e_4_4_1 &
49202  -2*e_3_4_0)
49203  e_4_4_2 = zetb*( c1*e_3_4_1 &
49204  +c3*e_4_4_1&
49205  +10*e_5_4_1 &
49206  -2*e_4_4_0)
49207  e_5_4_2 = zetb*( c1*e_4_4_1 &
49208  +c3*e_5_4_1&
49209 
49210  )
49211  e_6_4_2 = zetb*( c1*e_5_4_1 &
49212 
49213 
49214  )
49215  e_0_1_2 = zeta*( &
49216  +c2*e_0_0_2&
49217  +2*e_1_0_2 &
49218  )
49219  e_0_0_3 = zetb*( &
49220  +c3*e_0_0_2&
49221  +2*e_1_0_2 &
49222  -4*e_0_0_1)
49223  e_1_1_2 = zeta*( c1*e_0_0_2 &
49224  +c2*e_1_0_2&
49225  +4*e_2_0_2 &
49226  )
49227  e_1_0_3 = zetb*( c1*e_0_0_2 &
49228  +c3*e_1_0_2&
49229  +4*e_2_0_2 &
49230  -4*e_1_0_1)
49231  e_2_1_2 = zeta*( c1*e_1_0_2 &
49232  +c2*e_2_0_2&
49233 
49234  )
49235  e_2_0_3 = zetb*( c1*e_1_0_2 &
49236  +c3*e_2_0_2&
49237 
49238  )
49239  e_3_1_2 = zeta*( c1*e_2_0_2 &
49240 
49241 
49242  )
49243  e_3_0_3 = zetb*( c1*e_2_0_2 &
49244 
49245 
49246  )
49247  e_0_2_2 = zeta*( &
49248  +c2*e_0_1_2&
49249  +2*e_1_1_2 &
49250  -2*e_0_0_2)
49251  e_0_1_3 = zetb*( &
49252  +c3*e_0_1_2&
49253  +2*e_1_1_2 &
49254  -4*e_0_1_1)
49255  e_1_2_2 = zeta*( c1*e_0_1_2 &
49256  +c2*e_1_1_2&
49257  +4*e_2_1_2 &
49258  -2*e_1_0_2)
49259  e_1_1_3 = zetb*( c1*e_0_1_2 &
49260  +c3*e_1_1_2&
49261  +4*e_2_1_2 &
49262  -4*e_1_1_1)
49263  e_2_2_2 = zeta*( c1*e_1_1_2 &
49264  +c2*e_2_1_2&
49265  +6*e_3_1_2 &
49266  -2*e_2_0_2)
49267  e_2_1_3 = zetb*( c1*e_1_1_2 &
49268  +c3*e_2_1_2&
49269  +6*e_3_1_2 &
49270  -4*e_2_1_1)
49271  e_3_2_2 = zeta*( c1*e_2_1_2 &
49272  +c2*e_3_1_2&
49273 
49274  )
49275  e_3_1_3 = zetb*( c1*e_2_1_2 &
49276  +c3*e_3_1_2&
49277 
49278  )
49279  e_4_2_2 = zeta*( c1*e_3_1_2 &
49280 
49281 
49282  )
49283  e_4_1_3 = zetb*( c1*e_3_1_2 &
49284 
49285 
49286  )
49287  e_0_3_2 = zeta*( &
49288  +c2*e_0_2_2&
49289  +2*e_1_2_2 &
49290  -4*e_0_1_2)
49291  e_0_2_3 = zetb*( &
49292  +c3*e_0_2_2&
49293  +2*e_1_2_2 &
49294  -4*e_0_2_1)
49295  e_1_3_2 = zeta*( c1*e_0_2_2 &
49296  +c2*e_1_2_2&
49297  +4*e_2_2_2 &
49298  -4*e_1_1_2)
49299  e_1_2_3 = zetb*( c1*e_0_2_2 &
49300  +c3*e_1_2_2&
49301  +4*e_2_2_2 &
49302  -4*e_1_2_1)
49303  e_2_3_2 = zeta*( c1*e_1_2_2 &
49304  +c2*e_2_2_2&
49305  +6*e_3_2_2 &
49306  -4*e_2_1_2)
49307  e_2_2_3 = zetb*( c1*e_1_2_2 &
49308  +c3*e_2_2_2&
49309  +6*e_3_2_2 &
49310  -4*e_2_2_1)
49311  e_3_3_2 = zeta*( c1*e_2_2_2 &
49312  +c2*e_3_2_2&
49313  +8*e_4_2_2 &
49314  -4*e_3_1_2)
49315  e_3_2_3 = zetb*( c1*e_2_2_2 &
49316  +c3*e_3_2_2&
49317  +8*e_4_2_2 &
49318  -4*e_3_2_1)
49319  e_4_3_2 = zeta*( c1*e_3_2_2 &
49320  +c2*e_4_2_2&
49321 
49322  )
49323  e_4_2_3 = zetb*( c1*e_3_2_2 &
49324  +c3*e_4_2_2&
49325 
49326  )
49327  e_5_3_2 = zeta*( c1*e_4_2_2 &
49328 
49329 
49330  )
49331  e_5_2_3 = zetb*( c1*e_4_2_2 &
49332 
49333 
49334  )
49335  e_0_4_2 = zeta*( &
49336  +c2*e_0_3_2&
49337  +2*e_1_3_2 &
49338  -6*e_0_2_2)
49339  e_0_3_3 = zetb*( &
49340  +c3*e_0_3_2&
49341  +2*e_1_3_2 &
49342  -4*e_0_3_1)
49343  e_1_4_2 = zeta*( c1*e_0_3_2 &
49344  +c2*e_1_3_2&
49345  +4*e_2_3_2 &
49346  -6*e_1_2_2)
49347  e_1_3_3 = zetb*( c1*e_0_3_2 &
49348  +c3*e_1_3_2&
49349  +4*e_2_3_2 &
49350  -4*e_1_3_1)
49351  e_2_4_2 = zeta*( c1*e_1_3_2 &
49352  +c2*e_2_3_2&
49353  +6*e_3_3_2 &
49354  -6*e_2_2_2)
49355  e_2_3_3 = zetb*( c1*e_1_3_2 &
49356  +c3*e_2_3_2&
49357  +6*e_3_3_2 &
49358  -4*e_2_3_1)
49359  e_3_4_2 = zeta*( c1*e_2_3_2 &
49360  +c2*e_3_3_2&
49361  +8*e_4_3_2 &
49362  -6*e_3_2_2)
49363  e_3_3_3 = zetb*( c1*e_2_3_2 &
49364  +c3*e_3_3_2&
49365  +8*e_4_3_2 &
49366  -4*e_3_3_1)
49367  e_4_4_2 = zeta*( c1*e_3_3_2 &
49368  +c2*e_4_3_2&
49369  +10*e_5_3_2 &
49370  -6*e_4_2_2)
49371  e_4_3_3 = zetb*( c1*e_3_3_2 &
49372  +c3*e_4_3_2&
49373  +10*e_5_3_2 &
49374  -4*e_4_3_1)
49375  e_5_4_2 = zeta*( c1*e_4_3_2 &
49376  +c2*e_5_3_2&
49377 
49378  )
49379  e_5_3_3 = zetb*( c1*e_4_3_2 &
49380  +c3*e_5_3_2&
49381 
49382  )
49383  e_6_4_2 = zeta*( c1*e_5_3_2 &
49384 
49385 
49386  )
49387  e_6_3_3 = zetb*( c1*e_5_3_2 &
49388 
49389 
49390  )
49391  e_0_4_3 = zetb*( &
49392  +c3*e_0_4_2&
49393  +2*e_1_4_2 &
49394  -4*e_0_4_1)
49395  e_1_4_3 = zetb*( c1*e_0_4_2 &
49396  +c3*e_1_4_2&
49397  +4*e_2_4_2 &
49398  -4*e_1_4_1)
49399  e_2_4_3 = zetb*( c1*e_1_4_2 &
49400  +c3*e_2_4_2&
49401  +6*e_3_4_2 &
49402  -4*e_2_4_1)
49403  e_3_4_3 = zetb*( c1*e_2_4_2 &
49404  +c3*e_3_4_2&
49405  +8*e_4_4_2 &
49406  -4*e_3_4_1)
49407  e_4_4_3 = zetb*( c1*e_3_4_2 &
49408  +c3*e_4_4_2&
49409  +10*e_5_4_2 &
49410  -4*e_4_4_1)
49411  e_5_4_3 = zetb*( c1*e_4_4_2 &
49412  +c3*e_5_4_2&
49413  +12*e_6_4_2 &
49414  -4*e_5_4_1)
49415  e_6_4_3 = zetb*( c1*e_5_4_2 &
49416  +c3*e_6_4_2&
49417 
49418  )
49419  e_7_4_3 = zetb*( c1*e_6_4_2 &
49420 
49421 
49422  )
49423  e_0_1_3 = zeta*( &
49424  +c2*e_0_0_3&
49425  +2*e_1_0_3 &
49426  )
49427  e_1_1_3 = zeta*( c1*e_0_0_3 &
49428  +c2*e_1_0_3&
49429  +4*e_2_0_3 &
49430  )
49431  e_2_1_3 = zeta*( c1*e_1_0_3 &
49432  +c2*e_2_0_3&
49433  +6*e_3_0_3 &
49434  )
49435  e_3_1_3 = zeta*( c1*e_2_0_3 &
49436  +c2*e_3_0_3&
49437 
49438  )
49439  e_4_1_3 = zeta*( c1*e_3_0_3 &
49440 
49441 
49442  )
49443  e_0_2_3 = zeta*( &
49444  +c2*e_0_1_3&
49445  +2*e_1_1_3 &
49446  -2*e_0_0_3)
49447  e_1_2_3 = zeta*( c1*e_0_1_3 &
49448  +c2*e_1_1_3&
49449  +4*e_2_1_3 &
49450  -2*e_1_0_3)
49451  e_2_2_3 = zeta*( c1*e_1_1_3 &
49452  +c2*e_2_1_3&
49453  +6*e_3_1_3 &
49454  -2*e_2_0_3)
49455  e_3_2_3 = zeta*( c1*e_2_1_3 &
49456  +c2*e_3_1_3&
49457  +8*e_4_1_3 &
49458  -2*e_3_0_3)
49459  e_4_2_3 = zeta*( c1*e_3_1_3 &
49460  +c2*e_4_1_3&
49461 
49462  )
49463  e_5_2_3 = zeta*( c1*e_4_1_3 &
49464 
49465 
49466  )
49467  e_0_3_3 = zeta*( &
49468  +c2*e_0_2_3&
49469  +2*e_1_2_3 &
49470  -4*e_0_1_3)
49471  e_1_3_3 = zeta*( c1*e_0_2_3 &
49472  +c2*e_1_2_3&
49473  +4*e_2_2_3 &
49474  -4*e_1_1_3)
49475  e_2_3_3 = zeta*( c1*e_1_2_3 &
49476  +c2*e_2_2_3&
49477  +6*e_3_2_3 &
49478  -4*e_2_1_3)
49479  e_3_3_3 = zeta*( c1*e_2_2_3 &
49480  +c2*e_3_2_3&
49481  +8*e_4_2_3 &
49482  -4*e_3_1_3)
49483  e_4_3_3 = zeta*( c1*e_3_2_3 &
49484  +c2*e_4_2_3&
49485  +10*e_5_2_3 &
49486  -4*e_4_1_3)
49487  e_5_3_3 = zeta*( c1*e_4_2_3 &
49488  +c2*e_5_2_3&
49489 
49490  )
49491  e_6_3_3 = zeta*( c1*e_5_2_3 &
49492 
49493 
49494  )
49495  e_0_4_3 = zeta*( &
49496  +c2*e_0_3_3&
49497  +2*e_1_3_3 &
49498  -6*e_0_2_3)
49499  e_1_4_3 = zeta*( c1*e_0_3_3 &
49500  +c2*e_1_3_3&
49501  +4*e_2_3_3 &
49502  -6*e_1_2_3)
49503  e_2_4_3 = zeta*( c1*e_1_3_3 &
49504  +c2*e_2_3_3&
49505  +6*e_3_3_3 &
49506  -6*e_2_2_3)
49507  e_3_4_3 = zeta*( c1*e_2_3_3 &
49508  +c2*e_3_3_3&
49509  +8*e_4_3_3 &
49510  -6*e_3_2_3)
49511  e_4_4_3 = zeta*( c1*e_3_3_3 &
49512  +c2*e_4_3_3&
49513  +10*e_5_3_3 &
49514  -6*e_4_2_3)
49515  e_5_4_3 = zeta*( c1*e_4_3_3 &
49516  +c2*e_5_3_3&
49517  +12*e_6_3_3 &
49518  -6*e_5_2_3)
49519  e_6_4_3 = zeta*( c1*e_5_3_3 &
49520  +c2*e_6_3_3&
49521 
49522  )
49523  e_7_4_3 = zeta*( c1*e_6_3_3 &
49524 
49525 
49526  )
49527 
49528  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
49529  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
49530  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
49531  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
49532  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
49533  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
49534  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
49535  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
49536  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
49537  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
49538  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
49539  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
49540  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
49541  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
49542  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
49543  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
49544  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
49545  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
49546  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
49547  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
49548  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
49549  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
49550  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
49551  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
49552  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
49553  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
49554  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
49555  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
49556  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
49557  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
49558  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
49559  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
49560  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
49561  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
49562  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
49563  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
49564  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
49565  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
49566  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
49567  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
49568  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
49569  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
49570  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
49571  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
49572  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
49573  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
49574  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
49575  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
49576  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
49577  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
49578  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
49579  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
49580  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
49581  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
49582  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
49583  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
49584  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
49585  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
49586  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
49587  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
49588  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
49589  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
49590  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
49591  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
49592  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
49593  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
49594  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
49595  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
49596  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
49597  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
49598  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
49599  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
49600  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
49601  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
49602  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
49603  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
49604  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
49605  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
49606  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
49607  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
49608  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
49609  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
49610  s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
49611  s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
49612  s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
49613  s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
49614  s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
49615  s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
49616  s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
49617  s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
49618  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
49619  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
49620  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
49621  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
49622  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
49623  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
49624  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
49625  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
49626  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
49627  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
49628  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
49629  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
49630  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
49631  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
49632  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
49633  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
49634  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
49635  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
49636  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
49637  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
49638  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
49639  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
49640  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
49641  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
49642  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
49643  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
49644  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
49645  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
49646  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
49647  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
49648  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
49649  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
49650  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
49651  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
49652  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
49653  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
49654  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
49655  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
49656  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
49657  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
49658  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
49659  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
49660  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
49661  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
49662  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
49663  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
49664  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
49665  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
49666  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
49667  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
49668  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
49669  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
49670  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
49671  s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
49672  s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
49673  s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
49674  s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
49675  s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
49676  s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
49677  s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
49678  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
49679  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
49680  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
49681  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
49682  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
49683  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
49684  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
49685  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
49686  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
49687  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
49688  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
49689  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
49690  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
49691  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
49692  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
49693  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
49694  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
49695  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
49696  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
49697  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
49698  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
49699  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
49700  s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
49701  s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
49702  s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
49703  s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
49704  s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
49705  s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
49706  s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
49707  s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
49708  r1 = r1 + dr
49709  END DO
49710 
49711  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
49712  END SUBROUTINE
49713  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_3_2_exp_0 ( &
49714  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
49715  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
49716  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
49717  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
49718  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
49719  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
49720  r_pow_t, r_tmp, rr1_delta, rr2_delta
49721 
49722  REAL(kind=dp) :: c1, c2, c3
49723  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
49724  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
49725  & s_r_t2_9
49726  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
49727  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
49728  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
49729  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
49730  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
49731  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
49732  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
49733  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
49734  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
49735  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
49736  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
49737  & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
49738  & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3
49739 
49740 
49741  dr = lgth
49742  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
49743 
49744  s_r(:, :, :) = 0.0_dp
49745 
49746  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
49747 
49748  h_to_c_0_0 = sqrt(alpha/pi)
49749 
49750  h_to_c_0_1 = 0.0_dp
49751  h_to_c_1_1 = +2*alpha*h_to_c_0_0
49752  h_to_c_0_2 = -1*h_to_c_1_1
49753  h_to_c_1_2 = +2*alpha*h_to_c_0_1
49754  h_to_c_2_2 = +2*alpha*h_to_c_1_1
49755  h_to_c_0_3 = -1*h_to_c_1_2
49756  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
49757  h_to_c_2_3 = +2*alpha*h_to_c_1_2
49758  h_to_c_3_3 = +2*alpha*h_to_c_2_2
49759  h_to_c_0_4 = -1*h_to_c_1_3
49760  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
49761  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
49762  h_to_c_3_4 = +2*alpha*h_to_c_2_3
49763  h_to_c_4_4 = +2*alpha*h_to_c_3_3
49764  h_to_c_0_5 = -1*h_to_c_1_4
49765  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
49766  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
49767  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
49768  h_to_c_4_5 = +2*alpha*h_to_c_3_4
49769  h_to_c_5_5 = +2*alpha*h_to_c_4_4
49770  h_to_c_0_6 = -1*h_to_c_1_5
49771  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
49772  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
49773  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
49774  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
49775  h_to_c_5_6 = +2*alpha*h_to_c_4_5
49776  h_to_c_6_6 = +2*alpha*h_to_c_5_5
49777  h_to_c_0_7 = -1*h_to_c_1_6
49778  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
49779  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
49780  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
49781  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
49782  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
49783  h_to_c_6_7 = +2*alpha*h_to_c_5_6
49784  h_to_c_7_7 = +2*alpha*h_to_c_6_6
49785  h_to_c_0_8 = -1*h_to_c_1_7
49786  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
49787  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
49788  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
49789  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
49790  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
49791  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
49792  h_to_c_7_8 = +2*alpha*h_to_c_6_7
49793  h_to_c_8_8 = +2*alpha*h_to_c_7_7
49794  h_to_c_0_9 = -1*h_to_c_1_8
49795  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
49796  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
49797  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
49798  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
49799  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
49800  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
49801  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
49802  h_to_c_8_9 = +2*alpha*h_to_c_7_8
49803  h_to_c_9_9 = +2*alpha*h_to_c_8_8
49804 
49805 
49806  rr1_delta = (ra - rb)/dr
49807 
49808  rr1_l = ceiling(-r_c(1) + rr1_delta)
49809  rr1_r = floor(r_c(1) + rr1_delta)
49810 
49811  r1 = rr1_l*dr
49812 
49813  alpha_e = zeta*zetb/(zeta + zetb)
49814 
49815  DO rr1 = rr1_l, rr1_r
49816  s_r_t_0 = 0.0_dp
49817  s_r_t2_0 = 0.0_dp
49818  s_r_t_1 = 0.0_dp
49819  s_r_t2_1 = 0.0_dp
49820  s_r_t_2 = 0.0_dp
49821  s_r_t2_2 = 0.0_dp
49822  s_r_t_3 = 0.0_dp
49823  s_r_t2_3 = 0.0_dp
49824  s_r_t_4 = 0.0_dp
49825  s_r_t2_4 = 0.0_dp
49826  s_r_t_5 = 0.0_dp
49827  s_r_t2_5 = 0.0_dp
49828  s_r_t_6 = 0.0_dp
49829  s_r_t2_6 = 0.0_dp
49830  s_r_t_7 = 0.0_dp
49831  s_r_t2_7 = 0.0_dp
49832  s_r_t_8 = 0.0_dp
49833  s_r_t2_8 = 0.0_dp
49834  s_r_t_9 = 0.0_dp
49835  s_r_t2_9 = 0.0_dp
49836  r_tmp = r_offset + r1*zeta/(zeta + zetb)
49837  rr2_delta = -r_tmp/dr
49838 
49839  rr2_l = ceiling(-r_c(2) + rr2_delta)
49840  rr2_r = floor(r_c(2) + rr2_delta)
49841 
49842  r = r_tmp + (rr2_l)*dr
49843 
49844 
49845  DO rr2 = rr2_l, rr2_r
49846  r_pow_t = 1.0_dp
49847  exp2_rsq = exp(-alpha*r*r)
49848  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
49849  r_pow_t = r_pow_t*r
49850  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
49851  r_pow_t = r_pow_t*r
49852  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
49853  r_pow_t = r_pow_t*r
49854  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
49855  r_pow_t = r_pow_t*r
49856  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
49857  r_pow_t = r_pow_t*r
49858  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
49859  r_pow_t = r_pow_t*r
49860  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
49861  r_pow_t = r_pow_t*r
49862  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
49863  r_pow_t = r_pow_t*r
49864  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
49865  r_pow_t = r_pow_t*r
49866  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
49867 
49868  r = r + dr
49869  END DO
49870 
49871  ! C --> H
49872  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
49873  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
49874  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
49875  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
49876  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
49877  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
49878  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
49879  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
49880  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
49881  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
49882  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
49883  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
49884  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
49885  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
49886  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
49887  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
49888  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
49889  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
49890  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
49891  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
49892  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
49893  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
49894  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
49895  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
49896  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
49897  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
49898  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
49899  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
49900  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
49901  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
49902  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
49903  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
49904  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
49905  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
49906  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
49907  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
49908  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
49909  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
49910  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
49911  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
49912  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
49913  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
49914  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
49915  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
49916  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
49917  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
49918  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
49919  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
49920  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
49921  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
49922  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
49923  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
49924  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
49925  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
49926  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
49927 
49928  ! H --> HH
49929  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
49930 
49931  c1 = 1.0_dp/(zeta + zetb)
49932  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
49933  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
49934 
49935  e_0_1_0 = zeta*( &
49936  +c2*e_0_0_0&
49937 
49938  )
49939  e_0_0_1 = zetb*( &
49940  +c3*e_0_0_0&
49941 
49942  )
49943  e_1_1_0 = zeta*( c1*e_0_0_0 &
49944 
49945 
49946  )
49947  e_1_0_1 = zetb*( c1*e_0_0_0 &
49948 
49949 
49950  )
49951  e_0_2_0 = zeta*( &
49952  +c2*e_0_1_0&
49953  +2*e_1_1_0 &
49954  -2*e_0_0_0)
49955  e_0_1_1 = zetb*( &
49956  +c3*e_0_1_0&
49957  +2*e_1_1_0 &
49958  )
49959  e_1_2_0 = zeta*( c1*e_0_1_0 &
49960  +c2*e_1_1_0&
49961 
49962  )
49963  e_1_1_1 = zetb*( c1*e_0_1_0 &
49964  +c3*e_1_1_0&
49965 
49966  )
49967  e_2_2_0 = zeta*( c1*e_1_1_0 &
49968 
49969 
49970  )
49971  e_2_1_1 = zetb*( c1*e_1_1_0 &
49972 
49973 
49974  )
49975  e_0_3_0 = zeta*( &
49976  +c2*e_0_2_0&
49977  +2*e_1_2_0 &
49978  -4*e_0_1_0)
49979  e_0_2_1 = zetb*( &
49980  +c3*e_0_2_0&
49981  +2*e_1_2_0 &
49982  )
49983  e_1_3_0 = zeta*( c1*e_0_2_0 &
49984  +c2*e_1_2_0&
49985  +4*e_2_2_0 &
49986  -4*e_1_1_0)
49987  e_1_2_1 = zetb*( c1*e_0_2_0 &
49988  +c3*e_1_2_0&
49989  +4*e_2_2_0 &
49990  )
49991  e_2_3_0 = zeta*( c1*e_1_2_0 &
49992  +c2*e_2_2_0&
49993 
49994  )
49995  e_2_2_1 = zetb*( c1*e_1_2_0 &
49996  +c3*e_2_2_0&
49997 
49998  )
49999  e_3_3_0 = zeta*( c1*e_2_2_0 &
50000 
50001 
50002  )
50003  e_3_2_1 = zetb*( c1*e_2_2_0 &
50004 
50005 
50006  )
50007  e_0_4_0 = zeta*( &
50008  +c2*e_0_3_0&
50009  +2*e_1_3_0 &
50010  -6*e_0_2_0)
50011  e_0_3_1 = zetb*( &
50012  +c3*e_0_3_0&
50013  +2*e_1_3_0 &
50014  )
50015  e_1_4_0 = zeta*( c1*e_0_3_0 &
50016  +c2*e_1_3_0&
50017  +4*e_2_3_0 &
50018  -6*e_1_2_0)
50019  e_1_3_1 = zetb*( c1*e_0_3_0 &
50020  +c3*e_1_3_0&
50021  +4*e_2_3_0 &
50022  )
50023  e_2_4_0 = zeta*( c1*e_1_3_0 &
50024  +c2*e_2_3_0&
50025  +6*e_3_3_0 &
50026  -6*e_2_2_0)
50027  e_2_3_1 = zetb*( c1*e_1_3_0 &
50028  +c3*e_2_3_0&
50029  +6*e_3_3_0 &
50030  )
50031  e_3_4_0 = zeta*( c1*e_2_3_0 &
50032  +c2*e_3_3_0&
50033 
50034  )
50035  e_3_3_1 = zetb*( c1*e_2_3_0 &
50036  +c3*e_3_3_0&
50037 
50038  )
50039  e_4_4_0 = zeta*( c1*e_3_3_0 &
50040 
50041 
50042  )
50043  e_4_3_1 = zetb*( c1*e_3_3_0 &
50044 
50045 
50046  )
50047  e_0_4_1 = zetb*( &
50048  +c3*e_0_4_0&
50049  +2*e_1_4_0 &
50050  )
50051  e_1_4_1 = zetb*( c1*e_0_4_0 &
50052  +c3*e_1_4_0&
50053  +4*e_2_4_0 &
50054  )
50055  e_2_4_1 = zetb*( c1*e_1_4_0 &
50056  +c3*e_2_4_0&
50057  +6*e_3_4_0 &
50058  )
50059  e_3_4_1 = zetb*( c1*e_2_4_0 &
50060  +c3*e_3_4_0&
50061  +8*e_4_4_0 &
50062  )
50063  e_4_4_1 = zetb*( c1*e_3_4_0 &
50064  +c3*e_4_4_0&
50065 
50066  )
50067  e_5_4_1 = zetb*( c1*e_4_4_0 &
50068 
50069 
50070  )
50071  e_0_1_1 = zeta*( &
50072  +c2*e_0_0_1&
50073  +2*e_1_0_1 &
50074  )
50075  e_0_0_2 = zetb*( &
50076  +c3*e_0_0_1&
50077  +2*e_1_0_1 &
50078  -2*e_0_0_0)
50079  e_1_1_1 = zeta*( c1*e_0_0_1 &
50080  +c2*e_1_0_1&
50081 
50082  )
50083  e_1_0_2 = zetb*( c1*e_0_0_1 &
50084  +c3*e_1_0_1&
50085 
50086  )
50087  e_2_1_1 = zeta*( c1*e_1_0_1 &
50088 
50089 
50090  )
50091  e_2_0_2 = zetb*( c1*e_1_0_1 &
50092 
50093 
50094  )
50095  e_0_2_1 = zeta*( &
50096  +c2*e_0_1_1&
50097  +2*e_1_1_1 &
50098  -2*e_0_0_1)
50099  e_0_1_2 = zetb*( &
50100  +c3*e_0_1_1&
50101  +2*e_1_1_1 &
50102  -2*e_0_1_0)
50103  e_1_2_1 = zeta*( c1*e_0_1_1 &
50104  +c2*e_1_1_1&
50105  +4*e_2_1_1 &
50106  -2*e_1_0_1)
50107  e_1_1_2 = zetb*( c1*e_0_1_1 &
50108  +c3*e_1_1_1&
50109  +4*e_2_1_1 &
50110  -2*e_1_1_0)
50111  e_2_2_1 = zeta*( c1*e_1_1_1 &
50112  +c2*e_2_1_1&
50113 
50114  )
50115  e_2_1_2 = zetb*( c1*e_1_1_1 &
50116  +c3*e_2_1_1&
50117 
50118  )
50119  e_3_2_1 = zeta*( c1*e_2_1_1 &
50120 
50121 
50122  )
50123  e_3_1_2 = zetb*( c1*e_2_1_1 &
50124 
50125 
50126  )
50127  e_0_3_1 = zeta*( &
50128  +c2*e_0_2_1&
50129  +2*e_1_2_1 &
50130  -4*e_0_1_1)
50131  e_0_2_2 = zetb*( &
50132  +c3*e_0_2_1&
50133  +2*e_1_2_1 &
50134  -2*e_0_2_0)
50135  e_1_3_1 = zeta*( c1*e_0_2_1 &
50136  +c2*e_1_2_1&
50137  +4*e_2_2_1 &
50138  -4*e_1_1_1)
50139  e_1_2_2 = zetb*( c1*e_0_2_1 &
50140  +c3*e_1_2_1&
50141  +4*e_2_2_1 &
50142  -2*e_1_2_0)
50143  e_2_3_1 = zeta*( c1*e_1_2_1 &
50144  +c2*e_2_2_1&
50145  +6*e_3_2_1 &
50146  -4*e_2_1_1)
50147  e_2_2_2 = zetb*( c1*e_1_2_1 &
50148  +c3*e_2_2_1&
50149  +6*e_3_2_1 &
50150  -2*e_2_2_0)
50151  e_3_3_1 = zeta*( c1*e_2_2_1 &
50152  +c2*e_3_2_1&
50153 
50154  )
50155  e_3_2_2 = zetb*( c1*e_2_2_1 &
50156  +c3*e_3_2_1&
50157 
50158  )
50159  e_4_3_1 = zeta*( c1*e_3_2_1 &
50160 
50161 
50162  )
50163  e_4_2_2 = zetb*( c1*e_3_2_1 &
50164 
50165 
50166  )
50167  e_0_4_1 = zeta*( &
50168  +c2*e_0_3_1&
50169  +2*e_1_3_1 &
50170  -6*e_0_2_1)
50171  e_0_3_2 = zetb*( &
50172  +c3*e_0_3_1&
50173  +2*e_1_3_1 &
50174  -2*e_0_3_0)
50175  e_1_4_1 = zeta*( c1*e_0_3_1 &
50176  +c2*e_1_3_1&
50177  +4*e_2_3_1 &
50178  -6*e_1_2_1)
50179  e_1_3_2 = zetb*( c1*e_0_3_1 &
50180  +c3*e_1_3_1&
50181  +4*e_2_3_1 &
50182  -2*e_1_3_0)
50183  e_2_4_1 = zeta*( c1*e_1_3_1 &
50184  +c2*e_2_3_1&
50185  +6*e_3_3_1 &
50186  -6*e_2_2_1)
50187  e_2_3_2 = zetb*( c1*e_1_3_1 &
50188  +c3*e_2_3_1&
50189  +6*e_3_3_1 &
50190  -2*e_2_3_0)
50191  e_3_4_1 = zeta*( c1*e_2_3_1 &
50192  +c2*e_3_3_1&
50193  +8*e_4_3_1 &
50194  -6*e_3_2_1)
50195  e_3_3_2 = zetb*( c1*e_2_3_1 &
50196  +c3*e_3_3_1&
50197  +8*e_4_3_1 &
50198  -2*e_3_3_0)
50199  e_4_4_1 = zeta*( c1*e_3_3_1 &
50200  +c2*e_4_3_1&
50201 
50202  )
50203  e_4_3_2 = zetb*( c1*e_3_3_1 &
50204  +c3*e_4_3_1&
50205 
50206  )
50207  e_5_4_1 = zeta*( c1*e_4_3_1 &
50208 
50209 
50210  )
50211  e_5_3_2 = zetb*( c1*e_4_3_1 &
50212 
50213 
50214  )
50215  e_0_4_2 = zetb*( &
50216  +c3*e_0_4_1&
50217  +2*e_1_4_1 &
50218  -2*e_0_4_0)
50219  e_1_4_2 = zetb*( c1*e_0_4_1 &
50220  +c3*e_1_4_1&
50221  +4*e_2_4_1 &
50222  -2*e_1_4_0)
50223  e_2_4_2 = zetb*( c1*e_1_4_1 &
50224  +c3*e_2_4_1&
50225  +6*e_3_4_1 &
50226  -2*e_2_4_0)
50227  e_3_4_2 = zetb*( c1*e_2_4_1 &
50228  +c3*e_3_4_1&
50229  +8*e_4_4_1 &
50230  -2*e_3_4_0)
50231  e_4_4_2 = zetb*( c1*e_3_4_1 &
50232  +c3*e_4_4_1&
50233  +10*e_5_4_1 &
50234  -2*e_4_4_0)
50235  e_5_4_2 = zetb*( c1*e_4_4_1 &
50236  +c3*e_5_4_1&
50237 
50238  )
50239  e_6_4_2 = zetb*( c1*e_5_4_1 &
50240 
50241 
50242  )
50243  e_0_1_2 = zeta*( &
50244  +c2*e_0_0_2&
50245  +2*e_1_0_2 &
50246  )
50247  e_0_0_3 = zetb*( &
50248  +c3*e_0_0_2&
50249  +2*e_1_0_2 &
50250  -4*e_0_0_1)
50251  e_1_1_2 = zeta*( c1*e_0_0_2 &
50252  +c2*e_1_0_2&
50253  +4*e_2_0_2 &
50254  )
50255  e_1_0_3 = zetb*( c1*e_0_0_2 &
50256  +c3*e_1_0_2&
50257  +4*e_2_0_2 &
50258  -4*e_1_0_1)
50259  e_2_1_2 = zeta*( c1*e_1_0_2 &
50260  +c2*e_2_0_2&
50261 
50262  )
50263  e_2_0_3 = zetb*( c1*e_1_0_2 &
50264  +c3*e_2_0_2&
50265 
50266  )
50267  e_3_1_2 = zeta*( c1*e_2_0_2 &
50268 
50269 
50270  )
50271  e_3_0_3 = zetb*( c1*e_2_0_2 &
50272 
50273 
50274  )
50275  e_0_2_2 = zeta*( &
50276  +c2*e_0_1_2&
50277  +2*e_1_1_2 &
50278  -2*e_0_0_2)
50279  e_0_1_3 = zetb*( &
50280  +c3*e_0_1_2&
50281  +2*e_1_1_2 &
50282  -4*e_0_1_1)
50283  e_1_2_2 = zeta*( c1*e_0_1_2 &
50284  +c2*e_1_1_2&
50285  +4*e_2_1_2 &
50286  -2*e_1_0_2)
50287  e_1_1_3 = zetb*( c1*e_0_1_2 &
50288  +c3*e_1_1_2&
50289  +4*e_2_1_2 &
50290  -4*e_1_1_1)
50291  e_2_2_2 = zeta*( c1*e_1_1_2 &
50292  +c2*e_2_1_2&
50293  +6*e_3_1_2 &
50294  -2*e_2_0_2)
50295  e_2_1_3 = zetb*( c1*e_1_1_2 &
50296  +c3*e_2_1_2&
50297  +6*e_3_1_2 &
50298  -4*e_2_1_1)
50299  e_3_2_2 = zeta*( c1*e_2_1_2 &
50300  +c2*e_3_1_2&
50301 
50302  )
50303  e_3_1_3 = zetb*( c1*e_2_1_2 &
50304  +c3*e_3_1_2&
50305 
50306  )
50307  e_4_2_2 = zeta*( c1*e_3_1_2 &
50308 
50309 
50310  )
50311  e_4_1_3 = zetb*( c1*e_3_1_2 &
50312 
50313 
50314  )
50315  e_0_3_2 = zeta*( &
50316  +c2*e_0_2_2&
50317  +2*e_1_2_2 &
50318  -4*e_0_1_2)
50319  e_0_2_3 = zetb*( &
50320  +c3*e_0_2_2&
50321  +2*e_1_2_2 &
50322  -4*e_0_2_1)
50323  e_1_3_2 = zeta*( c1*e_0_2_2 &
50324  +c2*e_1_2_2&
50325  +4*e_2_2_2 &
50326  -4*e_1_1_2)
50327  e_1_2_3 = zetb*( c1*e_0_2_2 &
50328  +c3*e_1_2_2&
50329  +4*e_2_2_2 &
50330  -4*e_1_2_1)
50331  e_2_3_2 = zeta*( c1*e_1_2_2 &
50332  +c2*e_2_2_2&
50333  +6*e_3_2_2 &
50334  -4*e_2_1_2)
50335  e_2_2_3 = zetb*( c1*e_1_2_2 &
50336  +c3*e_2_2_2&
50337  +6*e_3_2_2 &
50338  -4*e_2_2_1)
50339  e_3_3_2 = zeta*( c1*e_2_2_2 &
50340  +c2*e_3_2_2&
50341  +8*e_4_2_2 &
50342  -4*e_3_1_2)
50343  e_3_2_3 = zetb*( c1*e_2_2_2 &
50344  +c3*e_3_2_2&
50345  +8*e_4_2_2 &
50346  -4*e_3_2_1)
50347  e_4_3_2 = zeta*( c1*e_3_2_2 &
50348  +c2*e_4_2_2&
50349 
50350  )
50351  e_4_2_3 = zetb*( c1*e_3_2_2 &
50352  +c3*e_4_2_2&
50353 
50354  )
50355  e_5_3_2 = zeta*( c1*e_4_2_2 &
50356 
50357 
50358  )
50359  e_5_2_3 = zetb*( c1*e_4_2_2 &
50360 
50361 
50362  )
50363  e_0_4_2 = zeta*( &
50364  +c2*e_0_3_2&
50365  +2*e_1_3_2 &
50366  -6*e_0_2_2)
50367  e_0_3_3 = zetb*( &
50368  +c3*e_0_3_2&
50369  +2*e_1_3_2 &
50370  -4*e_0_3_1)
50371  e_1_4_2 = zeta*( c1*e_0_3_2 &
50372  +c2*e_1_3_2&
50373  +4*e_2_3_2 &
50374  -6*e_1_2_2)
50375  e_1_3_3 = zetb*( c1*e_0_3_2 &
50376  +c3*e_1_3_2&
50377  +4*e_2_3_2 &
50378  -4*e_1_3_1)
50379  e_2_4_2 = zeta*( c1*e_1_3_2 &
50380  +c2*e_2_3_2&
50381  +6*e_3_3_2 &
50382  -6*e_2_2_2)
50383  e_2_3_3 = zetb*( c1*e_1_3_2 &
50384  +c3*e_2_3_2&
50385  +6*e_3_3_2 &
50386  -4*e_2_3_1)
50387  e_3_4_2 = zeta*( c1*e_2_3_2 &
50388  +c2*e_3_3_2&
50389  +8*e_4_3_2 &
50390  -6*e_3_2_2)
50391  e_3_3_3 = zetb*( c1*e_2_3_2 &
50392  +c3*e_3_3_2&
50393  +8*e_4_3_2 &
50394  -4*e_3_3_1)
50395  e_4_4_2 = zeta*( c1*e_3_3_2 &
50396  +c2*e_4_3_2&
50397  +10*e_5_3_2 &
50398  -6*e_4_2_2)
50399  e_4_3_3 = zetb*( c1*e_3_3_2 &
50400  +c3*e_4_3_2&
50401  +10*e_5_3_2 &
50402  -4*e_4_3_1)
50403  e_5_4_2 = zeta*( c1*e_4_3_2 &
50404  +c2*e_5_3_2&
50405 
50406  )
50407  e_5_3_3 = zetb*( c1*e_4_3_2 &
50408  +c3*e_5_3_2&
50409 
50410  )
50411  e_6_4_2 = zeta*( c1*e_5_3_2 &
50412 
50413 
50414  )
50415  e_6_3_3 = zetb*( c1*e_5_3_2 &
50416 
50417 
50418  )
50419  e_0_4_3 = zetb*( &
50420  +c3*e_0_4_2&
50421  +2*e_1_4_2 &
50422  -4*e_0_4_1)
50423  e_1_4_3 = zetb*( c1*e_0_4_2 &
50424  +c3*e_1_4_2&
50425  +4*e_2_4_2 &
50426  -4*e_1_4_1)
50427  e_2_4_3 = zetb*( c1*e_1_4_2 &
50428  +c3*e_2_4_2&
50429  +6*e_3_4_2 &
50430  -4*e_2_4_1)
50431  e_3_4_3 = zetb*( c1*e_2_4_2 &
50432  +c3*e_3_4_2&
50433  +8*e_4_4_2 &
50434  -4*e_3_4_1)
50435  e_4_4_3 = zetb*( c1*e_3_4_2 &
50436  +c3*e_4_4_2&
50437  +10*e_5_4_2 &
50438  -4*e_4_4_1)
50439  e_5_4_3 = zetb*( c1*e_4_4_2 &
50440  +c3*e_5_4_2&
50441  +12*e_6_4_2 &
50442  -4*e_5_4_1)
50443  e_6_4_3 = zetb*( c1*e_5_4_2 &
50444  +c3*e_6_4_2&
50445 
50446  )
50447  e_7_4_3 = zetb*( c1*e_6_4_2 &
50448 
50449 
50450  )
50451  e_0_1_3 = zeta*( &
50452  +c2*e_0_0_3&
50453  +2*e_1_0_3 &
50454  )
50455  e_1_1_3 = zeta*( c1*e_0_0_3 &
50456  +c2*e_1_0_3&
50457  +4*e_2_0_3 &
50458  )
50459  e_2_1_3 = zeta*( c1*e_1_0_3 &
50460  +c2*e_2_0_3&
50461  +6*e_3_0_3 &
50462  )
50463  e_3_1_3 = zeta*( c1*e_2_0_3 &
50464  +c2*e_3_0_3&
50465 
50466  )
50467  e_4_1_3 = zeta*( c1*e_3_0_3 &
50468 
50469 
50470  )
50471  e_0_2_3 = zeta*( &
50472  +c2*e_0_1_3&
50473  +2*e_1_1_3 &
50474  -2*e_0_0_3)
50475  e_1_2_3 = zeta*( c1*e_0_1_3 &
50476  +c2*e_1_1_3&
50477  +4*e_2_1_3 &
50478  -2*e_1_0_3)
50479  e_2_2_3 = zeta*( c1*e_1_1_3 &
50480  +c2*e_2_1_3&
50481  +6*e_3_1_3 &
50482  -2*e_2_0_3)
50483  e_3_2_3 = zeta*( c1*e_2_1_3 &
50484  +c2*e_3_1_3&
50485  +8*e_4_1_3 &
50486  -2*e_3_0_3)
50487  e_4_2_3 = zeta*( c1*e_3_1_3 &
50488  +c2*e_4_1_3&
50489 
50490  )
50491  e_5_2_3 = zeta*( c1*e_4_1_3 &
50492 
50493 
50494  )
50495  e_0_3_3 = zeta*( &
50496  +c2*e_0_2_3&
50497  +2*e_1_2_3 &
50498  -4*e_0_1_3)
50499  e_1_3_3 = zeta*( c1*e_0_2_3 &
50500  +c2*e_1_2_3&
50501  +4*e_2_2_3 &
50502  -4*e_1_1_3)
50503  e_2_3_3 = zeta*( c1*e_1_2_3 &
50504  +c2*e_2_2_3&
50505  +6*e_3_2_3 &
50506  -4*e_2_1_3)
50507  e_3_3_3 = zeta*( c1*e_2_2_3 &
50508  +c2*e_3_2_3&
50509  +8*e_4_2_3 &
50510  -4*e_3_1_3)
50511  e_4_3_3 = zeta*( c1*e_3_2_3 &
50512  +c2*e_4_2_3&
50513  +10*e_5_2_3 &
50514  -4*e_4_1_3)
50515  e_5_3_3 = zeta*( c1*e_4_2_3 &
50516  +c2*e_5_2_3&
50517 
50518  )
50519  e_6_3_3 = zeta*( c1*e_5_2_3 &
50520 
50521 
50522  )
50523  e_0_4_3 = zeta*( &
50524  +c2*e_0_3_3&
50525  +2*e_1_3_3 &
50526  -6*e_0_2_3)
50527  e_1_4_3 = zeta*( c1*e_0_3_3 &
50528  +c2*e_1_3_3&
50529  +4*e_2_3_3 &
50530  -6*e_1_2_3)
50531  e_2_4_3 = zeta*( c1*e_1_3_3 &
50532  +c2*e_2_3_3&
50533  +6*e_3_3_3 &
50534  -6*e_2_2_3)
50535  e_3_4_3 = zeta*( c1*e_2_3_3 &
50536  +c2*e_3_3_3&
50537  +8*e_4_3_3 &
50538  -6*e_3_2_3)
50539  e_4_4_3 = zeta*( c1*e_3_3_3 &
50540  +c2*e_4_3_3&
50541  +10*e_5_3_3 &
50542  -6*e_4_2_3)
50543  e_5_4_3 = zeta*( c1*e_4_3_3 &
50544  +c2*e_5_3_3&
50545  +12*e_6_3_3 &
50546  -6*e_5_2_3)
50547  e_6_4_3 = zeta*( c1*e_5_3_3 &
50548  +c2*e_6_3_3&
50549 
50550  )
50551  e_7_4_3 = zeta*( c1*e_6_3_3 &
50552 
50553 
50554  )
50555 
50556  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
50557  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
50558  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
50559  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
50560  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
50561  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
50562  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
50563  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
50564  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
50565  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
50566  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
50567  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
50568  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
50569  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
50570  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
50571  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
50572  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
50573  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
50574  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
50575  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
50576  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
50577  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
50578  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
50579  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
50580  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
50581  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
50582  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
50583  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
50584  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
50585  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
50586  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
50587  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
50588  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
50589  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
50590  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
50591  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
50592  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
50593  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
50594  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
50595  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
50596  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
50597  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
50598  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
50599  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
50600  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
50601  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
50602  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
50603  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
50604  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
50605  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
50606  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
50607  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
50608  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
50609  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
50610  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
50611  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
50612  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
50613  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
50614  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
50615  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
50616  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
50617  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
50618  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
50619  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
50620  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
50621  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
50622  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
50623  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
50624  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
50625  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
50626  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
50627  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
50628  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
50629  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
50630  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
50631  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
50632  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
50633  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
50634  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
50635  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
50636  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
50637  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
50638  s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
50639  s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
50640  s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
50641  s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
50642  s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
50643  s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
50644  s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
50645  s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
50646  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
50647  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
50648  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
50649  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
50650  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
50651  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
50652  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
50653  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
50654  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
50655  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
50656  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
50657  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
50658  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
50659  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
50660  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
50661  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
50662  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
50663  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
50664  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
50665  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
50666  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
50667  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
50668  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
50669  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
50670  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
50671  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
50672  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
50673  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
50674  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
50675  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
50676  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
50677  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
50678  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
50679  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
50680  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
50681  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
50682  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
50683  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
50684  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
50685  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
50686  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
50687  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
50688  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
50689  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
50690  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
50691  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
50692  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
50693  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
50694  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
50695  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
50696  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
50697  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
50698  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
50699  s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
50700  s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
50701  s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
50702  s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
50703  s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
50704  s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
50705  s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
50706  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
50707  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
50708  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
50709  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
50710  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
50711  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
50712  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
50713  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
50714  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
50715  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
50716  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
50717  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
50718  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
50719  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
50720  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
50721  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
50722  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
50723  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
50724  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
50725  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
50726  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
50727  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
50728  s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
50729  s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
50730  s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
50731  s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
50732  s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
50733  s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
50734  s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
50735  s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
50736  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
50737  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
50738  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
50739  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
50740  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
50741  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
50742  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
50743  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
50744  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
50745  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
50746  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
50747  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
50748  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
50749  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
50750  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
50751  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
50752  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
50753  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
50754  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
50755  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
50756  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
50757  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
50758  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
50759  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
50760  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
50761  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
50762  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
50763  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
50764  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
50765  s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
50766  s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
50767  s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
50768  s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
50769  s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
50770  s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
50771  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
50772  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
50773  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
50774  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
50775  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
50776  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
50777  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
50778  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
50779  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
50780  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
50781  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
50782  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
50783  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
50784  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
50785  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
50786  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
50787  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
50788  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
50789  s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
50790  s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
50791  s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
50792  s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
50793  s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
50794  s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
50795  s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
50796  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
50797  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
50798  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
50799  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
50800  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
50801  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
50802  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
50803  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
50804  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
50805  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
50806  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
50807  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
50808  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
50809  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
50810  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
50811  s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
50812  s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
50813  s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
50814  s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
50815  s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
50816  s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
50817  s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
50818  s_r(4, 3, 2) = s_r(4, 3, 2) + e_0_4_3*(1)*s_r_t2_2 ! cost: 5 flops
50819  s_r(4, 3, 2) = s_r(4, 3, 2) + e_1_4_3*(1)*s_r_t2_3 ! cost: 5 flops
50820  s_r(4, 3, 2) = s_r(4, 3, 2) + e_2_4_3*(1)*s_r_t2_4 ! cost: 5 flops
50821  s_r(4, 3, 2) = s_r(4, 3, 2) + e_3_4_3*(1)*s_r_t2_5 ! cost: 5 flops
50822  s_r(4, 3, 2) = s_r(4, 3, 2) + e_4_4_3*(1)*s_r_t2_6 ! cost: 5 flops
50823  s_r(4, 3, 2) = s_r(4, 3, 2) + e_5_4_3*(1)*s_r_t2_7 ! cost: 5 flops
50824  s_r(4, 3, 2) = s_r(4, 3, 2) + e_6_4_3*(1)*s_r_t2_8 ! cost: 5 flops
50825  s_r(4, 3, 2) = s_r(4, 3, 2) + e_7_4_3*(1)*s_r_t2_9 ! cost: 5 flops
50826  r1 = r1 + dr
50827  END DO
50828 
50829  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
50830  END SUBROUTINE
50831  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_3_3_exp_0 ( &
50832  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
50833  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
50834  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
50835  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
50836  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
50837  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
50838  r_pow_t, r_tmp, rr1_delta, rr2_delta
50839 
50840  REAL(kind=dp) :: c1, c2, c3
50841  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
50842  & s_r_t_10
50843  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
50844  & s_r_t2_9, s_r_t2_10
50845  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
50846  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
50847  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
50848  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
50849  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
50850  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
50851  & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10
50852  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
50853  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
50854  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
50855  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
50856  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
50857  & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
50858  & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3
50859 
50860 
50861  dr = lgth
50862  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
50863 
50864  s_r(:, :, :) = 0.0_dp
50865 
50866  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
50867 
50868  h_to_c_0_0 = sqrt(alpha/pi)
50869 
50870  h_to_c_0_1 = 0.0_dp
50871  h_to_c_1_1 = +2*alpha*h_to_c_0_0
50872  h_to_c_0_2 = -1*h_to_c_1_1
50873  h_to_c_1_2 = +2*alpha*h_to_c_0_1
50874  h_to_c_2_2 = +2*alpha*h_to_c_1_1
50875  h_to_c_0_3 = -1*h_to_c_1_2
50876  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
50877  h_to_c_2_3 = +2*alpha*h_to_c_1_2
50878  h_to_c_3_3 = +2*alpha*h_to_c_2_2
50879  h_to_c_0_4 = -1*h_to_c_1_3
50880  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
50881  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
50882  h_to_c_3_4 = +2*alpha*h_to_c_2_3
50883  h_to_c_4_4 = +2*alpha*h_to_c_3_3
50884  h_to_c_0_5 = -1*h_to_c_1_4
50885  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
50886  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
50887  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
50888  h_to_c_4_5 = +2*alpha*h_to_c_3_4
50889  h_to_c_5_5 = +2*alpha*h_to_c_4_4
50890  h_to_c_0_6 = -1*h_to_c_1_5
50891  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
50892  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
50893  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
50894  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
50895  h_to_c_5_6 = +2*alpha*h_to_c_4_5
50896  h_to_c_6_6 = +2*alpha*h_to_c_5_5
50897  h_to_c_0_7 = -1*h_to_c_1_6
50898  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
50899  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
50900  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
50901  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
50902  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
50903  h_to_c_6_7 = +2*alpha*h_to_c_5_6
50904  h_to_c_7_7 = +2*alpha*h_to_c_6_6
50905  h_to_c_0_8 = -1*h_to_c_1_7
50906  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
50907  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
50908  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
50909  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
50910  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
50911  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
50912  h_to_c_7_8 = +2*alpha*h_to_c_6_7
50913  h_to_c_8_8 = +2*alpha*h_to_c_7_7
50914  h_to_c_0_9 = -1*h_to_c_1_8
50915  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
50916  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
50917  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
50918  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
50919  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
50920  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
50921  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
50922  h_to_c_8_9 = +2*alpha*h_to_c_7_8
50923  h_to_c_9_9 = +2*alpha*h_to_c_8_8
50924  h_to_c_0_10 = -1*h_to_c_1_9
50925  h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
50926  h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
50927  h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
50928  h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
50929  h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
50930  h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
50931  h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
50932  h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
50933  h_to_c_9_10 = +2*alpha*h_to_c_8_9
50934  h_to_c_10_10 = +2*alpha*h_to_c_9_9
50935 
50936 
50937  rr1_delta = (ra - rb)/dr
50938 
50939  rr1_l = ceiling(-r_c(1) + rr1_delta)
50940  rr1_r = floor(r_c(1) + rr1_delta)
50941 
50942  r1 = rr1_l*dr
50943 
50944  alpha_e = zeta*zetb/(zeta + zetb)
50945 
50946  DO rr1 = rr1_l, rr1_r
50947  s_r_t_0 = 0.0_dp
50948  s_r_t2_0 = 0.0_dp
50949  s_r_t_1 = 0.0_dp
50950  s_r_t2_1 = 0.0_dp
50951  s_r_t_2 = 0.0_dp
50952  s_r_t2_2 = 0.0_dp
50953  s_r_t_3 = 0.0_dp
50954  s_r_t2_3 = 0.0_dp
50955  s_r_t_4 = 0.0_dp
50956  s_r_t2_4 = 0.0_dp
50957  s_r_t_5 = 0.0_dp
50958  s_r_t2_5 = 0.0_dp
50959  s_r_t_6 = 0.0_dp
50960  s_r_t2_6 = 0.0_dp
50961  s_r_t_7 = 0.0_dp
50962  s_r_t2_7 = 0.0_dp
50963  s_r_t_8 = 0.0_dp
50964  s_r_t2_8 = 0.0_dp
50965  s_r_t_9 = 0.0_dp
50966  s_r_t2_9 = 0.0_dp
50967  s_r_t_10 = 0.0_dp
50968  s_r_t2_10 = 0.0_dp
50969  r_tmp = r_offset + r1*zeta/(zeta + zetb)
50970  rr2_delta = -r_tmp/dr
50971 
50972  rr2_l = ceiling(-r_c(2) + rr2_delta)
50973  rr2_r = floor(r_c(2) + rr2_delta)
50974 
50975  r = r_tmp + (rr2_l)*dr
50976 
50977 
50978  DO rr2 = rr2_l, rr2_r
50979  r_pow_t = 1.0_dp
50980  exp2_rsq = exp(-alpha*r*r)
50981  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
50982  r_pow_t = r_pow_t*r
50983  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
50984  r_pow_t = r_pow_t*r
50985  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
50986  r_pow_t = r_pow_t*r
50987  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
50988  r_pow_t = r_pow_t*r
50989  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
50990  r_pow_t = r_pow_t*r
50991  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
50992  r_pow_t = r_pow_t*r
50993  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
50994  r_pow_t = r_pow_t*r
50995  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
50996  r_pow_t = r_pow_t*r
50997  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
50998  r_pow_t = r_pow_t*r
50999  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
51000  r_pow_t = r_pow_t*r
51001  s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
51002 
51003  r = r + dr
51004  END DO
51005 
51006  ! C --> H
51007  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
51008  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
51009  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
51010  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
51011  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
51012  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
51013  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
51014  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
51015  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
51016  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
51017  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
51018  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
51019  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
51020  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
51021  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
51022  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
51023  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
51024  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
51025  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
51026  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
51027  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
51028  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
51029  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
51030  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
51031  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
51032  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
51033  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
51034  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
51035  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
51036  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
51037  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
51038  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
51039  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
51040  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
51041  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
51042  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
51043  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
51044  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
51045  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
51046  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
51047  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
51048  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
51049  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
51050  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
51051  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
51052  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
51053  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
51054  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
51055  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
51056  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
51057  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
51058  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
51059  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
51060  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
51061  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
51062  s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
51063  s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
51064  s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
51065  s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
51066  s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
51067  s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
51068  s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
51069  s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
51070  s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
51071  s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
51072  s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
51073 
51074  ! H --> HH
51075  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
51076 
51077  c1 = 1.0_dp/(zeta + zetb)
51078  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
51079  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
51080 
51081  e_0_1_0 = zeta*( &
51082  +c2*e_0_0_0&
51083 
51084  )
51085  e_0_0_1 = zetb*( &
51086  +c3*e_0_0_0&
51087 
51088  )
51089  e_1_1_0 = zeta*( c1*e_0_0_0 &
51090 
51091 
51092  )
51093  e_1_0_1 = zetb*( c1*e_0_0_0 &
51094 
51095 
51096  )
51097  e_0_2_0 = zeta*( &
51098  +c2*e_0_1_0&
51099  +2*e_1_1_0 &
51100  -2*e_0_0_0)
51101  e_0_1_1 = zetb*( &
51102  +c3*e_0_1_0&
51103  +2*e_1_1_0 &
51104  )
51105  e_1_2_0 = zeta*( c1*e_0_1_0 &
51106  +c2*e_1_1_0&
51107 
51108  )
51109  e_1_1_1 = zetb*( c1*e_0_1_0 &
51110  +c3*e_1_1_0&
51111 
51112  )
51113  e_2_2_0 = zeta*( c1*e_1_1_0 &
51114 
51115 
51116  )
51117  e_2_1_1 = zetb*( c1*e_1_1_0 &
51118 
51119 
51120  )
51121  e_0_3_0 = zeta*( &
51122  +c2*e_0_2_0&
51123  +2*e_1_2_0 &
51124  -4*e_0_1_0)
51125  e_0_2_1 = zetb*( &
51126  +c3*e_0_2_0&
51127  +2*e_1_2_0 &
51128  )
51129  e_1_3_0 = zeta*( c1*e_0_2_0 &
51130  +c2*e_1_2_0&
51131  +4*e_2_2_0 &
51132  -4*e_1_1_0)
51133  e_1_2_1 = zetb*( c1*e_0_2_0 &
51134  +c3*e_1_2_0&
51135  +4*e_2_2_0 &
51136  )
51137  e_2_3_0 = zeta*( c1*e_1_2_0 &
51138  +c2*e_2_2_0&
51139 
51140  )
51141  e_2_2_1 = zetb*( c1*e_1_2_0 &
51142  +c3*e_2_2_0&
51143 
51144  )
51145  e_3_3_0 = zeta*( c1*e_2_2_0 &
51146 
51147 
51148  )
51149  e_3_2_1 = zetb*( c1*e_2_2_0 &
51150 
51151 
51152  )
51153  e_0_4_0 = zeta*( &
51154  +c2*e_0_3_0&
51155  +2*e_1_3_0 &
51156  -6*e_0_2_0)
51157  e_0_3_1 = zetb*( &
51158  +c3*e_0_3_0&
51159  +2*e_1_3_0 &
51160  )
51161  e_1_4_0 = zeta*( c1*e_0_3_0 &
51162  +c2*e_1_3_0&
51163  +4*e_2_3_0 &
51164  -6*e_1_2_0)
51165  e_1_3_1 = zetb*( c1*e_0_3_0 &
51166  +c3*e_1_3_0&
51167  +4*e_2_3_0 &
51168  )
51169  e_2_4_0 = zeta*( c1*e_1_3_0 &
51170  +c2*e_2_3_0&
51171  +6*e_3_3_0 &
51172  -6*e_2_2_0)
51173  e_2_3_1 = zetb*( c1*e_1_3_0 &
51174  +c3*e_2_3_0&
51175  +6*e_3_3_0 &
51176  )
51177  e_3_4_0 = zeta*( c1*e_2_3_0 &
51178  +c2*e_3_3_0&
51179 
51180  )
51181  e_3_3_1 = zetb*( c1*e_2_3_0 &
51182  +c3*e_3_3_0&
51183 
51184  )
51185  e_4_4_0 = zeta*( c1*e_3_3_0 &
51186 
51187 
51188  )
51189  e_4_3_1 = zetb*( c1*e_3_3_0 &
51190 
51191 
51192  )
51193  e_0_4_1 = zetb*( &
51194  +c3*e_0_4_0&
51195  +2*e_1_4_0 &
51196  )
51197  e_1_4_1 = zetb*( c1*e_0_4_0 &
51198  +c3*e_1_4_0&
51199  +4*e_2_4_0 &
51200  )
51201  e_2_4_1 = zetb*( c1*e_1_4_0 &
51202  +c3*e_2_4_0&
51203  +6*e_3_4_0 &
51204  )
51205  e_3_4_1 = zetb*( c1*e_2_4_0 &
51206  +c3*e_3_4_0&
51207  +8*e_4_4_0 &
51208  )
51209  e_4_4_1 = zetb*( c1*e_3_4_0 &
51210  +c3*e_4_4_0&
51211 
51212  )
51213  e_5_4_1 = zetb*( c1*e_4_4_0 &
51214 
51215 
51216  )
51217  e_0_1_1 = zeta*( &
51218  +c2*e_0_0_1&
51219  +2*e_1_0_1 &
51220  )
51221  e_0_0_2 = zetb*( &
51222  +c3*e_0_0_1&
51223  +2*e_1_0_1 &
51224  -2*e_0_0_0)
51225  e_1_1_1 = zeta*( c1*e_0_0_1 &
51226  +c2*e_1_0_1&
51227 
51228  )
51229  e_1_0_2 = zetb*( c1*e_0_0_1 &
51230  +c3*e_1_0_1&
51231 
51232  )
51233  e_2_1_1 = zeta*( c1*e_1_0_1 &
51234 
51235 
51236  )
51237  e_2_0_2 = zetb*( c1*e_1_0_1 &
51238 
51239 
51240  )
51241  e_0_2_1 = zeta*( &
51242  +c2*e_0_1_1&
51243  +2*e_1_1_1 &
51244  -2*e_0_0_1)
51245  e_0_1_2 = zetb*( &
51246  +c3*e_0_1_1&
51247  +2*e_1_1_1 &
51248  -2*e_0_1_0)
51249  e_1_2_1 = zeta*( c1*e_0_1_1 &
51250  +c2*e_1_1_1&
51251  +4*e_2_1_1 &
51252  -2*e_1_0_1)
51253  e_1_1_2 = zetb*( c1*e_0_1_1 &
51254  +c3*e_1_1_1&
51255  +4*e_2_1_1 &
51256  -2*e_1_1_0)
51257  e_2_2_1 = zeta*( c1*e_1_1_1 &
51258  +c2*e_2_1_1&
51259 
51260  )
51261  e_2_1_2 = zetb*( c1*e_1_1_1 &
51262  +c3*e_2_1_1&
51263 
51264  )
51265  e_3_2_1 = zeta*( c1*e_2_1_1 &
51266 
51267 
51268  )
51269  e_3_1_2 = zetb*( c1*e_2_1_1 &
51270 
51271 
51272  )
51273  e_0_3_1 = zeta*( &
51274  +c2*e_0_2_1&
51275  +2*e_1_2_1 &
51276  -4*e_0_1_1)
51277  e_0_2_2 = zetb*( &
51278  +c3*e_0_2_1&
51279  +2*e_1_2_1 &
51280  -2*e_0_2_0)
51281  e_1_3_1 = zeta*( c1*e_0_2_1 &
51282  +c2*e_1_2_1&
51283  +4*e_2_2_1 &
51284  -4*e_1_1_1)
51285  e_1_2_2 = zetb*( c1*e_0_2_1 &
51286  +c3*e_1_2_1&
51287  +4*e_2_2_1 &
51288  -2*e_1_2_0)
51289  e_2_3_1 = zeta*( c1*e_1_2_1 &
51290  +c2*e_2_2_1&
51291  +6*e_3_2_1 &
51292  -4*e_2_1_1)
51293  e_2_2_2 = zetb*( c1*e_1_2_1 &
51294  +c3*e_2_2_1&
51295  +6*e_3_2_1 &
51296  -2*e_2_2_0)
51297  e_3_3_1 = zeta*( c1*e_2_2_1 &
51298  +c2*e_3_2_1&
51299 
51300  )
51301  e_3_2_2 = zetb*( c1*e_2_2_1 &
51302  +c3*e_3_2_1&
51303 
51304  )
51305  e_4_3_1 = zeta*( c1*e_3_2_1 &
51306 
51307 
51308  )
51309  e_4_2_2 = zetb*( c1*e_3_2_1 &
51310 
51311 
51312  )
51313  e_0_4_1 = zeta*( &
51314  +c2*e_0_3_1&
51315  +2*e_1_3_1 &
51316  -6*e_0_2_1)
51317  e_0_3_2 = zetb*( &
51318  +c3*e_0_3_1&
51319  +2*e_1_3_1 &
51320  -2*e_0_3_0)
51321  e_1_4_1 = zeta*( c1*e_0_3_1 &
51322  +c2*e_1_3_1&
51323  +4*e_2_3_1 &
51324  -6*e_1_2_1)
51325  e_1_3_2 = zetb*( c1*e_0_3_1 &
51326  +c3*e_1_3_1&
51327  +4*e_2_3_1 &
51328  -2*e_1_3_0)
51329  e_2_4_1 = zeta*( c1*e_1_3_1 &
51330  +c2*e_2_3_1&
51331  +6*e_3_3_1 &
51332  -6*e_2_2_1)
51333  e_2_3_2 = zetb*( c1*e_1_3_1 &
51334  +c3*e_2_3_1&
51335  +6*e_3_3_1 &
51336  -2*e_2_3_0)
51337  e_3_4_1 = zeta*( c1*e_2_3_1 &
51338  +c2*e_3_3_1&
51339  +8*e_4_3_1 &
51340  -6*e_3_2_1)
51341  e_3_3_2 = zetb*( c1*e_2_3_1 &
51342  +c3*e_3_3_1&
51343  +8*e_4_3_1 &
51344  -2*e_3_3_0)
51345  e_4_4_1 = zeta*( c1*e_3_3_1 &
51346  +c2*e_4_3_1&
51347 
51348  )
51349  e_4_3_2 = zetb*( c1*e_3_3_1 &
51350  +c3*e_4_3_1&
51351 
51352  )
51353  e_5_4_1 = zeta*( c1*e_4_3_1 &
51354 
51355 
51356  )
51357  e_5_3_2 = zetb*( c1*e_4_3_1 &
51358 
51359 
51360  )
51361  e_0_4_2 = zetb*( &
51362  +c3*e_0_4_1&
51363  +2*e_1_4_1 &
51364  -2*e_0_4_0)
51365  e_1_4_2 = zetb*( c1*e_0_4_1 &
51366  +c3*e_1_4_1&
51367  +4*e_2_4_1 &
51368  -2*e_1_4_0)
51369  e_2_4_2 = zetb*( c1*e_1_4_1 &
51370  +c3*e_2_4_1&
51371  +6*e_3_4_1 &
51372  -2*e_2_4_0)
51373  e_3_4_2 = zetb*( c1*e_2_4_1 &
51374  +c3*e_3_4_1&
51375  +8*e_4_4_1 &
51376  -2*e_3_4_0)
51377  e_4_4_2 = zetb*( c1*e_3_4_1 &
51378  +c3*e_4_4_1&
51379  +10*e_5_4_1 &
51380  -2*e_4_4_0)
51381  e_5_4_2 = zetb*( c1*e_4_4_1 &
51382  +c3*e_5_4_1&
51383 
51384  )
51385  e_6_4_2 = zetb*( c1*e_5_4_1 &
51386 
51387 
51388  )
51389  e_0_1_2 = zeta*( &
51390  +c2*e_0_0_2&
51391  +2*e_1_0_2 &
51392  )
51393  e_0_0_3 = zetb*( &
51394  +c3*e_0_0_2&
51395  +2*e_1_0_2 &
51396  -4*e_0_0_1)
51397  e_1_1_2 = zeta*( c1*e_0_0_2 &
51398  +c2*e_1_0_2&
51399  +4*e_2_0_2 &
51400  )
51401  e_1_0_3 = zetb*( c1*e_0_0_2 &
51402  +c3*e_1_0_2&
51403  +4*e_2_0_2 &
51404  -4*e_1_0_1)
51405  e_2_1_2 = zeta*( c1*e_1_0_2 &
51406  +c2*e_2_0_2&
51407 
51408  )
51409  e_2_0_3 = zetb*( c1*e_1_0_2 &
51410  +c3*e_2_0_2&
51411 
51412  )
51413  e_3_1_2 = zeta*( c1*e_2_0_2 &
51414 
51415 
51416  )
51417  e_3_0_3 = zetb*( c1*e_2_0_2 &
51418 
51419 
51420  )
51421  e_0_2_2 = zeta*( &
51422  +c2*e_0_1_2&
51423  +2*e_1_1_2 &
51424  -2*e_0_0_2)
51425  e_0_1_3 = zetb*( &
51426  +c3*e_0_1_2&
51427  +2*e_1_1_2 &
51428  -4*e_0_1_1)
51429  e_1_2_2 = zeta*( c1*e_0_1_2 &
51430  +c2*e_1_1_2&
51431  +4*e_2_1_2 &
51432  -2*e_1_0_2)
51433  e_1_1_3 = zetb*( c1*e_0_1_2 &
51434  +c3*e_1_1_2&
51435  +4*e_2_1_2 &
51436  -4*e_1_1_1)
51437  e_2_2_2 = zeta*( c1*e_1_1_2 &
51438  +c2*e_2_1_2&
51439  +6*e_3_1_2 &
51440  -2*e_2_0_2)
51441  e_2_1_3 = zetb*( c1*e_1_1_2 &
51442  +c3*e_2_1_2&
51443  +6*e_3_1_2 &
51444  -4*e_2_1_1)
51445  e_3_2_2 = zeta*( c1*e_2_1_2 &
51446  +c2*e_3_1_2&
51447 
51448  )
51449  e_3_1_3 = zetb*( c1*e_2_1_2 &
51450  +c3*e_3_1_2&
51451 
51452  )
51453  e_4_2_2 = zeta*( c1*e_3_1_2 &
51454 
51455 
51456  )
51457  e_4_1_3 = zetb*( c1*e_3_1_2 &
51458 
51459 
51460  )
51461  e_0_3_2 = zeta*( &
51462  +c2*e_0_2_2&
51463  +2*e_1_2_2 &
51464  -4*e_0_1_2)
51465  e_0_2_3 = zetb*( &
51466  +c3*e_0_2_2&
51467  +2*e_1_2_2 &
51468  -4*e_0_2_1)
51469  e_1_3_2 = zeta*( c1*e_0_2_2 &
51470  +c2*e_1_2_2&
51471  +4*e_2_2_2 &
51472  -4*e_1_1_2)
51473  e_1_2_3 = zetb*( c1*e_0_2_2 &
51474  +c3*e_1_2_2&
51475  +4*e_2_2_2 &
51476  -4*e_1_2_1)
51477  e_2_3_2 = zeta*( c1*e_1_2_2 &
51478  +c2*e_2_2_2&
51479  +6*e_3_2_2 &
51480  -4*e_2_1_2)
51481  e_2_2_3 = zetb*( c1*e_1_2_2 &
51482  +c3*e_2_2_2&
51483  +6*e_3_2_2 &
51484  -4*e_2_2_1)
51485  e_3_3_2 = zeta*( c1*e_2_2_2 &
51486  +c2*e_3_2_2&
51487  +8*e_4_2_2 &
51488  -4*e_3_1_2)
51489  e_3_2_3 = zetb*( c1*e_2_2_2 &
51490  +c3*e_3_2_2&
51491  +8*e_4_2_2 &
51492  -4*e_3_2_1)
51493  e_4_3_2 = zeta*( c1*e_3_2_2 &
51494  +c2*e_4_2_2&
51495 
51496  )
51497  e_4_2_3 = zetb*( c1*e_3_2_2 &
51498  +c3*e_4_2_2&
51499 
51500  )
51501  e_5_3_2 = zeta*( c1*e_4_2_2 &
51502 
51503 
51504  )
51505  e_5_2_3 = zetb*( c1*e_4_2_2 &
51506 
51507 
51508  )
51509  e_0_4_2 = zeta*( &
51510  +c2*e_0_3_2&
51511  +2*e_1_3_2 &
51512  -6*e_0_2_2)
51513  e_0_3_3 = zetb*( &
51514  +c3*e_0_3_2&
51515  +2*e_1_3_2 &
51516  -4*e_0_3_1)
51517  e_1_4_2 = zeta*( c1*e_0_3_2 &
51518  +c2*e_1_3_2&
51519  +4*e_2_3_2 &
51520  -6*e_1_2_2)
51521  e_1_3_3 = zetb*( c1*e_0_3_2 &
51522  +c3*e_1_3_2&
51523  +4*e_2_3_2 &
51524  -4*e_1_3_1)
51525  e_2_4_2 = zeta*( c1*e_1_3_2 &
51526  +c2*e_2_3_2&
51527  +6*e_3_3_2 &
51528  -6*e_2_2_2)
51529  e_2_3_3 = zetb*( c1*e_1_3_2 &
51530  +c3*e_2_3_2&
51531  +6*e_3_3_2 &
51532  -4*e_2_3_1)
51533  e_3_4_2 = zeta*( c1*e_2_3_2 &
51534  +c2*e_3_3_2&
51535  +8*e_4_3_2 &
51536  -6*e_3_2_2)
51537  e_3_3_3 = zetb*( c1*e_2_3_2 &
51538  +c3*e_3_3_2&
51539  +8*e_4_3_2 &
51540  -4*e_3_3_1)
51541  e_4_4_2 = zeta*( c1*e_3_3_2 &
51542  +c2*e_4_3_2&
51543  +10*e_5_3_2 &
51544  -6*e_4_2_2)
51545  e_4_3_3 = zetb*( c1*e_3_3_2 &
51546  +c3*e_4_3_2&
51547  +10*e_5_3_2 &
51548  -4*e_4_3_1)
51549  e_5_4_2 = zeta*( c1*e_4_3_2 &
51550  +c2*e_5_3_2&
51551 
51552  )
51553  e_5_3_3 = zetb*( c1*e_4_3_2 &
51554  +c3*e_5_3_2&
51555 
51556  )
51557  e_6_4_2 = zeta*( c1*e_5_3_2 &
51558 
51559 
51560  )
51561  e_6_3_3 = zetb*( c1*e_5_3_2 &
51562 
51563 
51564  )
51565  e_0_4_3 = zetb*( &
51566  +c3*e_0_4_2&
51567  +2*e_1_4_2 &
51568  -4*e_0_4_1)
51569  e_1_4_3 = zetb*( c1*e_0_4_2 &
51570  +c3*e_1_4_2&
51571  +4*e_2_4_2 &
51572  -4*e_1_4_1)
51573  e_2_4_3 = zetb*( c1*e_1_4_2 &
51574  +c3*e_2_4_2&
51575  +6*e_3_4_2 &
51576  -4*e_2_4_1)
51577  e_3_4_3 = zetb*( c1*e_2_4_2 &
51578  +c3*e_3_4_2&
51579  +8*e_4_4_2 &
51580  -4*e_3_4_1)
51581  e_4_4_3 = zetb*( c1*e_3_4_2 &
51582  +c3*e_4_4_2&
51583  +10*e_5_4_2 &
51584  -4*e_4_4_1)
51585  e_5_4_3 = zetb*( c1*e_4_4_2 &
51586  +c3*e_5_4_2&
51587  +12*e_6_4_2 &
51588  -4*e_5_4_1)
51589  e_6_4_3 = zetb*( c1*e_5_4_2 &
51590  +c3*e_6_4_2&
51591 
51592  )
51593  e_7_4_3 = zetb*( c1*e_6_4_2 &
51594 
51595 
51596  )
51597  e_0_1_3 = zeta*( &
51598  +c2*e_0_0_3&
51599  +2*e_1_0_3 &
51600  )
51601  e_1_1_3 = zeta*( c1*e_0_0_3 &
51602  +c2*e_1_0_3&
51603  +4*e_2_0_3 &
51604  )
51605  e_2_1_3 = zeta*( c1*e_1_0_3 &
51606  +c2*e_2_0_3&
51607  +6*e_3_0_3 &
51608  )
51609  e_3_1_3 = zeta*( c1*e_2_0_3 &
51610  +c2*e_3_0_3&
51611 
51612  )
51613  e_4_1_3 = zeta*( c1*e_3_0_3 &
51614 
51615 
51616  )
51617  e_0_2_3 = zeta*( &
51618  +c2*e_0_1_3&
51619  +2*e_1_1_3 &
51620  -2*e_0_0_3)
51621  e_1_2_3 = zeta*( c1*e_0_1_3 &
51622  +c2*e_1_1_3&
51623  +4*e_2_1_3 &
51624  -2*e_1_0_3)
51625  e_2_2_3 = zeta*( c1*e_1_1_3 &
51626  +c2*e_2_1_3&
51627  +6*e_3_1_3 &
51628  -2*e_2_0_3)
51629  e_3_2_3 = zeta*( c1*e_2_1_3 &
51630  +c2*e_3_1_3&
51631  +8*e_4_1_3 &
51632  -2*e_3_0_3)
51633  e_4_2_3 = zeta*( c1*e_3_1_3 &
51634  +c2*e_4_1_3&
51635 
51636  )
51637  e_5_2_3 = zeta*( c1*e_4_1_3 &
51638 
51639 
51640  )
51641  e_0_3_3 = zeta*( &
51642  +c2*e_0_2_3&
51643  +2*e_1_2_3 &
51644  -4*e_0_1_3)
51645  e_1_3_3 = zeta*( c1*e_0_2_3 &
51646  +c2*e_1_2_3&
51647  +4*e_2_2_3 &
51648  -4*e_1_1_3)
51649  e_2_3_3 = zeta*( c1*e_1_2_3 &
51650  +c2*e_2_2_3&
51651  +6*e_3_2_3 &
51652  -4*e_2_1_3)
51653  e_3_3_3 = zeta*( c1*e_2_2_3 &
51654  +c2*e_3_2_3&
51655  +8*e_4_2_3 &
51656  -4*e_3_1_3)
51657  e_4_3_3 = zeta*( c1*e_3_2_3 &
51658  +c2*e_4_2_3&
51659  +10*e_5_2_3 &
51660  -4*e_4_1_3)
51661  e_5_3_3 = zeta*( c1*e_4_2_3 &
51662  +c2*e_5_2_3&
51663 
51664  )
51665  e_6_3_3 = zeta*( c1*e_5_2_3 &
51666 
51667 
51668  )
51669  e_0_4_3 = zeta*( &
51670  +c2*e_0_3_3&
51671  +2*e_1_3_3 &
51672  -6*e_0_2_3)
51673  e_1_4_3 = zeta*( c1*e_0_3_3 &
51674  +c2*e_1_3_3&
51675  +4*e_2_3_3 &
51676  -6*e_1_2_3)
51677  e_2_4_3 = zeta*( c1*e_1_3_3 &
51678  +c2*e_2_3_3&
51679  +6*e_3_3_3 &
51680  -6*e_2_2_3)
51681  e_3_4_3 = zeta*( c1*e_2_3_3 &
51682  +c2*e_3_3_3&
51683  +8*e_4_3_3 &
51684  -6*e_3_2_3)
51685  e_4_4_3 = zeta*( c1*e_3_3_3 &
51686  +c2*e_4_3_3&
51687  +10*e_5_3_3 &
51688  -6*e_4_2_3)
51689  e_5_4_3 = zeta*( c1*e_4_3_3 &
51690  +c2*e_5_3_3&
51691  +12*e_6_3_3 &
51692  -6*e_5_2_3)
51693  e_6_4_3 = zeta*( c1*e_5_3_3 &
51694  +c2*e_6_3_3&
51695 
51696  )
51697  e_7_4_3 = zeta*( c1*e_6_3_3 &
51698 
51699 
51700  )
51701 
51702  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
51703  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
51704  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
51705  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
51706  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
51707  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
51708  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
51709  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
51710  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
51711  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
51712  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
51713  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
51714  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
51715  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
51716  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
51717  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
51718  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
51719  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
51720  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
51721  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
51722  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
51723  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
51724  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
51725  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
51726  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
51727  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
51728  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
51729  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
51730  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
51731  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
51732  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
51733  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
51734  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
51735  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
51736  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
51737  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
51738  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
51739  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
51740  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
51741  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
51742  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
51743  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
51744  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
51745  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
51746  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
51747  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
51748  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
51749  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
51750  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
51751  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
51752  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
51753  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
51754  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
51755  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
51756  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
51757  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
51758  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
51759  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
51760  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
51761  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
51762  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
51763  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
51764  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
51765  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
51766  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
51767  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
51768  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
51769  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
51770  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
51771  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
51772  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
51773  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
51774  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
51775  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
51776  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
51777  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
51778  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
51779  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
51780  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
51781  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
51782  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
51783  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
51784  s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
51785  s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
51786  s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
51787  s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
51788  s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
51789  s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
51790  s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
51791  s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
51792  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
51793  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
51794  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
51795  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
51796  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
51797  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
51798  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
51799  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
51800  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
51801  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
51802  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
51803  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
51804  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
51805  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
51806  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
51807  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
51808  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
51809  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
51810  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
51811  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
51812  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
51813  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
51814  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
51815  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
51816  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
51817  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
51818  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
51819  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
51820  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
51821  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
51822  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
51823  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
51824  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
51825  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
51826  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
51827  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
51828  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
51829  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
51830  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
51831  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
51832  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
51833  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
51834  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
51835  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
51836  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
51837  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
51838  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
51839  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
51840  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
51841  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
51842  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
51843  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
51844  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
51845  s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
51846  s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
51847  s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
51848  s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
51849  s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
51850  s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
51851  s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
51852  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
51853  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
51854  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
51855  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
51856  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
51857  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
51858  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
51859  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
51860  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
51861  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
51862  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
51863  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
51864  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
51865  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
51866  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
51867  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
51868  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
51869  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
51870  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
51871  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
51872  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
51873  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
51874  s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
51875  s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
51876  s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
51877  s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
51878  s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
51879  s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
51880  s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
51881  s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
51882  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
51883  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
51884  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
51885  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
51886  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
51887  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
51888  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
51889  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
51890  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
51891  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
51892  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
51893  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
51894  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
51895  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
51896  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
51897  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
51898  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
51899  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
51900  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
51901  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
51902  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
51903  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
51904  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
51905  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
51906  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
51907  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
51908  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
51909  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
51910  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
51911  s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
51912  s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
51913  s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
51914  s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
51915  s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
51916  s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
51917  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
51918  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
51919  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
51920  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
51921  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
51922  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
51923  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
51924  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
51925  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
51926  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
51927  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
51928  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
51929  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
51930  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
51931  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
51932  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
51933  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
51934  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
51935  s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
51936  s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
51937  s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
51938  s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
51939  s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
51940  s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
51941  s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
51942  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
51943  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
51944  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
51945  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
51946  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
51947  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
51948  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
51949  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
51950  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
51951  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
51952  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
51953  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
51954  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
51955  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
51956  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
51957  s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
51958  s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
51959  s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
51960  s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
51961  s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
51962  s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
51963  s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
51964  s_r(4, 3, 2) = s_r(4, 3, 2) + e_0_4_3*(1)*s_r_t2_2 ! cost: 5 flops
51965  s_r(4, 3, 2) = s_r(4, 3, 2) + e_1_4_3*(1)*s_r_t2_3 ! cost: 5 flops
51966  s_r(4, 3, 2) = s_r(4, 3, 2) + e_2_4_3*(1)*s_r_t2_4 ! cost: 5 flops
51967  s_r(4, 3, 2) = s_r(4, 3, 2) + e_3_4_3*(1)*s_r_t2_5 ! cost: 5 flops
51968  s_r(4, 3, 2) = s_r(4, 3, 2) + e_4_4_3*(1)*s_r_t2_6 ! cost: 5 flops
51969  s_r(4, 3, 2) = s_r(4, 3, 2) + e_5_4_3*(1)*s_r_t2_7 ! cost: 5 flops
51970  s_r(4, 3, 2) = s_r(4, 3, 2) + e_6_4_3*(1)*s_r_t2_8 ! cost: 5 flops
51971  s_r(4, 3, 2) = s_r(4, 3, 2) + e_7_4_3*(1)*s_r_t2_9 ! cost: 5 flops
51972  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
51973  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
51974  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
51975  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
51976  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
51977  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
51978  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
51979  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
51980  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
51981  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
51982  s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
51983  s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
51984  s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
51985  s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
51986  s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
51987  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
51988  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
51989  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
51990  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
51991  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
51992  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
51993  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
51994  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
51995  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
51996  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
51997  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
51998  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
51999  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
52000  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
52001  s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
52002  s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
52003  s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
52004  s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
52005  s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
52006  s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
52007  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
52008  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
52009  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
52010  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
52011  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
52012  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
52013  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
52014  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
52015  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
52016  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
52017  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
52018  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
52019  s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
52020  s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
52021  s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
52022  s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
52023  s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
52024  s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
52025  s_r(4, 2, 3) = s_r(4, 2, 3) + e_0_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
52026  s_r(4, 2, 3) = s_r(4, 2, 3) + e_1_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
52027  s_r(4, 2, 3) = s_r(4, 2, 3) + e_2_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
52028  s_r(4, 2, 3) = s_r(4, 2, 3) + e_3_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
52029  s_r(4, 2, 3) = s_r(4, 2, 3) + e_4_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
52030  s_r(4, 2, 3) = s_r(4, 2, 3) + e_5_4_2*(-1)*s_r_t2_8 ! cost: 5 flops
52031  s_r(4, 2, 3) = s_r(4, 2, 3) + e_6_4_2*(-1)*s_r_t2_9 ! cost: 5 flops
52032  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
52033  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
52034  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
52035  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
52036  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
52037  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
52038  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
52039  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
52040  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
52041  s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
52042  s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
52043  s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
52044  s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
52045  s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
52046  s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
52047  s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
52048  s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
52049  s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
52050  s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
52051  s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
52052  s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
52053  s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
52054  s_r(4, 3, 3) = s_r(4, 3, 3) + e_0_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
52055  s_r(4, 3, 3) = s_r(4, 3, 3) + e_1_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
52056  s_r(4, 3, 3) = s_r(4, 3, 3) + e_2_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
52057  s_r(4, 3, 3) = s_r(4, 3, 3) + e_3_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
52058  s_r(4, 3, 3) = s_r(4, 3, 3) + e_4_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
52059  s_r(4, 3, 3) = s_r(4, 3, 3) + e_5_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
52060  s_r(4, 3, 3) = s_r(4, 3, 3) + e_6_4_3*(-1)*s_r_t2_9 ! cost: 5 flops
52061  s_r(4, 3, 3) = s_r(4, 3, 3) + e_7_4_3*(-1)*s_r_t2_10 ! cost: 5 flops
52062  r1 = r1 + dr
52063  END DO
52064 
52065  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
52066  END SUBROUTINE
52067  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_3_4_exp_0 ( &
52068  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
52069  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
52070  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
52071  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
52072  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
52073  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
52074  r_pow_t, r_tmp, rr1_delta, rr2_delta
52075 
52076  REAL(kind=dp) :: c1, c2, c3
52077  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
52078  & s_r_t_10, s_r_t_11
52079  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
52080  & s_r_t2_9, s_r_t2_10, s_r_t2_11
52081  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
52082  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
52083  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
52084  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
52085  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
52086  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
52087  & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10, h_to_c_0_11,&
52088  & h_to_c_1_11, h_to_c_2_11, h_to_c_3_11, h_to_c_4_11, h_to_c_5_11, h_to_c_6_11, h_to_c_7_11, h_to_c_8_11, h_to_c_9_11,&
52089  & h_to_c_10_11, h_to_c_11_11
52090  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
52091  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
52092  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
52093  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
52094  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
52095  & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
52096  & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3
52097 
52098 
52099  dr = lgth
52100  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
52101 
52102  s_r(:, :, :) = 0.0_dp
52103 
52104  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
52105 
52106  h_to_c_0_0 = sqrt(alpha/pi)
52107 
52108  h_to_c_0_1 = 0.0_dp
52109  h_to_c_1_1 = +2*alpha*h_to_c_0_0
52110  h_to_c_0_2 = -1*h_to_c_1_1
52111  h_to_c_1_2 = +2*alpha*h_to_c_0_1
52112  h_to_c_2_2 = +2*alpha*h_to_c_1_1
52113  h_to_c_0_3 = -1*h_to_c_1_2
52114  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
52115  h_to_c_2_3 = +2*alpha*h_to_c_1_2
52116  h_to_c_3_3 = +2*alpha*h_to_c_2_2
52117  h_to_c_0_4 = -1*h_to_c_1_3
52118  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
52119  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
52120  h_to_c_3_4 = +2*alpha*h_to_c_2_3
52121  h_to_c_4_4 = +2*alpha*h_to_c_3_3
52122  h_to_c_0_5 = -1*h_to_c_1_4
52123  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
52124  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
52125  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
52126  h_to_c_4_5 = +2*alpha*h_to_c_3_4
52127  h_to_c_5_5 = +2*alpha*h_to_c_4_4
52128  h_to_c_0_6 = -1*h_to_c_1_5
52129  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
52130  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
52131  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
52132  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
52133  h_to_c_5_6 = +2*alpha*h_to_c_4_5
52134  h_to_c_6_6 = +2*alpha*h_to_c_5_5
52135  h_to_c_0_7 = -1*h_to_c_1_6
52136  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
52137  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
52138  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
52139  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
52140  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
52141  h_to_c_6_7 = +2*alpha*h_to_c_5_6
52142  h_to_c_7_7 = +2*alpha*h_to_c_6_6
52143  h_to_c_0_8 = -1*h_to_c_1_7
52144  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
52145  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
52146  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
52147  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
52148  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
52149  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
52150  h_to_c_7_8 = +2*alpha*h_to_c_6_7
52151  h_to_c_8_8 = +2*alpha*h_to_c_7_7
52152  h_to_c_0_9 = -1*h_to_c_1_8
52153  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
52154  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
52155  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
52156  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
52157  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
52158  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
52159  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
52160  h_to_c_8_9 = +2*alpha*h_to_c_7_8
52161  h_to_c_9_9 = +2*alpha*h_to_c_8_8
52162  h_to_c_0_10 = -1*h_to_c_1_9
52163  h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
52164  h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
52165  h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
52166  h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
52167  h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
52168  h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
52169  h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
52170  h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
52171  h_to_c_9_10 = +2*alpha*h_to_c_8_9
52172  h_to_c_10_10 = +2*alpha*h_to_c_9_9
52173  h_to_c_0_11 = -1*h_to_c_1_10
52174  h_to_c_1_11 = -2*h_to_c_2_10 +2*alpha*h_to_c_0_10
52175  h_to_c_2_11 = -3*h_to_c_3_10 +2*alpha*h_to_c_1_10
52176  h_to_c_3_11 = -4*h_to_c_4_10 +2*alpha*h_to_c_2_10
52177  h_to_c_4_11 = -5*h_to_c_5_10 +2*alpha*h_to_c_3_10
52178  h_to_c_5_11 = -6*h_to_c_6_10 +2*alpha*h_to_c_4_10
52179  h_to_c_6_11 = -7*h_to_c_7_10 +2*alpha*h_to_c_5_10
52180  h_to_c_7_11 = -8*h_to_c_8_10 +2*alpha*h_to_c_6_10
52181  h_to_c_8_11 = -9*h_to_c_9_10 +2*alpha*h_to_c_7_10
52182  h_to_c_9_11 = -10*h_to_c_10_10 +2*alpha*h_to_c_8_10
52183  h_to_c_10_11 = +2*alpha*h_to_c_9_10
52184  h_to_c_11_11 = +2*alpha*h_to_c_10_10
52185 
52186 
52187  rr1_delta = (ra - rb)/dr
52188 
52189  rr1_l = ceiling(-r_c(1) + rr1_delta)
52190  rr1_r = floor(r_c(1) + rr1_delta)
52191 
52192  r1 = rr1_l*dr
52193 
52194  alpha_e = zeta*zetb/(zeta + zetb)
52195 
52196  DO rr1 = rr1_l, rr1_r
52197  s_r_t_0 = 0.0_dp
52198  s_r_t2_0 = 0.0_dp
52199  s_r_t_1 = 0.0_dp
52200  s_r_t2_1 = 0.0_dp
52201  s_r_t_2 = 0.0_dp
52202  s_r_t2_2 = 0.0_dp
52203  s_r_t_3 = 0.0_dp
52204  s_r_t2_3 = 0.0_dp
52205  s_r_t_4 = 0.0_dp
52206  s_r_t2_4 = 0.0_dp
52207  s_r_t_5 = 0.0_dp
52208  s_r_t2_5 = 0.0_dp
52209  s_r_t_6 = 0.0_dp
52210  s_r_t2_6 = 0.0_dp
52211  s_r_t_7 = 0.0_dp
52212  s_r_t2_7 = 0.0_dp
52213  s_r_t_8 = 0.0_dp
52214  s_r_t2_8 = 0.0_dp
52215  s_r_t_9 = 0.0_dp
52216  s_r_t2_9 = 0.0_dp
52217  s_r_t_10 = 0.0_dp
52218  s_r_t2_10 = 0.0_dp
52219  s_r_t_11 = 0.0_dp
52220  s_r_t2_11 = 0.0_dp
52221  r_tmp = r_offset + r1*zeta/(zeta + zetb)
52222  rr2_delta = -r_tmp/dr
52223 
52224  rr2_l = ceiling(-r_c(2) + rr2_delta)
52225  rr2_r = floor(r_c(2) + rr2_delta)
52226 
52227  r = r_tmp + (rr2_l)*dr
52228 
52229 
52230  DO rr2 = rr2_l, rr2_r
52231  r_pow_t = 1.0_dp
52232  exp2_rsq = exp(-alpha*r*r)
52233  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
52234  r_pow_t = r_pow_t*r
52235  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
52236  r_pow_t = r_pow_t*r
52237  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
52238  r_pow_t = r_pow_t*r
52239  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
52240  r_pow_t = r_pow_t*r
52241  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
52242  r_pow_t = r_pow_t*r
52243  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
52244  r_pow_t = r_pow_t*r
52245  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
52246  r_pow_t = r_pow_t*r
52247  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
52248  r_pow_t = r_pow_t*r
52249  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
52250  r_pow_t = r_pow_t*r
52251  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
52252  r_pow_t = r_pow_t*r
52253  s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
52254  r_pow_t = r_pow_t*r
52255  s_r_t_11 = s_r_t_11+r_pow_t*exp2_rsq
52256 
52257  r = r + dr
52258  END DO
52259 
52260  ! C --> H
52261  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
52262  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
52263  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
52264  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
52265  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
52266  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
52267  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
52268  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
52269  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
52270  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
52271  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
52272  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
52273  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
52274  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
52275  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
52276  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
52277  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
52278  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
52279  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
52280  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
52281  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
52282  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
52283  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
52284  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
52285  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
52286  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
52287  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
52288  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
52289  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
52290  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
52291  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
52292  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
52293  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
52294  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
52295  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
52296  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
52297  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
52298  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
52299  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
52300  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
52301  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
52302  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
52303  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
52304  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
52305  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
52306  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
52307  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
52308  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
52309  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
52310  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
52311  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
52312  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
52313  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
52314  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
52315  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
52316  s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
52317  s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
52318  s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
52319  s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
52320  s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
52321  s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
52322  s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
52323  s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
52324  s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
52325  s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
52326  s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
52327  s_r_t2_11 = s_r_t2_11+h_to_c_0_11*s_r_t_0
52328  s_r_t2_11 = s_r_t2_11+h_to_c_1_11*s_r_t_1
52329  s_r_t2_11 = s_r_t2_11+h_to_c_2_11*s_r_t_2
52330  s_r_t2_11 = s_r_t2_11+h_to_c_3_11*s_r_t_3
52331  s_r_t2_11 = s_r_t2_11+h_to_c_4_11*s_r_t_4
52332  s_r_t2_11 = s_r_t2_11+h_to_c_5_11*s_r_t_5
52333  s_r_t2_11 = s_r_t2_11+h_to_c_6_11*s_r_t_6
52334  s_r_t2_11 = s_r_t2_11+h_to_c_7_11*s_r_t_7
52335  s_r_t2_11 = s_r_t2_11+h_to_c_8_11*s_r_t_8
52336  s_r_t2_11 = s_r_t2_11+h_to_c_9_11*s_r_t_9
52337  s_r_t2_11 = s_r_t2_11+h_to_c_10_11*s_r_t_10
52338  s_r_t2_11 = s_r_t2_11+h_to_c_11_11*s_r_t_11
52339 
52340  ! H --> HH
52341  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
52342 
52343  c1 = 1.0_dp/(zeta + zetb)
52344  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
52345  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
52346 
52347  e_0_1_0 = zeta*( &
52348  +c2*e_0_0_0&
52349 
52350  )
52351  e_0_0_1 = zetb*( &
52352  +c3*e_0_0_0&
52353 
52354  )
52355  e_1_1_0 = zeta*( c1*e_0_0_0 &
52356 
52357 
52358  )
52359  e_1_0_1 = zetb*( c1*e_0_0_0 &
52360 
52361 
52362  )
52363  e_0_2_0 = zeta*( &
52364  +c2*e_0_1_0&
52365  +2*e_1_1_0 &
52366  -2*e_0_0_0)
52367  e_0_1_1 = zetb*( &
52368  +c3*e_0_1_0&
52369  +2*e_1_1_0 &
52370  )
52371  e_1_2_0 = zeta*( c1*e_0_1_0 &
52372  +c2*e_1_1_0&
52373 
52374  )
52375  e_1_1_1 = zetb*( c1*e_0_1_0 &
52376  +c3*e_1_1_0&
52377 
52378  )
52379  e_2_2_0 = zeta*( c1*e_1_1_0 &
52380 
52381 
52382  )
52383  e_2_1_1 = zetb*( c1*e_1_1_0 &
52384 
52385 
52386  )
52387  e_0_3_0 = zeta*( &
52388  +c2*e_0_2_0&
52389  +2*e_1_2_0 &
52390  -4*e_0_1_0)
52391  e_0_2_1 = zetb*( &
52392  +c3*e_0_2_0&
52393  +2*e_1_2_0 &
52394  )
52395  e_1_3_0 = zeta*( c1*e_0_2_0 &
52396  +c2*e_1_2_0&
52397  +4*e_2_2_0 &
52398  -4*e_1_1_0)
52399  e_1_2_1 = zetb*( c1*e_0_2_0 &
52400  +c3*e_1_2_0&
52401  +4*e_2_2_0 &
52402  )
52403  e_2_3_0 = zeta*( c1*e_1_2_0 &
52404  +c2*e_2_2_0&
52405 
52406  )
52407  e_2_2_1 = zetb*( c1*e_1_2_0 &
52408  +c3*e_2_2_0&
52409 
52410  )
52411  e_3_3_0 = zeta*( c1*e_2_2_0 &
52412 
52413 
52414  )
52415  e_3_2_1 = zetb*( c1*e_2_2_0 &
52416 
52417 
52418  )
52419  e_0_4_0 = zeta*( &
52420  +c2*e_0_3_0&
52421  +2*e_1_3_0 &
52422  -6*e_0_2_0)
52423  e_0_3_1 = zetb*( &
52424  +c3*e_0_3_0&
52425  +2*e_1_3_0 &
52426  )
52427  e_1_4_0 = zeta*( c1*e_0_3_0 &
52428  +c2*e_1_3_0&
52429  +4*e_2_3_0 &
52430  -6*e_1_2_0)
52431  e_1_3_1 = zetb*( c1*e_0_3_0 &
52432  +c3*e_1_3_0&
52433  +4*e_2_3_0 &
52434  )
52435  e_2_4_0 = zeta*( c1*e_1_3_0 &
52436  +c2*e_2_3_0&
52437  +6*e_3_3_0 &
52438  -6*e_2_2_0)
52439  e_2_3_1 = zetb*( c1*e_1_3_0 &
52440  +c3*e_2_3_0&
52441  +6*e_3_3_0 &
52442  )
52443  e_3_4_0 = zeta*( c1*e_2_3_0 &
52444  +c2*e_3_3_0&
52445 
52446  )
52447  e_3_3_1 = zetb*( c1*e_2_3_0 &
52448  +c3*e_3_3_0&
52449 
52450  )
52451  e_4_4_0 = zeta*( c1*e_3_3_0 &
52452 
52453 
52454  )
52455  e_4_3_1 = zetb*( c1*e_3_3_0 &
52456 
52457 
52458  )
52459  e_0_4_1 = zetb*( &
52460  +c3*e_0_4_0&
52461  +2*e_1_4_0 &
52462  )
52463  e_1_4_1 = zetb*( c1*e_0_4_0 &
52464  +c3*e_1_4_0&
52465  +4*e_2_4_0 &
52466  )
52467  e_2_4_1 = zetb*( c1*e_1_4_0 &
52468  +c3*e_2_4_0&
52469  +6*e_3_4_0 &
52470  )
52471  e_3_4_1 = zetb*( c1*e_2_4_0 &
52472  +c3*e_3_4_0&
52473  +8*e_4_4_0 &
52474  )
52475  e_4_4_1 = zetb*( c1*e_3_4_0 &
52476  +c3*e_4_4_0&
52477 
52478  )
52479  e_5_4_1 = zetb*( c1*e_4_4_0 &
52480 
52481 
52482  )
52483  e_0_1_1 = zeta*( &
52484  +c2*e_0_0_1&
52485  +2*e_1_0_1 &
52486  )
52487  e_0_0_2 = zetb*( &
52488  +c3*e_0_0_1&
52489  +2*e_1_0_1 &
52490  -2*e_0_0_0)
52491  e_1_1_1 = zeta*( c1*e_0_0_1 &
52492  +c2*e_1_0_1&
52493 
52494  )
52495  e_1_0_2 = zetb*( c1*e_0_0_1 &
52496  +c3*e_1_0_1&
52497 
52498  )
52499  e_2_1_1 = zeta*( c1*e_1_0_1 &
52500 
52501 
52502  )
52503  e_2_0_2 = zetb*( c1*e_1_0_1 &
52504 
52505 
52506  )
52507  e_0_2_1 = zeta*( &
52508  +c2*e_0_1_1&
52509  +2*e_1_1_1 &
52510  -2*e_0_0_1)
52511  e_0_1_2 = zetb*( &
52512  +c3*e_0_1_1&
52513  +2*e_1_1_1 &
52514  -2*e_0_1_0)
52515  e_1_2_1 = zeta*( c1*e_0_1_1 &
52516  +c2*e_1_1_1&
52517  +4*e_2_1_1 &
52518  -2*e_1_0_1)
52519  e_1_1_2 = zetb*( c1*e_0_1_1 &
52520  +c3*e_1_1_1&
52521  +4*e_2_1_1 &
52522  -2*e_1_1_0)
52523  e_2_2_1 = zeta*( c1*e_1_1_1 &
52524  +c2*e_2_1_1&
52525 
52526  )
52527  e_2_1_2 = zetb*( c1*e_1_1_1 &
52528  +c3*e_2_1_1&
52529 
52530  )
52531  e_3_2_1 = zeta*( c1*e_2_1_1 &
52532 
52533 
52534  )
52535  e_3_1_2 = zetb*( c1*e_2_1_1 &
52536 
52537 
52538  )
52539  e_0_3_1 = zeta*( &
52540  +c2*e_0_2_1&
52541  +2*e_1_2_1 &
52542  -4*e_0_1_1)
52543  e_0_2_2 = zetb*( &
52544  +c3*e_0_2_1&
52545  +2*e_1_2_1 &
52546  -2*e_0_2_0)
52547  e_1_3_1 = zeta*( c1*e_0_2_1 &
52548  +c2*e_1_2_1&
52549  +4*e_2_2_1 &
52550  -4*e_1_1_1)
52551  e_1_2_2 = zetb*( c1*e_0_2_1 &
52552  +c3*e_1_2_1&
52553  +4*e_2_2_1 &
52554  -2*e_1_2_0)
52555  e_2_3_1 = zeta*( c1*e_1_2_1 &
52556  +c2*e_2_2_1&
52557  +6*e_3_2_1 &
52558  -4*e_2_1_1)
52559  e_2_2_2 = zetb*( c1*e_1_2_1 &
52560  +c3*e_2_2_1&
52561  +6*e_3_2_1 &
52562  -2*e_2_2_0)
52563  e_3_3_1 = zeta*( c1*e_2_2_1 &
52564  +c2*e_3_2_1&
52565 
52566  )
52567  e_3_2_2 = zetb*( c1*e_2_2_1 &
52568  +c3*e_3_2_1&
52569 
52570  )
52571  e_4_3_1 = zeta*( c1*e_3_2_1 &
52572 
52573 
52574  )
52575  e_4_2_2 = zetb*( c1*e_3_2_1 &
52576 
52577 
52578  )
52579  e_0_4_1 = zeta*( &
52580  +c2*e_0_3_1&
52581  +2*e_1_3_1 &
52582  -6*e_0_2_1)
52583  e_0_3_2 = zetb*( &
52584  +c3*e_0_3_1&
52585  +2*e_1_3_1 &
52586  -2*e_0_3_0)
52587  e_1_4_1 = zeta*( c1*e_0_3_1 &
52588  +c2*e_1_3_1&
52589  +4*e_2_3_1 &
52590  -6*e_1_2_1)
52591  e_1_3_2 = zetb*( c1*e_0_3_1 &
52592  +c3*e_1_3_1&
52593  +4*e_2_3_1 &
52594  -2*e_1_3_0)
52595  e_2_4_1 = zeta*( c1*e_1_3_1 &
52596  +c2*e_2_3_1&
52597  +6*e_3_3_1 &
52598  -6*e_2_2_1)
52599  e_2_3_2 = zetb*( c1*e_1_3_1 &
52600  +c3*e_2_3_1&
52601  +6*e_3_3_1 &
52602  -2*e_2_3_0)
52603  e_3_4_1 = zeta*( c1*e_2_3_1 &
52604  +c2*e_3_3_1&
52605  +8*e_4_3_1 &
52606  -6*e_3_2_1)
52607  e_3_3_2 = zetb*( c1*e_2_3_1 &
52608  +c3*e_3_3_1&
52609  +8*e_4_3_1 &
52610  -2*e_3_3_0)
52611  e_4_4_1 = zeta*( c1*e_3_3_1 &
52612  +c2*e_4_3_1&
52613 
52614  )
52615  e_4_3_2 = zetb*( c1*e_3_3_1 &
52616  +c3*e_4_3_1&
52617 
52618  )
52619  e_5_4_1 = zeta*( c1*e_4_3_1 &
52620 
52621 
52622  )
52623  e_5_3_2 = zetb*( c1*e_4_3_1 &
52624 
52625 
52626  )
52627  e_0_4_2 = zetb*( &
52628  +c3*e_0_4_1&
52629  +2*e_1_4_1 &
52630  -2*e_0_4_0)
52631  e_1_4_2 = zetb*( c1*e_0_4_1 &
52632  +c3*e_1_4_1&
52633  +4*e_2_4_1 &
52634  -2*e_1_4_0)
52635  e_2_4_2 = zetb*( c1*e_1_4_1 &
52636  +c3*e_2_4_1&
52637  +6*e_3_4_1 &
52638  -2*e_2_4_0)
52639  e_3_4_2 = zetb*( c1*e_2_4_1 &
52640  +c3*e_3_4_1&
52641  +8*e_4_4_1 &
52642  -2*e_3_4_0)
52643  e_4_4_2 = zetb*( c1*e_3_4_1 &
52644  +c3*e_4_4_1&
52645  +10*e_5_4_1 &
52646  -2*e_4_4_0)
52647  e_5_4_2 = zetb*( c1*e_4_4_1 &
52648  +c3*e_5_4_1&
52649 
52650  )
52651  e_6_4_2 = zetb*( c1*e_5_4_1 &
52652 
52653 
52654  )
52655  e_0_1_2 = zeta*( &
52656  +c2*e_0_0_2&
52657  +2*e_1_0_2 &
52658  )
52659  e_0_0_3 = zetb*( &
52660  +c3*e_0_0_2&
52661  +2*e_1_0_2 &
52662  -4*e_0_0_1)
52663  e_1_1_2 = zeta*( c1*e_0_0_2 &
52664  +c2*e_1_0_2&
52665  +4*e_2_0_2 &
52666  )
52667  e_1_0_3 = zetb*( c1*e_0_0_2 &
52668  +c3*e_1_0_2&
52669  +4*e_2_0_2 &
52670  -4*e_1_0_1)
52671  e_2_1_2 = zeta*( c1*e_1_0_2 &
52672  +c2*e_2_0_2&
52673 
52674  )
52675  e_2_0_3 = zetb*( c1*e_1_0_2 &
52676  +c3*e_2_0_2&
52677 
52678  )
52679  e_3_1_2 = zeta*( c1*e_2_0_2 &
52680 
52681 
52682  )
52683  e_3_0_3 = zetb*( c1*e_2_0_2 &
52684 
52685 
52686  )
52687  e_0_2_2 = zeta*( &
52688  +c2*e_0_1_2&
52689  +2*e_1_1_2 &
52690  -2*e_0_0_2)
52691  e_0_1_3 = zetb*( &
52692  +c3*e_0_1_2&
52693  +2*e_1_1_2 &
52694  -4*e_0_1_1)
52695  e_1_2_2 = zeta*( c1*e_0_1_2 &
52696  +c2*e_1_1_2&
52697  +4*e_2_1_2 &
52698  -2*e_1_0_2)
52699  e_1_1_3 = zetb*( c1*e_0_1_2 &
52700  +c3*e_1_1_2&
52701  +4*e_2_1_2 &
52702  -4*e_1_1_1)
52703  e_2_2_2 = zeta*( c1*e_1_1_2 &
52704  +c2*e_2_1_2&
52705  +6*e_3_1_2 &
52706  -2*e_2_0_2)
52707  e_2_1_3 = zetb*( c1*e_1_1_2 &
52708  +c3*e_2_1_2&
52709  +6*e_3_1_2 &
52710  -4*e_2_1_1)
52711  e_3_2_2 = zeta*( c1*e_2_1_2 &
52712  +c2*e_3_1_2&
52713 
52714  )
52715  e_3_1_3 = zetb*( c1*e_2_1_2 &
52716  +c3*e_3_1_2&
52717 
52718  )
52719  e_4_2_2 = zeta*( c1*e_3_1_2 &
52720 
52721 
52722  )
52723  e_4_1_3 = zetb*( c1*e_3_1_2 &
52724 
52725 
52726  )
52727  e_0_3_2 = zeta*( &
52728  +c2*e_0_2_2&
52729  +2*e_1_2_2 &
52730  -4*e_0_1_2)
52731  e_0_2_3 = zetb*( &
52732  +c3*e_0_2_2&
52733  +2*e_1_2_2 &
52734  -4*e_0_2_1)
52735  e_1_3_2 = zeta*( c1*e_0_2_2 &
52736  +c2*e_1_2_2&
52737  +4*e_2_2_2 &
52738  -4*e_1_1_2)
52739  e_1_2_3 = zetb*( c1*e_0_2_2 &
52740  +c3*e_1_2_2&
52741  +4*e_2_2_2 &
52742  -4*e_1_2_1)
52743  e_2_3_2 = zeta*( c1*e_1_2_2 &
52744  +c2*e_2_2_2&
52745  +6*e_3_2_2 &
52746  -4*e_2_1_2)
52747  e_2_2_3 = zetb*( c1*e_1_2_2 &
52748  +c3*e_2_2_2&
52749  +6*e_3_2_2 &
52750  -4*e_2_2_1)
52751  e_3_3_2 = zeta*( c1*e_2_2_2 &
52752  +c2*e_3_2_2&
52753  +8*e_4_2_2 &
52754  -4*e_3_1_2)
52755  e_3_2_3 = zetb*( c1*e_2_2_2 &
52756  +c3*e_3_2_2&
52757  +8*e_4_2_2 &
52758  -4*e_3_2_1)
52759  e_4_3_2 = zeta*( c1*e_3_2_2 &
52760  +c2*e_4_2_2&
52761 
52762  )
52763  e_4_2_3 = zetb*( c1*e_3_2_2 &
52764  +c3*e_4_2_2&
52765 
52766  )
52767  e_5_3_2 = zeta*( c1*e_4_2_2 &
52768 
52769 
52770  )
52771  e_5_2_3 = zetb*( c1*e_4_2_2 &
52772 
52773 
52774  )
52775  e_0_4_2 = zeta*( &
52776  +c2*e_0_3_2&
52777  +2*e_1_3_2 &
52778  -6*e_0_2_2)
52779  e_0_3_3 = zetb*( &
52780  +c3*e_0_3_2&
52781  +2*e_1_3_2 &
52782  -4*e_0_3_1)
52783  e_1_4_2 = zeta*( c1*e_0_3_2 &
52784  +c2*e_1_3_2&
52785  +4*e_2_3_2 &
52786  -6*e_1_2_2)
52787  e_1_3_3 = zetb*( c1*e_0_3_2 &
52788  +c3*e_1_3_2&
52789  +4*e_2_3_2 &
52790  -4*e_1_3_1)
52791  e_2_4_2 = zeta*( c1*e_1_3_2 &
52792  +c2*e_2_3_2&
52793  +6*e_3_3_2 &
52794  -6*e_2_2_2)
52795  e_2_3_3 = zetb*( c1*e_1_3_2 &
52796  +c3*e_2_3_2&
52797  +6*e_3_3_2 &
52798  -4*e_2_3_1)
52799  e_3_4_2 = zeta*( c1*e_2_3_2 &
52800  +c2*e_3_3_2&
52801  +8*e_4_3_2 &
52802  -6*e_3_2_2)
52803  e_3_3_3 = zetb*( c1*e_2_3_2 &
52804  +c3*e_3_3_2&
52805  +8*e_4_3_2 &
52806  -4*e_3_3_1)
52807  e_4_4_2 = zeta*( c1*e_3_3_2 &
52808  +c2*e_4_3_2&
52809  +10*e_5_3_2 &
52810  -6*e_4_2_2)
52811  e_4_3_3 = zetb*( c1*e_3_3_2 &
52812  +c3*e_4_3_2&
52813  +10*e_5_3_2 &
52814  -4*e_4_3_1)
52815  e_5_4_2 = zeta*( c1*e_4_3_2 &
52816  +c2*e_5_3_2&
52817 
52818  )
52819  e_5_3_3 = zetb*( c1*e_4_3_2 &
52820  +c3*e_5_3_2&
52821 
52822  )
52823  e_6_4_2 = zeta*( c1*e_5_3_2 &
52824 
52825 
52826  )
52827  e_6_3_3 = zetb*( c1*e_5_3_2 &
52828 
52829 
52830  )
52831  e_0_4_3 = zetb*( &
52832  +c3*e_0_4_2&
52833  +2*e_1_4_2 &
52834  -4*e_0_4_1)
52835  e_1_4_3 = zetb*( c1*e_0_4_2 &
52836  +c3*e_1_4_2&
52837  +4*e_2_4_2 &
52838  -4*e_1_4_1)
52839  e_2_4_3 = zetb*( c1*e_1_4_2 &
52840  +c3*e_2_4_2&
52841  +6*e_3_4_2 &
52842  -4*e_2_4_1)
52843  e_3_4_3 = zetb*( c1*e_2_4_2 &
52844  +c3*e_3_4_2&
52845  +8*e_4_4_2 &
52846  -4*e_3_4_1)
52847  e_4_4_3 = zetb*( c1*e_3_4_2 &
52848  +c3*e_4_4_2&
52849  +10*e_5_4_2 &
52850  -4*e_4_4_1)
52851  e_5_4_3 = zetb*( c1*e_4_4_2 &
52852  +c3*e_5_4_2&
52853  +12*e_6_4_2 &
52854  -4*e_5_4_1)
52855  e_6_4_3 = zetb*( c1*e_5_4_2 &
52856  +c3*e_6_4_2&
52857 
52858  )
52859  e_7_4_3 = zetb*( c1*e_6_4_2 &
52860 
52861 
52862  )
52863  e_0_1_3 = zeta*( &
52864  +c2*e_0_0_3&
52865  +2*e_1_0_3 &
52866  )
52867  e_1_1_3 = zeta*( c1*e_0_0_3 &
52868  +c2*e_1_0_3&
52869  +4*e_2_0_3 &
52870  )
52871  e_2_1_3 = zeta*( c1*e_1_0_3 &
52872  +c2*e_2_0_3&
52873  +6*e_3_0_3 &
52874  )
52875  e_3_1_3 = zeta*( c1*e_2_0_3 &
52876  +c2*e_3_0_3&
52877 
52878  )
52879  e_4_1_3 = zeta*( c1*e_3_0_3 &
52880 
52881 
52882  )
52883  e_0_2_3 = zeta*( &
52884  +c2*e_0_1_3&
52885  +2*e_1_1_3 &
52886  -2*e_0_0_3)
52887  e_1_2_3 = zeta*( c1*e_0_1_3 &
52888  +c2*e_1_1_3&
52889  +4*e_2_1_3 &
52890  -2*e_1_0_3)
52891  e_2_2_3 = zeta*( c1*e_1_1_3 &
52892  +c2*e_2_1_3&
52893  +6*e_3_1_3 &
52894  -2*e_2_0_3)
52895  e_3_2_3 = zeta*( c1*e_2_1_3 &
52896  +c2*e_3_1_3&
52897  +8*e_4_1_3 &
52898  -2*e_3_0_3)
52899  e_4_2_3 = zeta*( c1*e_3_1_3 &
52900  +c2*e_4_1_3&
52901 
52902  )
52903  e_5_2_3 = zeta*( c1*e_4_1_3 &
52904 
52905 
52906  )
52907  e_0_3_3 = zeta*( &
52908  +c2*e_0_2_3&
52909  +2*e_1_2_3 &
52910  -4*e_0_1_3)
52911  e_1_3_3 = zeta*( c1*e_0_2_3 &
52912  +c2*e_1_2_3&
52913  +4*e_2_2_3 &
52914  -4*e_1_1_3)
52915  e_2_3_3 = zeta*( c1*e_1_2_3 &
52916  +c2*e_2_2_3&
52917  +6*e_3_2_3 &
52918  -4*e_2_1_3)
52919  e_3_3_3 = zeta*( c1*e_2_2_3 &
52920  +c2*e_3_2_3&
52921  +8*e_4_2_3 &
52922  -4*e_3_1_3)
52923  e_4_3_3 = zeta*( c1*e_3_2_3 &
52924  +c2*e_4_2_3&
52925  +10*e_5_2_3 &
52926  -4*e_4_1_3)
52927  e_5_3_3 = zeta*( c1*e_4_2_3 &
52928  +c2*e_5_2_3&
52929 
52930  )
52931  e_6_3_3 = zeta*( c1*e_5_2_3 &
52932 
52933 
52934  )
52935  e_0_4_3 = zeta*( &
52936  +c2*e_0_3_3&
52937  +2*e_1_3_3 &
52938  -6*e_0_2_3)
52939  e_1_4_3 = zeta*( c1*e_0_3_3 &
52940  +c2*e_1_3_3&
52941  +4*e_2_3_3 &
52942  -6*e_1_2_3)
52943  e_2_4_3 = zeta*( c1*e_1_3_3 &
52944  +c2*e_2_3_3&
52945  +6*e_3_3_3 &
52946  -6*e_2_2_3)
52947  e_3_4_3 = zeta*( c1*e_2_3_3 &
52948  +c2*e_3_3_3&
52949  +8*e_4_3_3 &
52950  -6*e_3_2_3)
52951  e_4_4_3 = zeta*( c1*e_3_3_3 &
52952  +c2*e_4_3_3&
52953  +10*e_5_3_3 &
52954  -6*e_4_2_3)
52955  e_5_4_3 = zeta*( c1*e_4_3_3 &
52956  +c2*e_5_3_3&
52957  +12*e_6_3_3 &
52958  -6*e_5_2_3)
52959  e_6_4_3 = zeta*( c1*e_5_3_3 &
52960  +c2*e_6_3_3&
52961 
52962  )
52963  e_7_4_3 = zeta*( c1*e_6_3_3 &
52964 
52965 
52966  )
52967 
52968  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
52969  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
52970  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
52971  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
52972  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
52973  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
52974  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
52975  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
52976  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
52977  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
52978  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
52979  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
52980  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
52981  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
52982  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
52983  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
52984  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
52985  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
52986  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
52987  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
52988  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
52989  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
52990  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
52991  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
52992  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
52993  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
52994  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
52995  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
52996  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
52997  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
52998  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
52999  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
53000  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
53001  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
53002  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
53003  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
53004  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
53005  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
53006  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
53007  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
53008  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
53009  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
53010  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
53011  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
53012  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
53013  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
53014  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
53015  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
53016  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
53017  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
53018  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
53019  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
53020  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
53021  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
53022  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
53023  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
53024  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
53025  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
53026  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
53027  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
53028  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
53029  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
53030  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
53031  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
53032  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
53033  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
53034  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
53035  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
53036  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
53037  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
53038  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
53039  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
53040  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
53041  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
53042  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
53043  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
53044  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
53045  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
53046  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
53047  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
53048  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
53049  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
53050  s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
53051  s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
53052  s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
53053  s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
53054  s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
53055  s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
53056  s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
53057  s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
53058  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
53059  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
53060  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
53061  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
53062  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
53063  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
53064  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
53065  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
53066  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
53067  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
53068  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
53069  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
53070  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
53071  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
53072  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
53073  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
53074  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
53075  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
53076  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
53077  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
53078  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
53079  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
53080  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
53081  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
53082  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
53083  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
53084  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
53085  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
53086  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
53087  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
53088  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
53089  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
53090  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
53091  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
53092  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
53093  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
53094  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
53095  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
53096  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
53097  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
53098  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
53099  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
53100  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
53101  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
53102  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
53103  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
53104  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
53105  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
53106  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
53107  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
53108  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
53109  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
53110  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
53111  s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
53112  s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
53113  s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
53114  s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
53115  s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
53116  s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
53117  s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
53118  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
53119  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
53120  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
53121  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
53122  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
53123  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
53124  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
53125  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
53126  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
53127  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
53128  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
53129  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
53130  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
53131  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
53132  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
53133  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
53134  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
53135  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
53136  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
53137  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
53138  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
53139  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
53140  s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
53141  s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
53142  s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
53143  s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
53144  s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
53145  s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
53146  s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
53147  s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
53148  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
53149  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
53150  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
53151  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
53152  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
53153  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
53154  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
53155  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
53156  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
53157  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
53158  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
53159  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
53160  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
53161  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
53162  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
53163  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
53164  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
53165  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
53166  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
53167  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
53168  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
53169  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
53170  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
53171  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
53172  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
53173  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
53174  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
53175  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
53176  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
53177  s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
53178  s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
53179  s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
53180  s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
53181  s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
53182  s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
53183  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
53184  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
53185  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
53186  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
53187  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
53188  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
53189  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
53190  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
53191  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
53192  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
53193  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
53194  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
53195  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
53196  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
53197  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
53198  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
53199  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
53200  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
53201  s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
53202  s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
53203  s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
53204  s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
53205  s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
53206  s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
53207  s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
53208  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
53209  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
53210  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
53211  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
53212  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
53213  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
53214  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
53215  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
53216  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
53217  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
53218  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
53219  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
53220  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
53221  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
53222  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
53223  s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
53224  s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
53225  s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
53226  s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
53227  s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
53228  s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
53229  s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
53230  s_r(4, 3, 2) = s_r(4, 3, 2) + e_0_4_3*(1)*s_r_t2_2 ! cost: 5 flops
53231  s_r(4, 3, 2) = s_r(4, 3, 2) + e_1_4_3*(1)*s_r_t2_3 ! cost: 5 flops
53232  s_r(4, 3, 2) = s_r(4, 3, 2) + e_2_4_3*(1)*s_r_t2_4 ! cost: 5 flops
53233  s_r(4, 3, 2) = s_r(4, 3, 2) + e_3_4_3*(1)*s_r_t2_5 ! cost: 5 flops
53234  s_r(4, 3, 2) = s_r(4, 3, 2) + e_4_4_3*(1)*s_r_t2_6 ! cost: 5 flops
53235  s_r(4, 3, 2) = s_r(4, 3, 2) + e_5_4_3*(1)*s_r_t2_7 ! cost: 5 flops
53236  s_r(4, 3, 2) = s_r(4, 3, 2) + e_6_4_3*(1)*s_r_t2_8 ! cost: 5 flops
53237  s_r(4, 3, 2) = s_r(4, 3, 2) + e_7_4_3*(1)*s_r_t2_9 ! cost: 5 flops
53238  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
53239  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
53240  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
53241  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
53242  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
53243  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
53244  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
53245  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
53246  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
53247  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
53248  s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
53249  s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
53250  s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
53251  s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
53252  s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
53253  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
53254  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
53255  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
53256  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
53257  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
53258  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
53259  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
53260  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
53261  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
53262  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
53263  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
53264  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
53265  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
53266  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
53267  s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
53268  s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
53269  s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
53270  s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
53271  s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
53272  s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
53273  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
53274  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
53275  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
53276  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
53277  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
53278  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
53279  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
53280  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
53281  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
53282  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
53283  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
53284  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
53285  s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
53286  s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
53287  s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
53288  s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
53289  s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
53290  s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
53291  s_r(4, 2, 3) = s_r(4, 2, 3) + e_0_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
53292  s_r(4, 2, 3) = s_r(4, 2, 3) + e_1_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
53293  s_r(4, 2, 3) = s_r(4, 2, 3) + e_2_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
53294  s_r(4, 2, 3) = s_r(4, 2, 3) + e_3_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
53295  s_r(4, 2, 3) = s_r(4, 2, 3) + e_4_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
53296  s_r(4, 2, 3) = s_r(4, 2, 3) + e_5_4_2*(-1)*s_r_t2_8 ! cost: 5 flops
53297  s_r(4, 2, 3) = s_r(4, 2, 3) + e_6_4_2*(-1)*s_r_t2_9 ! cost: 5 flops
53298  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
53299  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
53300  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
53301  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
53302  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
53303  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
53304  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
53305  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
53306  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
53307  s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
53308  s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
53309  s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
53310  s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
53311  s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
53312  s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
53313  s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
53314  s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
53315  s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
53316  s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
53317  s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
53318  s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
53319  s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
53320  s_r(4, 3, 3) = s_r(4, 3, 3) + e_0_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
53321  s_r(4, 3, 3) = s_r(4, 3, 3) + e_1_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
53322  s_r(4, 3, 3) = s_r(4, 3, 3) + e_2_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
53323  s_r(4, 3, 3) = s_r(4, 3, 3) + e_3_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
53324  s_r(4, 3, 3) = s_r(4, 3, 3) + e_4_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
53325  s_r(4, 3, 3) = s_r(4, 3, 3) + e_5_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
53326  s_r(4, 3, 3) = s_r(4, 3, 3) + e_6_4_3*(-1)*s_r_t2_9 ! cost: 5 flops
53327  s_r(4, 3, 3) = s_r(4, 3, 3) + e_7_4_3*(-1)*s_r_t2_10 ! cost: 5 flops
53328  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
53329  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
53330  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
53331  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
53332  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
53333  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
53334  s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
53335  s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
53336  s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
53337  s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
53338  s_r(4, 0, 4) = s_r(4, 0, 4) + e_0_4_0*(1)*s_r_t2_4 ! cost: 5 flops
53339  s_r(4, 0, 4) = s_r(4, 0, 4) + e_1_4_0*(1)*s_r_t2_5 ! cost: 5 flops
53340  s_r(4, 0, 4) = s_r(4, 0, 4) + e_2_4_0*(1)*s_r_t2_6 ! cost: 5 flops
53341  s_r(4, 0, 4) = s_r(4, 0, 4) + e_3_4_0*(1)*s_r_t2_7 ! cost: 5 flops
53342  s_r(4, 0, 4) = s_r(4, 0, 4) + e_4_4_0*(1)*s_r_t2_8 ! cost: 5 flops
53343  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
53344  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
53345  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
53346  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
53347  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
53348  s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
53349  s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
53350  s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
53351  s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
53352  s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
53353  s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
53354  s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
53355  s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
53356  s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
53357  s_r(4, 1, 4) = s_r(4, 1, 4) + e_0_4_1*(1)*s_r_t2_4 ! cost: 5 flops
53358  s_r(4, 1, 4) = s_r(4, 1, 4) + e_1_4_1*(1)*s_r_t2_5 ! cost: 5 flops
53359  s_r(4, 1, 4) = s_r(4, 1, 4) + e_2_4_1*(1)*s_r_t2_6 ! cost: 5 flops
53360  s_r(4, 1, 4) = s_r(4, 1, 4) + e_3_4_1*(1)*s_r_t2_7 ! cost: 5 flops
53361  s_r(4, 1, 4) = s_r(4, 1, 4) + e_4_4_1*(1)*s_r_t2_8 ! cost: 5 flops
53362  s_r(4, 1, 4) = s_r(4, 1, 4) + e_5_4_1*(1)*s_r_t2_9 ! cost: 5 flops
53363  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
53364  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
53365  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
53366  s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
53367  s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
53368  s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
53369  s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
53370  s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
53371  s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
53372  s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
53373  s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
53374  s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
53375  s_r(3, 2, 4) = s_r(3, 2, 4) + e_0_3_2*(1)*s_r_t2_4 ! cost: 5 flops
53376  s_r(3, 2, 4) = s_r(3, 2, 4) + e_1_3_2*(1)*s_r_t2_5 ! cost: 5 flops
53377  s_r(3, 2, 4) = s_r(3, 2, 4) + e_2_3_2*(1)*s_r_t2_6 ! cost: 5 flops
53378  s_r(3, 2, 4) = s_r(3, 2, 4) + e_3_3_2*(1)*s_r_t2_7 ! cost: 5 flops
53379  s_r(3, 2, 4) = s_r(3, 2, 4) + e_4_3_2*(1)*s_r_t2_8 ! cost: 5 flops
53380  s_r(3, 2, 4) = s_r(3, 2, 4) + e_5_3_2*(1)*s_r_t2_9 ! cost: 5 flops
53381  s_r(4, 2, 4) = s_r(4, 2, 4) + e_0_4_2*(1)*s_r_t2_4 ! cost: 5 flops
53382  s_r(4, 2, 4) = s_r(4, 2, 4) + e_1_4_2*(1)*s_r_t2_5 ! cost: 5 flops
53383  s_r(4, 2, 4) = s_r(4, 2, 4) + e_2_4_2*(1)*s_r_t2_6 ! cost: 5 flops
53384  s_r(4, 2, 4) = s_r(4, 2, 4) + e_3_4_2*(1)*s_r_t2_7 ! cost: 5 flops
53385  s_r(4, 2, 4) = s_r(4, 2, 4) + e_4_4_2*(1)*s_r_t2_8 ! cost: 5 flops
53386  s_r(4, 2, 4) = s_r(4, 2, 4) + e_5_4_2*(1)*s_r_t2_9 ! cost: 5 flops
53387  s_r(4, 2, 4) = s_r(4, 2, 4) + e_6_4_2*(1)*s_r_t2_10 ! cost: 5 flops
53388  s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
53389  s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
53390  s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
53391  s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
53392  s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
53393  s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
53394  s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
53395  s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
53396  s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
53397  s_r(2, 3, 4) = s_r(2, 3, 4) + e_0_2_3*(1)*s_r_t2_4 ! cost: 5 flops
53398  s_r(2, 3, 4) = s_r(2, 3, 4) + e_1_2_3*(1)*s_r_t2_5 ! cost: 5 flops
53399  s_r(2, 3, 4) = s_r(2, 3, 4) + e_2_2_3*(1)*s_r_t2_6 ! cost: 5 flops
53400  s_r(2, 3, 4) = s_r(2, 3, 4) + e_3_2_3*(1)*s_r_t2_7 ! cost: 5 flops
53401  s_r(2, 3, 4) = s_r(2, 3, 4) + e_4_2_3*(1)*s_r_t2_8 ! cost: 5 flops
53402  s_r(2, 3, 4) = s_r(2, 3, 4) + e_5_2_3*(1)*s_r_t2_9 ! cost: 5 flops
53403  s_r(3, 3, 4) = s_r(3, 3, 4) + e_0_3_3*(1)*s_r_t2_4 ! cost: 5 flops
53404  s_r(3, 3, 4) = s_r(3, 3, 4) + e_1_3_3*(1)*s_r_t2_5 ! cost: 5 flops
53405  s_r(3, 3, 4) = s_r(3, 3, 4) + e_2_3_3*(1)*s_r_t2_6 ! cost: 5 flops
53406  s_r(3, 3, 4) = s_r(3, 3, 4) + e_3_3_3*(1)*s_r_t2_7 ! cost: 5 flops
53407  s_r(3, 3, 4) = s_r(3, 3, 4) + e_4_3_3*(1)*s_r_t2_8 ! cost: 5 flops
53408  s_r(3, 3, 4) = s_r(3, 3, 4) + e_5_3_3*(1)*s_r_t2_9 ! cost: 5 flops
53409  s_r(3, 3, 4) = s_r(3, 3, 4) + e_6_3_3*(1)*s_r_t2_10 ! cost: 5 flops
53410  s_r(4, 3, 4) = s_r(4, 3, 4) + e_0_4_3*(1)*s_r_t2_4 ! cost: 5 flops
53411  s_r(4, 3, 4) = s_r(4, 3, 4) + e_1_4_3*(1)*s_r_t2_5 ! cost: 5 flops
53412  s_r(4, 3, 4) = s_r(4, 3, 4) + e_2_4_3*(1)*s_r_t2_6 ! cost: 5 flops
53413  s_r(4, 3, 4) = s_r(4, 3, 4) + e_3_4_3*(1)*s_r_t2_7 ! cost: 5 flops
53414  s_r(4, 3, 4) = s_r(4, 3, 4) + e_4_4_3*(1)*s_r_t2_8 ! cost: 5 flops
53415  s_r(4, 3, 4) = s_r(4, 3, 4) + e_5_4_3*(1)*s_r_t2_9 ! cost: 5 flops
53416  s_r(4, 3, 4) = s_r(4, 3, 4) + e_6_4_3*(1)*s_r_t2_10 ! cost: 5 flops
53417  s_r(4, 3, 4) = s_r(4, 3, 4) + e_7_4_3*(1)*s_r_t2_11 ! cost: 5 flops
53418  r1 = r1 + dr
53419  END DO
53420 
53421  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
53422  END SUBROUTINE
53423  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_4_0_exp_0 ( &
53424  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
53425  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
53426  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
53427  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
53428  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
53429  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
53430  r_pow_t, r_tmp, rr1_delta, rr2_delta
53431 
53432  REAL(kind=dp) :: c1, c2, c3
53433  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
53434  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
53435  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
53436  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
53437  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
53438  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
53439  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
53440  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
53441  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
53442  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
53443  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
53444  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
53445  & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
53446  & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3,&
53447  & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
53448  & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4,&
53449  & e_0_4_4, e_1_4_4, e_2_4_4, e_3_4_4, e_4_4_4, e_5_4_4, e_6_4_4, e_7_4_4, e_8_4_4
53450 
53451 
53452  dr = lgth
53453  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
53454 
53455  s_r(:, :, :) = 0.0_dp
53456 
53457  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
53458 
53459  h_to_c_0_0 = sqrt(alpha/pi)
53460 
53461  h_to_c_0_1 = 0.0_dp
53462  h_to_c_1_1 = +2*alpha*h_to_c_0_0
53463  h_to_c_0_2 = -1*h_to_c_1_1
53464  h_to_c_1_2 = +2*alpha*h_to_c_0_1
53465  h_to_c_2_2 = +2*alpha*h_to_c_1_1
53466  h_to_c_0_3 = -1*h_to_c_1_2
53467  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
53468  h_to_c_2_3 = +2*alpha*h_to_c_1_2
53469  h_to_c_3_3 = +2*alpha*h_to_c_2_2
53470  h_to_c_0_4 = -1*h_to_c_1_3
53471  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
53472  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
53473  h_to_c_3_4 = +2*alpha*h_to_c_2_3
53474  h_to_c_4_4 = +2*alpha*h_to_c_3_3
53475  h_to_c_0_5 = -1*h_to_c_1_4
53476  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
53477  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
53478  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
53479  h_to_c_4_5 = +2*alpha*h_to_c_3_4
53480  h_to_c_5_5 = +2*alpha*h_to_c_4_4
53481  h_to_c_0_6 = -1*h_to_c_1_5
53482  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
53483  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
53484  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
53485  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
53486  h_to_c_5_6 = +2*alpha*h_to_c_4_5
53487  h_to_c_6_6 = +2*alpha*h_to_c_5_5
53488  h_to_c_0_7 = -1*h_to_c_1_6
53489  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
53490  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
53491  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
53492  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
53493  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
53494  h_to_c_6_7 = +2*alpha*h_to_c_5_6
53495  h_to_c_7_7 = +2*alpha*h_to_c_6_6
53496  h_to_c_0_8 = -1*h_to_c_1_7
53497  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
53498  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
53499  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
53500  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
53501  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
53502  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
53503  h_to_c_7_8 = +2*alpha*h_to_c_6_7
53504  h_to_c_8_8 = +2*alpha*h_to_c_7_7
53505 
53506 
53507  rr1_delta = (ra - rb)/dr
53508 
53509  rr1_l = ceiling(-r_c(1) + rr1_delta)
53510  rr1_r = floor(r_c(1) + rr1_delta)
53511 
53512  r1 = rr1_l*dr
53513 
53514  alpha_e = zeta*zetb/(zeta + zetb)
53515 
53516  DO rr1 = rr1_l, rr1_r
53517  s_r_t_0 = 0.0_dp
53518  s_r_t2_0 = 0.0_dp
53519  s_r_t_1 = 0.0_dp
53520  s_r_t2_1 = 0.0_dp
53521  s_r_t_2 = 0.0_dp
53522  s_r_t2_2 = 0.0_dp
53523  s_r_t_3 = 0.0_dp
53524  s_r_t2_3 = 0.0_dp
53525  s_r_t_4 = 0.0_dp
53526  s_r_t2_4 = 0.0_dp
53527  s_r_t_5 = 0.0_dp
53528  s_r_t2_5 = 0.0_dp
53529  s_r_t_6 = 0.0_dp
53530  s_r_t2_6 = 0.0_dp
53531  s_r_t_7 = 0.0_dp
53532  s_r_t2_7 = 0.0_dp
53533  s_r_t_8 = 0.0_dp
53534  s_r_t2_8 = 0.0_dp
53535  r_tmp = r_offset + r1*zeta/(zeta + zetb)
53536  rr2_delta = -r_tmp/dr
53537 
53538  rr2_l = ceiling(-r_c(2) + rr2_delta)
53539  rr2_r = floor(r_c(2) + rr2_delta)
53540 
53541  r = r_tmp + (rr2_l)*dr
53542 
53543 
53544  DO rr2 = rr2_l, rr2_r
53545  r_pow_t = 1.0_dp
53546  exp2_rsq = exp(-alpha*r*r)
53547  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
53548  r_pow_t = r_pow_t*r
53549  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
53550  r_pow_t = r_pow_t*r
53551  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
53552  r_pow_t = r_pow_t*r
53553  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
53554  r_pow_t = r_pow_t*r
53555  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
53556  r_pow_t = r_pow_t*r
53557  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
53558  r_pow_t = r_pow_t*r
53559  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
53560  r_pow_t = r_pow_t*r
53561  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
53562  r_pow_t = r_pow_t*r
53563  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
53564 
53565  r = r + dr
53566  END DO
53567 
53568  ! C --> H
53569  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
53570  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
53571  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
53572  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
53573  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
53574  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
53575  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
53576  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
53577  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
53578  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
53579  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
53580  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
53581  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
53582  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
53583  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
53584  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
53585  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
53586  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
53587  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
53588  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
53589  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
53590  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
53591  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
53592  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
53593  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
53594  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
53595  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
53596  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
53597  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
53598  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
53599  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
53600  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
53601  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
53602  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
53603  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
53604  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
53605  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
53606  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
53607  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
53608  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
53609  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
53610  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
53611  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
53612  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
53613  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
53614 
53615  ! H --> HH
53616  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
53617 
53618  c1 = 1.0_dp/(zeta + zetb)
53619  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
53620  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
53621 
53622  e_0_1_0 = zeta*( &
53623  +c2*e_0_0_0&
53624 
53625  )
53626  e_0_0_1 = zetb*( &
53627  +c3*e_0_0_0&
53628 
53629  )
53630  e_1_1_0 = zeta*( c1*e_0_0_0 &
53631 
53632 
53633  )
53634  e_1_0_1 = zetb*( c1*e_0_0_0 &
53635 
53636 
53637  )
53638  e_0_2_0 = zeta*( &
53639  +c2*e_0_1_0&
53640  +2*e_1_1_0 &
53641  -2*e_0_0_0)
53642  e_0_1_1 = zetb*( &
53643  +c3*e_0_1_0&
53644  +2*e_1_1_0 &
53645  )
53646  e_1_2_0 = zeta*( c1*e_0_1_0 &
53647  +c2*e_1_1_0&
53648 
53649  )
53650  e_1_1_1 = zetb*( c1*e_0_1_0 &
53651  +c3*e_1_1_0&
53652 
53653  )
53654  e_2_2_0 = zeta*( c1*e_1_1_0 &
53655 
53656 
53657  )
53658  e_2_1_1 = zetb*( c1*e_1_1_0 &
53659 
53660 
53661  )
53662  e_0_3_0 = zeta*( &
53663  +c2*e_0_2_0&
53664  +2*e_1_2_0 &
53665  -4*e_0_1_0)
53666  e_0_2_1 = zetb*( &
53667  +c3*e_0_2_0&
53668  +2*e_1_2_0 &
53669  )
53670  e_1_3_0 = zeta*( c1*e_0_2_0 &
53671  +c2*e_1_2_0&
53672  +4*e_2_2_0 &
53673  -4*e_1_1_0)
53674  e_1_2_1 = zetb*( c1*e_0_2_0 &
53675  +c3*e_1_2_0&
53676  +4*e_2_2_0 &
53677  )
53678  e_2_3_0 = zeta*( c1*e_1_2_0 &
53679  +c2*e_2_2_0&
53680 
53681  )
53682  e_2_2_1 = zetb*( c1*e_1_2_0 &
53683  +c3*e_2_2_0&
53684 
53685  )
53686  e_3_3_0 = zeta*( c1*e_2_2_0 &
53687 
53688 
53689  )
53690  e_3_2_1 = zetb*( c1*e_2_2_0 &
53691 
53692 
53693  )
53694  e_0_4_0 = zeta*( &
53695  +c2*e_0_3_0&
53696  +2*e_1_3_0 &
53697  -6*e_0_2_0)
53698  e_0_3_1 = zetb*( &
53699  +c3*e_0_3_0&
53700  +2*e_1_3_0 &
53701  )
53702  e_1_4_0 = zeta*( c1*e_0_3_0 &
53703  +c2*e_1_3_0&
53704  +4*e_2_3_0 &
53705  -6*e_1_2_0)
53706  e_1_3_1 = zetb*( c1*e_0_3_0 &
53707  +c3*e_1_3_0&
53708  +4*e_2_3_0 &
53709  )
53710  e_2_4_0 = zeta*( c1*e_1_3_0 &
53711  +c2*e_2_3_0&
53712  +6*e_3_3_0 &
53713  -6*e_2_2_0)
53714  e_2_3_1 = zetb*( c1*e_1_3_0 &
53715  +c3*e_2_3_0&
53716  +6*e_3_3_0 &
53717  )
53718  e_3_4_0 = zeta*( c1*e_2_3_0 &
53719  +c2*e_3_3_0&
53720 
53721  )
53722  e_3_3_1 = zetb*( c1*e_2_3_0 &
53723  +c3*e_3_3_0&
53724 
53725  )
53726  e_4_4_0 = zeta*( c1*e_3_3_0 &
53727 
53728 
53729  )
53730  e_4_3_1 = zetb*( c1*e_3_3_0 &
53731 
53732 
53733  )
53734  e_0_4_1 = zetb*( &
53735  +c3*e_0_4_0&
53736  +2*e_1_4_0 &
53737  )
53738  e_1_4_1 = zetb*( c1*e_0_4_0 &
53739  +c3*e_1_4_0&
53740  +4*e_2_4_0 &
53741  )
53742  e_2_4_1 = zetb*( c1*e_1_4_0 &
53743  +c3*e_2_4_0&
53744  +6*e_3_4_0 &
53745  )
53746  e_3_4_1 = zetb*( c1*e_2_4_0 &
53747  +c3*e_3_4_0&
53748  +8*e_4_4_0 &
53749  )
53750  e_4_4_1 = zetb*( c1*e_3_4_0 &
53751  +c3*e_4_4_0&
53752 
53753  )
53754  e_5_4_1 = zetb*( c1*e_4_4_0 &
53755 
53756 
53757  )
53758  e_0_1_1 = zeta*( &
53759  +c2*e_0_0_1&
53760  +2*e_1_0_1 &
53761  )
53762  e_0_0_2 = zetb*( &
53763  +c3*e_0_0_1&
53764  +2*e_1_0_1 &
53765  -2*e_0_0_0)
53766  e_1_1_1 = zeta*( c1*e_0_0_1 &
53767  +c2*e_1_0_1&
53768 
53769  )
53770  e_1_0_2 = zetb*( c1*e_0_0_1 &
53771  +c3*e_1_0_1&
53772 
53773  )
53774  e_2_1_1 = zeta*( c1*e_1_0_1 &
53775 
53776 
53777  )
53778  e_2_0_2 = zetb*( c1*e_1_0_1 &
53779 
53780 
53781  )
53782  e_0_2_1 = zeta*( &
53783  +c2*e_0_1_1&
53784  +2*e_1_1_1 &
53785  -2*e_0_0_1)
53786  e_0_1_2 = zetb*( &
53787  +c3*e_0_1_1&
53788  +2*e_1_1_1 &
53789  -2*e_0_1_0)
53790  e_1_2_1 = zeta*( c1*e_0_1_1 &
53791  +c2*e_1_1_1&
53792  +4*e_2_1_1 &
53793  -2*e_1_0_1)
53794  e_1_1_2 = zetb*( c1*e_0_1_1 &
53795  +c3*e_1_1_1&
53796  +4*e_2_1_1 &
53797  -2*e_1_1_0)
53798  e_2_2_1 = zeta*( c1*e_1_1_1 &
53799  +c2*e_2_1_1&
53800 
53801  )
53802  e_2_1_2 = zetb*( c1*e_1_1_1 &
53803  +c3*e_2_1_1&
53804 
53805  )
53806  e_3_2_1 = zeta*( c1*e_2_1_1 &
53807 
53808 
53809  )
53810  e_3_1_2 = zetb*( c1*e_2_1_1 &
53811 
53812 
53813  )
53814  e_0_3_1 = zeta*( &
53815  +c2*e_0_2_1&
53816  +2*e_1_2_1 &
53817  -4*e_0_1_1)
53818  e_0_2_2 = zetb*( &
53819  +c3*e_0_2_1&
53820  +2*e_1_2_1 &
53821  -2*e_0_2_0)
53822  e_1_3_1 = zeta*( c1*e_0_2_1 &
53823  +c2*e_1_2_1&
53824  +4*e_2_2_1 &
53825  -4*e_1_1_1)
53826  e_1_2_2 = zetb*( c1*e_0_2_1 &
53827  +c3*e_1_2_1&
53828  +4*e_2_2_1 &
53829  -2*e_1_2_0)
53830  e_2_3_1 = zeta*( c1*e_1_2_1 &
53831  +c2*e_2_2_1&
53832  +6*e_3_2_1 &
53833  -4*e_2_1_1)
53834  e_2_2_2 = zetb*( c1*e_1_2_1 &
53835  +c3*e_2_2_1&
53836  +6*e_3_2_1 &
53837  -2*e_2_2_0)
53838  e_3_3_1 = zeta*( c1*e_2_2_1 &
53839  +c2*e_3_2_1&
53840 
53841  )
53842  e_3_2_2 = zetb*( c1*e_2_2_1 &
53843  +c3*e_3_2_1&
53844 
53845  )
53846  e_4_3_1 = zeta*( c1*e_3_2_1 &
53847 
53848 
53849  )
53850  e_4_2_2 = zetb*( c1*e_3_2_1 &
53851 
53852 
53853  )
53854  e_0_4_1 = zeta*( &
53855  +c2*e_0_3_1&
53856  +2*e_1_3_1 &
53857  -6*e_0_2_1)
53858  e_0_3_2 = zetb*( &
53859  +c3*e_0_3_1&
53860  +2*e_1_3_1 &
53861  -2*e_0_3_0)
53862  e_1_4_1 = zeta*( c1*e_0_3_1 &
53863  +c2*e_1_3_1&
53864  +4*e_2_3_1 &
53865  -6*e_1_2_1)
53866  e_1_3_2 = zetb*( c1*e_0_3_1 &
53867  +c3*e_1_3_1&
53868  +4*e_2_3_1 &
53869  -2*e_1_3_0)
53870  e_2_4_1 = zeta*( c1*e_1_3_1 &
53871  +c2*e_2_3_1&
53872  +6*e_3_3_1 &
53873  -6*e_2_2_1)
53874  e_2_3_2 = zetb*( c1*e_1_3_1 &
53875  +c3*e_2_3_1&
53876  +6*e_3_3_1 &
53877  -2*e_2_3_0)
53878  e_3_4_1 = zeta*( c1*e_2_3_1 &
53879  +c2*e_3_3_1&
53880  +8*e_4_3_1 &
53881  -6*e_3_2_1)
53882  e_3_3_2 = zetb*( c1*e_2_3_1 &
53883  +c3*e_3_3_1&
53884  +8*e_4_3_1 &
53885  -2*e_3_3_0)
53886  e_4_4_1 = zeta*( c1*e_3_3_1 &
53887  +c2*e_4_3_1&
53888 
53889  )
53890  e_4_3_2 = zetb*( c1*e_3_3_1 &
53891  +c3*e_4_3_1&
53892 
53893  )
53894  e_5_4_1 = zeta*( c1*e_4_3_1 &
53895 
53896 
53897  )
53898  e_5_3_2 = zetb*( c1*e_4_3_1 &
53899 
53900 
53901  )
53902  e_0_4_2 = zetb*( &
53903  +c3*e_0_4_1&
53904  +2*e_1_4_1 &
53905  -2*e_0_4_0)
53906  e_1_4_2 = zetb*( c1*e_0_4_1 &
53907  +c3*e_1_4_1&
53908  +4*e_2_4_1 &
53909  -2*e_1_4_0)
53910  e_2_4_2 = zetb*( c1*e_1_4_1 &
53911  +c3*e_2_4_1&
53912  +6*e_3_4_1 &
53913  -2*e_2_4_0)
53914  e_3_4_2 = zetb*( c1*e_2_4_1 &
53915  +c3*e_3_4_1&
53916  +8*e_4_4_1 &
53917  -2*e_3_4_0)
53918  e_4_4_2 = zetb*( c1*e_3_4_1 &
53919  +c3*e_4_4_1&
53920  +10*e_5_4_1 &
53921  -2*e_4_4_0)
53922  e_5_4_2 = zetb*( c1*e_4_4_1 &
53923  +c3*e_5_4_1&
53924 
53925  )
53926  e_6_4_2 = zetb*( c1*e_5_4_1 &
53927 
53928 
53929  )
53930  e_0_1_2 = zeta*( &
53931  +c2*e_0_0_2&
53932  +2*e_1_0_2 &
53933  )
53934  e_0_0_3 = zetb*( &
53935  +c3*e_0_0_2&
53936  +2*e_1_0_2 &
53937  -4*e_0_0_1)
53938  e_1_1_2 = zeta*( c1*e_0_0_2 &
53939  +c2*e_1_0_2&
53940  +4*e_2_0_2 &
53941  )
53942  e_1_0_3 = zetb*( c1*e_0_0_2 &
53943  +c3*e_1_0_2&
53944  +4*e_2_0_2 &
53945  -4*e_1_0_1)
53946  e_2_1_2 = zeta*( c1*e_1_0_2 &
53947  +c2*e_2_0_2&
53948 
53949  )
53950  e_2_0_3 = zetb*( c1*e_1_0_2 &
53951  +c3*e_2_0_2&
53952 
53953  )
53954  e_3_1_2 = zeta*( c1*e_2_0_2 &
53955 
53956 
53957  )
53958  e_3_0_3 = zetb*( c1*e_2_0_2 &
53959 
53960 
53961  )
53962  e_0_2_2 = zeta*( &
53963  +c2*e_0_1_2&
53964  +2*e_1_1_2 &
53965  -2*e_0_0_2)
53966  e_0_1_3 = zetb*( &
53967  +c3*e_0_1_2&
53968  +2*e_1_1_2 &
53969  -4*e_0_1_1)
53970  e_1_2_2 = zeta*( c1*e_0_1_2 &
53971  +c2*e_1_1_2&
53972  +4*e_2_1_2 &
53973  -2*e_1_0_2)
53974  e_1_1_3 = zetb*( c1*e_0_1_2 &
53975  +c3*e_1_1_2&
53976  +4*e_2_1_2 &
53977  -4*e_1_1_1)
53978  e_2_2_2 = zeta*( c1*e_1_1_2 &
53979  +c2*e_2_1_2&
53980  +6*e_3_1_2 &
53981  -2*e_2_0_2)
53982  e_2_1_3 = zetb*( c1*e_1_1_2 &
53983  +c3*e_2_1_2&
53984  +6*e_3_1_2 &
53985  -4*e_2_1_1)
53986  e_3_2_2 = zeta*( c1*e_2_1_2 &
53987  +c2*e_3_1_2&
53988 
53989  )
53990  e_3_1_3 = zetb*( c1*e_2_1_2 &
53991  +c3*e_3_1_2&
53992 
53993  )
53994  e_4_2_2 = zeta*( c1*e_3_1_2 &
53995 
53996 
53997  )
53998  e_4_1_3 = zetb*( c1*e_3_1_2 &
53999 
54000 
54001  )
54002  e_0_3_2 = zeta*( &
54003  +c2*e_0_2_2&
54004  +2*e_1_2_2 &
54005  -4*e_0_1_2)
54006  e_0_2_3 = zetb*( &
54007  +c3*e_0_2_2&
54008  +2*e_1_2_2 &
54009  -4*e_0_2_1)
54010  e_1_3_2 = zeta*( c1*e_0_2_2 &
54011  +c2*e_1_2_2&
54012  +4*e_2_2_2 &
54013  -4*e_1_1_2)
54014  e_1_2_3 = zetb*( c1*e_0_2_2 &
54015  +c3*e_1_2_2&
54016  +4*e_2_2_2 &
54017  -4*e_1_2_1)
54018  e_2_3_2 = zeta*( c1*e_1_2_2 &
54019  +c2*e_2_2_2&
54020  +6*e_3_2_2 &
54021  -4*e_2_1_2)
54022  e_2_2_3 = zetb*( c1*e_1_2_2 &
54023  +c3*e_2_2_2&
54024  +6*e_3_2_2 &
54025  -4*e_2_2_1)
54026  e_3_3_2 = zeta*( c1*e_2_2_2 &
54027  +c2*e_3_2_2&
54028  +8*e_4_2_2 &
54029  -4*e_3_1_2)
54030  e_3_2_3 = zetb*( c1*e_2_2_2 &
54031  +c3*e_3_2_2&
54032  +8*e_4_2_2 &
54033  -4*e_3_2_1)
54034  e_4_3_2 = zeta*( c1*e_3_2_2 &
54035  +c2*e_4_2_2&
54036 
54037  )
54038  e_4_2_3 = zetb*( c1*e_3_2_2 &
54039  +c3*e_4_2_2&
54040 
54041  )
54042  e_5_3_2 = zeta*( c1*e_4_2_2 &
54043 
54044 
54045  )
54046  e_5_2_3 = zetb*( c1*e_4_2_2 &
54047 
54048 
54049  )
54050  e_0_4_2 = zeta*( &
54051  +c2*e_0_3_2&
54052  +2*e_1_3_2 &
54053  -6*e_0_2_2)
54054  e_0_3_3 = zetb*( &
54055  +c3*e_0_3_2&
54056  +2*e_1_3_2 &
54057  -4*e_0_3_1)
54058  e_1_4_2 = zeta*( c1*e_0_3_2 &
54059  +c2*e_1_3_2&
54060  +4*e_2_3_2 &
54061  -6*e_1_2_2)
54062  e_1_3_3 = zetb*( c1*e_0_3_2 &
54063  +c3*e_1_3_2&
54064  +4*e_2_3_2 &
54065  -4*e_1_3_1)
54066  e_2_4_2 = zeta*( c1*e_1_3_2 &
54067  +c2*e_2_3_2&
54068  +6*e_3_3_2 &
54069  -6*e_2_2_2)
54070  e_2_3_3 = zetb*( c1*e_1_3_2 &
54071  +c3*e_2_3_2&
54072  +6*e_3_3_2 &
54073  -4*e_2_3_1)
54074  e_3_4_2 = zeta*( c1*e_2_3_2 &
54075  +c2*e_3_3_2&
54076  +8*e_4_3_2 &
54077  -6*e_3_2_2)
54078  e_3_3_3 = zetb*( c1*e_2_3_2 &
54079  +c3*e_3_3_2&
54080  +8*e_4_3_2 &
54081  -4*e_3_3_1)
54082  e_4_4_2 = zeta*( c1*e_3_3_2 &
54083  +c2*e_4_3_2&
54084  +10*e_5_3_2 &
54085  -6*e_4_2_2)
54086  e_4_3_3 = zetb*( c1*e_3_3_2 &
54087  +c3*e_4_3_2&
54088  +10*e_5_3_2 &
54089  -4*e_4_3_1)
54090  e_5_4_2 = zeta*( c1*e_4_3_2 &
54091  +c2*e_5_3_2&
54092 
54093  )
54094  e_5_3_3 = zetb*( c1*e_4_3_2 &
54095  +c3*e_5_3_2&
54096 
54097  )
54098  e_6_4_2 = zeta*( c1*e_5_3_2 &
54099 
54100 
54101  )
54102  e_6_3_3 = zetb*( c1*e_5_3_2 &
54103 
54104 
54105  )
54106  e_0_4_3 = zetb*( &
54107  +c3*e_0_4_2&
54108  +2*e_1_4_2 &
54109  -4*e_0_4_1)
54110  e_1_4_3 = zetb*( c1*e_0_4_2 &
54111  +c3*e_1_4_2&
54112  +4*e_2_4_2 &
54113  -4*e_1_4_1)
54114  e_2_4_3 = zetb*( c1*e_1_4_2 &
54115  +c3*e_2_4_2&
54116  +6*e_3_4_2 &
54117  -4*e_2_4_1)
54118  e_3_4_3 = zetb*( c1*e_2_4_2 &
54119  +c3*e_3_4_2&
54120  +8*e_4_4_2 &
54121  -4*e_3_4_1)
54122  e_4_4_3 = zetb*( c1*e_3_4_2 &
54123  +c3*e_4_4_2&
54124  +10*e_5_4_2 &
54125  -4*e_4_4_1)
54126  e_5_4_3 = zetb*( c1*e_4_4_2 &
54127  +c3*e_5_4_2&
54128  +12*e_6_4_2 &
54129  -4*e_5_4_1)
54130  e_6_4_3 = zetb*( c1*e_5_4_2 &
54131  +c3*e_6_4_2&
54132 
54133  )
54134  e_7_4_3 = zetb*( c1*e_6_4_2 &
54135 
54136 
54137  )
54138  e_0_1_3 = zeta*( &
54139  +c2*e_0_0_3&
54140  +2*e_1_0_3 &
54141  )
54142  e_0_0_4 = zetb*( &
54143  +c3*e_0_0_3&
54144  +2*e_1_0_3 &
54145  -6*e_0_0_2)
54146  e_1_1_3 = zeta*( c1*e_0_0_3 &
54147  +c2*e_1_0_3&
54148  +4*e_2_0_3 &
54149  )
54150  e_1_0_4 = zetb*( c1*e_0_0_3 &
54151  +c3*e_1_0_3&
54152  +4*e_2_0_3 &
54153  -6*e_1_0_2)
54154  e_2_1_3 = zeta*( c1*e_1_0_3 &
54155  +c2*e_2_0_3&
54156  +6*e_3_0_3 &
54157  )
54158  e_2_0_4 = zetb*( c1*e_1_0_3 &
54159  +c3*e_2_0_3&
54160  +6*e_3_0_3 &
54161  -6*e_2_0_2)
54162  e_3_1_3 = zeta*( c1*e_2_0_3 &
54163  +c2*e_3_0_3&
54164 
54165  )
54166  e_3_0_4 = zetb*( c1*e_2_0_3 &
54167  +c3*e_3_0_3&
54168 
54169  )
54170  e_4_1_3 = zeta*( c1*e_3_0_3 &
54171 
54172 
54173  )
54174  e_4_0_4 = zetb*( c1*e_3_0_3 &
54175 
54176 
54177  )
54178  e_0_2_3 = zeta*( &
54179  +c2*e_0_1_3&
54180  +2*e_1_1_3 &
54181  -2*e_0_0_3)
54182  e_0_1_4 = zetb*( &
54183  +c3*e_0_1_3&
54184  +2*e_1_1_3 &
54185  -6*e_0_1_2)
54186  e_1_2_3 = zeta*( c1*e_0_1_3 &
54187  +c2*e_1_1_3&
54188  +4*e_2_1_3 &
54189  -2*e_1_0_3)
54190  e_1_1_4 = zetb*( c1*e_0_1_3 &
54191  +c3*e_1_1_3&
54192  +4*e_2_1_3 &
54193  -6*e_1_1_2)
54194  e_2_2_3 = zeta*( c1*e_1_1_3 &
54195  +c2*e_2_1_3&
54196  +6*e_3_1_3 &
54197  -2*e_2_0_3)
54198  e_2_1_4 = zetb*( c1*e_1_1_3 &
54199  +c3*e_2_1_3&
54200  +6*e_3_1_3 &
54201  -6*e_2_1_2)
54202  e_3_2_3 = zeta*( c1*e_2_1_3 &
54203  +c2*e_3_1_3&
54204  +8*e_4_1_3 &
54205  -2*e_3_0_3)
54206  e_3_1_4 = zetb*( c1*e_2_1_3 &
54207  +c3*e_3_1_3&
54208  +8*e_4_1_3 &
54209  -6*e_3_1_2)
54210  e_4_2_3 = zeta*( c1*e_3_1_3 &
54211  +c2*e_4_1_3&
54212 
54213  )
54214  e_4_1_4 = zetb*( c1*e_3_1_3 &
54215  +c3*e_4_1_3&
54216 
54217  )
54218  e_5_2_3 = zeta*( c1*e_4_1_3 &
54219 
54220 
54221  )
54222  e_5_1_4 = zetb*( c1*e_4_1_3 &
54223 
54224 
54225  )
54226  e_0_3_3 = zeta*( &
54227  +c2*e_0_2_3&
54228  +2*e_1_2_3 &
54229  -4*e_0_1_3)
54230  e_0_2_4 = zetb*( &
54231  +c3*e_0_2_3&
54232  +2*e_1_2_3 &
54233  -6*e_0_2_2)
54234  e_1_3_3 = zeta*( c1*e_0_2_3 &
54235  +c2*e_1_2_3&
54236  +4*e_2_2_3 &
54237  -4*e_1_1_3)
54238  e_1_2_4 = zetb*( c1*e_0_2_3 &
54239  +c3*e_1_2_3&
54240  +4*e_2_2_3 &
54241  -6*e_1_2_2)
54242  e_2_3_3 = zeta*( c1*e_1_2_3 &
54243  +c2*e_2_2_3&
54244  +6*e_3_2_3 &
54245  -4*e_2_1_3)
54246  e_2_2_4 = zetb*( c1*e_1_2_3 &
54247  +c3*e_2_2_3&
54248  +6*e_3_2_3 &
54249  -6*e_2_2_2)
54250  e_3_3_3 = zeta*( c1*e_2_2_3 &
54251  +c2*e_3_2_3&
54252  +8*e_4_2_3 &
54253  -4*e_3_1_3)
54254  e_3_2_4 = zetb*( c1*e_2_2_3 &
54255  +c3*e_3_2_3&
54256  +8*e_4_2_3 &
54257  -6*e_3_2_2)
54258  e_4_3_3 = zeta*( c1*e_3_2_3 &
54259  +c2*e_4_2_3&
54260  +10*e_5_2_3 &
54261  -4*e_4_1_3)
54262  e_4_2_4 = zetb*( c1*e_3_2_3 &
54263  +c3*e_4_2_3&
54264  +10*e_5_2_3 &
54265  -6*e_4_2_2)
54266  e_5_3_3 = zeta*( c1*e_4_2_3 &
54267  +c2*e_5_2_3&
54268 
54269  )
54270  e_5_2_4 = zetb*( c1*e_4_2_3 &
54271  +c3*e_5_2_3&
54272 
54273  )
54274  e_6_3_3 = zeta*( c1*e_5_2_3 &
54275 
54276 
54277  )
54278  e_6_2_4 = zetb*( c1*e_5_2_3 &
54279 
54280 
54281  )
54282  e_0_4_3 = zeta*( &
54283  +c2*e_0_3_3&
54284  +2*e_1_3_3 &
54285  -6*e_0_2_3)
54286  e_0_3_4 = zetb*( &
54287  +c3*e_0_3_3&
54288  +2*e_1_3_3 &
54289  -6*e_0_3_2)
54290  e_1_4_3 = zeta*( c1*e_0_3_3 &
54291  +c2*e_1_3_3&
54292  +4*e_2_3_3 &
54293  -6*e_1_2_3)
54294  e_1_3_4 = zetb*( c1*e_0_3_3 &
54295  +c3*e_1_3_3&
54296  +4*e_2_3_3 &
54297  -6*e_1_3_2)
54298  e_2_4_3 = zeta*( c1*e_1_3_3 &
54299  +c2*e_2_3_3&
54300  +6*e_3_3_3 &
54301  -6*e_2_2_3)
54302  e_2_3_4 = zetb*( c1*e_1_3_3 &
54303  +c3*e_2_3_3&
54304  +6*e_3_3_3 &
54305  -6*e_2_3_2)
54306  e_3_4_3 = zeta*( c1*e_2_3_3 &
54307  +c2*e_3_3_3&
54308  +8*e_4_3_3 &
54309  -6*e_3_2_3)
54310  e_3_3_4 = zetb*( c1*e_2_3_3 &
54311  +c3*e_3_3_3&
54312  +8*e_4_3_3 &
54313  -6*e_3_3_2)
54314  e_4_4_3 = zeta*( c1*e_3_3_3 &
54315  +c2*e_4_3_3&
54316  +10*e_5_3_3 &
54317  -6*e_4_2_3)
54318  e_4_3_4 = zetb*( c1*e_3_3_3 &
54319  +c3*e_4_3_3&
54320  +10*e_5_3_3 &
54321  -6*e_4_3_2)
54322  e_5_4_3 = zeta*( c1*e_4_3_3 &
54323  +c2*e_5_3_3&
54324  +12*e_6_3_3 &
54325  -6*e_5_2_3)
54326  e_5_3_4 = zetb*( c1*e_4_3_3 &
54327  +c3*e_5_3_3&
54328  +12*e_6_3_3 &
54329  -6*e_5_3_2)
54330  e_6_4_3 = zeta*( c1*e_5_3_3 &
54331  +c2*e_6_3_3&
54332 
54333  )
54334  e_6_3_4 = zetb*( c1*e_5_3_3 &
54335  +c3*e_6_3_3&
54336 
54337  )
54338  e_7_4_3 = zeta*( c1*e_6_3_3 &
54339 
54340 
54341  )
54342  e_7_3_4 = zetb*( c1*e_6_3_3 &
54343 
54344 
54345  )
54346  e_0_4_4 = zetb*( &
54347  +c3*e_0_4_3&
54348  +2*e_1_4_3 &
54349  -6*e_0_4_2)
54350  e_1_4_4 = zetb*( c1*e_0_4_3 &
54351  +c3*e_1_4_3&
54352  +4*e_2_4_3 &
54353  -6*e_1_4_2)
54354  e_2_4_4 = zetb*( c1*e_1_4_3 &
54355  +c3*e_2_4_3&
54356  +6*e_3_4_3 &
54357  -6*e_2_4_2)
54358  e_3_4_4 = zetb*( c1*e_2_4_3 &
54359  +c3*e_3_4_3&
54360  +8*e_4_4_3 &
54361  -6*e_3_4_2)
54362  e_4_4_4 = zetb*( c1*e_3_4_3 &
54363  +c3*e_4_4_3&
54364  +10*e_5_4_3 &
54365  -6*e_4_4_2)
54366  e_5_4_4 = zetb*( c1*e_4_4_3 &
54367  +c3*e_5_4_3&
54368  +12*e_6_4_3 &
54369  -6*e_5_4_2)
54370  e_6_4_4 = zetb*( c1*e_5_4_3 &
54371  +c3*e_6_4_3&
54372  +14*e_7_4_3 &
54373  -6*e_6_4_2)
54374  e_7_4_4 = zetb*( c1*e_6_4_3 &
54375  +c3*e_7_4_3&
54376 
54377  )
54378  e_8_4_4 = zetb*( c1*e_7_4_3 &
54379 
54380 
54381  )
54382  e_0_1_4 = zeta*( &
54383  +c2*e_0_0_4&
54384  +2*e_1_0_4 &
54385  )
54386  e_1_1_4 = zeta*( c1*e_0_0_4 &
54387  +c2*e_1_0_4&
54388  +4*e_2_0_4 &
54389  )
54390  e_2_1_4 = zeta*( c1*e_1_0_4 &
54391  +c2*e_2_0_4&
54392  +6*e_3_0_4 &
54393  )
54394  e_3_1_4 = zeta*( c1*e_2_0_4 &
54395  +c2*e_3_0_4&
54396  +8*e_4_0_4 &
54397  )
54398  e_4_1_4 = zeta*( c1*e_3_0_4 &
54399  +c2*e_4_0_4&
54400 
54401  )
54402  e_5_1_4 = zeta*( c1*e_4_0_4 &
54403 
54404 
54405  )
54406  e_0_2_4 = zeta*( &
54407  +c2*e_0_1_4&
54408  +2*e_1_1_4 &
54409  -2*e_0_0_4)
54410  e_1_2_4 = zeta*( c1*e_0_1_4 &
54411  +c2*e_1_1_4&
54412  +4*e_2_1_4 &
54413  -2*e_1_0_4)
54414  e_2_2_4 = zeta*( c1*e_1_1_4 &
54415  +c2*e_2_1_4&
54416  +6*e_3_1_4 &
54417  -2*e_2_0_4)
54418  e_3_2_4 = zeta*( c1*e_2_1_4 &
54419  +c2*e_3_1_4&
54420  +8*e_4_1_4 &
54421  -2*e_3_0_4)
54422  e_4_2_4 = zeta*( c1*e_3_1_4 &
54423  +c2*e_4_1_4&
54424  +10*e_5_1_4 &
54425  -2*e_4_0_4)
54426  e_5_2_4 = zeta*( c1*e_4_1_4 &
54427  +c2*e_5_1_4&
54428 
54429  )
54430  e_6_2_4 = zeta*( c1*e_5_1_4 &
54431 
54432 
54433  )
54434  e_0_3_4 = zeta*( &
54435  +c2*e_0_2_4&
54436  +2*e_1_2_4 &
54437  -4*e_0_1_4)
54438  e_1_3_4 = zeta*( c1*e_0_2_4 &
54439  +c2*e_1_2_4&
54440  +4*e_2_2_4 &
54441  -4*e_1_1_4)
54442  e_2_3_4 = zeta*( c1*e_1_2_4 &
54443  +c2*e_2_2_4&
54444  +6*e_3_2_4 &
54445  -4*e_2_1_4)
54446  e_3_3_4 = zeta*( c1*e_2_2_4 &
54447  +c2*e_3_2_4&
54448  +8*e_4_2_4 &
54449  -4*e_3_1_4)
54450  e_4_3_4 = zeta*( c1*e_3_2_4 &
54451  +c2*e_4_2_4&
54452  +10*e_5_2_4 &
54453  -4*e_4_1_4)
54454  e_5_3_4 = zeta*( c1*e_4_2_4 &
54455  +c2*e_5_2_4&
54456  +12*e_6_2_4 &
54457  -4*e_5_1_4)
54458  e_6_3_4 = zeta*( c1*e_5_2_4 &
54459  +c2*e_6_2_4&
54460 
54461  )
54462  e_7_3_4 = zeta*( c1*e_6_2_4 &
54463 
54464 
54465  )
54466  e_0_4_4 = zeta*( &
54467  +c2*e_0_3_4&
54468  +2*e_1_3_4 &
54469  -6*e_0_2_4)
54470  e_1_4_4 = zeta*( c1*e_0_3_4 &
54471  +c2*e_1_3_4&
54472  +4*e_2_3_4 &
54473  -6*e_1_2_4)
54474  e_2_4_4 = zeta*( c1*e_1_3_4 &
54475  +c2*e_2_3_4&
54476  +6*e_3_3_4 &
54477  -6*e_2_2_4)
54478  e_3_4_4 = zeta*( c1*e_2_3_4 &
54479  +c2*e_3_3_4&
54480  +8*e_4_3_4 &
54481  -6*e_3_2_4)
54482  e_4_4_4 = zeta*( c1*e_3_3_4 &
54483  +c2*e_4_3_4&
54484  +10*e_5_3_4 &
54485  -6*e_4_2_4)
54486  e_5_4_4 = zeta*( c1*e_4_3_4 &
54487  +c2*e_5_3_4&
54488  +12*e_6_3_4 &
54489  -6*e_5_2_4)
54490  e_6_4_4 = zeta*( c1*e_5_3_4 &
54491  +c2*e_6_3_4&
54492  +14*e_7_3_4 &
54493  -6*e_6_2_4)
54494  e_7_4_4 = zeta*( c1*e_6_3_4 &
54495  +c2*e_7_3_4&
54496 
54497  )
54498  e_8_4_4 = zeta*( c1*e_7_3_4 &
54499 
54500 
54501  )
54502 
54503  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
54504  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
54505  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
54506  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
54507  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
54508  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
54509  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
54510  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
54511  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
54512  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
54513  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
54514  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
54515  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
54516  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
54517  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
54518  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
54519  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
54520  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
54521  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
54522  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
54523  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
54524  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
54525  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
54526  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
54527  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
54528  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
54529  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
54530  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
54531  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
54532  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
54533  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
54534  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
54535  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
54536  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
54537  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
54538  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
54539  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
54540  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
54541  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
54542  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
54543  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
54544  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
54545  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
54546  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
54547  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
54548  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
54549  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
54550  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
54551  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
54552  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
54553  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
54554  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
54555  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
54556  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
54557  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
54558  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
54559  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
54560  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
54561  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
54562  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
54563  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
54564  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
54565  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
54566  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
54567  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
54568  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
54569  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
54570  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
54571  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
54572  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
54573  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
54574  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
54575  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
54576  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
54577  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
54578  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
54579  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
54580  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
54581  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
54582  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
54583  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
54584  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
54585  s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
54586  s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
54587  s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
54588  s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
54589  s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
54590  s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
54591  s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
54592  s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
54593  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
54594  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
54595  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
54596  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
54597  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
54598  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
54599  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
54600  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
54601  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
54602  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
54603  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
54604  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
54605  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
54606  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
54607  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
54608  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
54609  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
54610  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
54611  s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
54612  s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
54613  s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
54614  s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
54615  s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
54616  s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
54617  s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
54618  s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
54619  s_r(4, 4, 0) = s_r(4, 4, 0) + e_0_4_4*(1)*s_r_t2_0 ! cost: 5 flops
54620  s_r(4, 4, 0) = s_r(4, 4, 0) + e_1_4_4*(1)*s_r_t2_1 ! cost: 5 flops
54621  s_r(4, 4, 0) = s_r(4, 4, 0) + e_2_4_4*(1)*s_r_t2_2 ! cost: 5 flops
54622  s_r(4, 4, 0) = s_r(4, 4, 0) + e_3_4_4*(1)*s_r_t2_3 ! cost: 5 flops
54623  s_r(4, 4, 0) = s_r(4, 4, 0) + e_4_4_4*(1)*s_r_t2_4 ! cost: 5 flops
54624  s_r(4, 4, 0) = s_r(4, 4, 0) + e_5_4_4*(1)*s_r_t2_5 ! cost: 5 flops
54625  s_r(4, 4, 0) = s_r(4, 4, 0) + e_6_4_4*(1)*s_r_t2_6 ! cost: 5 flops
54626  s_r(4, 4, 0) = s_r(4, 4, 0) + e_7_4_4*(1)*s_r_t2_7 ! cost: 5 flops
54627  s_r(4, 4, 0) = s_r(4, 4, 0) + e_8_4_4*(1)*s_r_t2_8 ! cost: 5 flops
54628  r1 = r1 + dr
54629  END DO
54630 
54631  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
54632  END SUBROUTINE
54633  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_4_1_exp_0 ( &
54634  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
54635  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
54636  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
54637  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
54638  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
54639  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
54640  r_pow_t, r_tmp, rr1_delta, rr2_delta
54641 
54642  REAL(kind=dp) :: c1, c2, c3
54643  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
54644  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
54645  & s_r_t2_9
54646  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
54647  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
54648  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
54649  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
54650  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
54651  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
54652  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
54653  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
54654  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
54655  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
54656  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
54657  & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
54658  & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3,&
54659  & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
54660  & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4,&
54661  & e_0_4_4, e_1_4_4, e_2_4_4, e_3_4_4, e_4_4_4, e_5_4_4, e_6_4_4, e_7_4_4, e_8_4_4
54662 
54663 
54664  dr = lgth
54665  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
54666 
54667  s_r(:, :, :) = 0.0_dp
54668 
54669  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
54670 
54671  h_to_c_0_0 = sqrt(alpha/pi)
54672 
54673  h_to_c_0_1 = 0.0_dp
54674  h_to_c_1_1 = +2*alpha*h_to_c_0_0
54675  h_to_c_0_2 = -1*h_to_c_1_1
54676  h_to_c_1_2 = +2*alpha*h_to_c_0_1
54677  h_to_c_2_2 = +2*alpha*h_to_c_1_1
54678  h_to_c_0_3 = -1*h_to_c_1_2
54679  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
54680  h_to_c_2_3 = +2*alpha*h_to_c_1_2
54681  h_to_c_3_3 = +2*alpha*h_to_c_2_2
54682  h_to_c_0_4 = -1*h_to_c_1_3
54683  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
54684  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
54685  h_to_c_3_4 = +2*alpha*h_to_c_2_3
54686  h_to_c_4_4 = +2*alpha*h_to_c_3_3
54687  h_to_c_0_5 = -1*h_to_c_1_4
54688  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
54689  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
54690  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
54691  h_to_c_4_5 = +2*alpha*h_to_c_3_4
54692  h_to_c_5_5 = +2*alpha*h_to_c_4_4
54693  h_to_c_0_6 = -1*h_to_c_1_5
54694  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
54695  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
54696  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
54697  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
54698  h_to_c_5_6 = +2*alpha*h_to_c_4_5
54699  h_to_c_6_6 = +2*alpha*h_to_c_5_5
54700  h_to_c_0_7 = -1*h_to_c_1_6
54701  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
54702  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
54703  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
54704  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
54705  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
54706  h_to_c_6_7 = +2*alpha*h_to_c_5_6
54707  h_to_c_7_7 = +2*alpha*h_to_c_6_6
54708  h_to_c_0_8 = -1*h_to_c_1_7
54709  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
54710  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
54711  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
54712  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
54713  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
54714  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
54715  h_to_c_7_8 = +2*alpha*h_to_c_6_7
54716  h_to_c_8_8 = +2*alpha*h_to_c_7_7
54717  h_to_c_0_9 = -1*h_to_c_1_8
54718  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
54719  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
54720  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
54721  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
54722  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
54723  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
54724  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
54725  h_to_c_8_9 = +2*alpha*h_to_c_7_8
54726  h_to_c_9_9 = +2*alpha*h_to_c_8_8
54727 
54728 
54729  rr1_delta = (ra - rb)/dr
54730 
54731  rr1_l = ceiling(-r_c(1) + rr1_delta)
54732  rr1_r = floor(r_c(1) + rr1_delta)
54733 
54734  r1 = rr1_l*dr
54735 
54736  alpha_e = zeta*zetb/(zeta + zetb)
54737 
54738  DO rr1 = rr1_l, rr1_r
54739  s_r_t_0 = 0.0_dp
54740  s_r_t2_0 = 0.0_dp
54741  s_r_t_1 = 0.0_dp
54742  s_r_t2_1 = 0.0_dp
54743  s_r_t_2 = 0.0_dp
54744  s_r_t2_2 = 0.0_dp
54745  s_r_t_3 = 0.0_dp
54746  s_r_t2_3 = 0.0_dp
54747  s_r_t_4 = 0.0_dp
54748  s_r_t2_4 = 0.0_dp
54749  s_r_t_5 = 0.0_dp
54750  s_r_t2_5 = 0.0_dp
54751  s_r_t_6 = 0.0_dp
54752  s_r_t2_6 = 0.0_dp
54753  s_r_t_7 = 0.0_dp
54754  s_r_t2_7 = 0.0_dp
54755  s_r_t_8 = 0.0_dp
54756  s_r_t2_8 = 0.0_dp
54757  s_r_t_9 = 0.0_dp
54758  s_r_t2_9 = 0.0_dp
54759  r_tmp = r_offset + r1*zeta/(zeta + zetb)
54760  rr2_delta = -r_tmp/dr
54761 
54762  rr2_l = ceiling(-r_c(2) + rr2_delta)
54763  rr2_r = floor(r_c(2) + rr2_delta)
54764 
54765  r = r_tmp + (rr2_l)*dr
54766 
54767 
54768  DO rr2 = rr2_l, rr2_r
54769  r_pow_t = 1.0_dp
54770  exp2_rsq = exp(-alpha*r*r)
54771  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
54772  r_pow_t = r_pow_t*r
54773  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
54774  r_pow_t = r_pow_t*r
54775  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
54776  r_pow_t = r_pow_t*r
54777  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
54778  r_pow_t = r_pow_t*r
54779  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
54780  r_pow_t = r_pow_t*r
54781  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
54782  r_pow_t = r_pow_t*r
54783  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
54784  r_pow_t = r_pow_t*r
54785  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
54786  r_pow_t = r_pow_t*r
54787  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
54788  r_pow_t = r_pow_t*r
54789  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
54790 
54791  r = r + dr
54792  END DO
54793 
54794  ! C --> H
54795  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
54796  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
54797  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
54798  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
54799  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
54800  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
54801  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
54802  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
54803  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
54804  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
54805  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
54806  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
54807  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
54808  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
54809  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
54810  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
54811  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
54812  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
54813  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
54814  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
54815  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
54816  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
54817  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
54818  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
54819  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
54820  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
54821  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
54822  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
54823  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
54824  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
54825  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
54826  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
54827  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
54828  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
54829  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
54830  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
54831  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
54832  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
54833  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
54834  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
54835  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
54836  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
54837  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
54838  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
54839  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
54840  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
54841  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
54842  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
54843  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
54844  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
54845  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
54846  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
54847  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
54848  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
54849  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
54850 
54851  ! H --> HH
54852  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
54853 
54854  c1 = 1.0_dp/(zeta + zetb)
54855  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
54856  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
54857 
54858  e_0_1_0 = zeta*( &
54859  +c2*e_0_0_0&
54860 
54861  )
54862  e_0_0_1 = zetb*( &
54863  +c3*e_0_0_0&
54864 
54865  )
54866  e_1_1_0 = zeta*( c1*e_0_0_0 &
54867 
54868 
54869  )
54870  e_1_0_1 = zetb*( c1*e_0_0_0 &
54871 
54872 
54873  )
54874  e_0_2_0 = zeta*( &
54875  +c2*e_0_1_0&
54876  +2*e_1_1_0 &
54877  -2*e_0_0_0)
54878  e_0_1_1 = zetb*( &
54879  +c3*e_0_1_0&
54880  +2*e_1_1_0 &
54881  )
54882  e_1_2_0 = zeta*( c1*e_0_1_0 &
54883  +c2*e_1_1_0&
54884 
54885  )
54886  e_1_1_1 = zetb*( c1*e_0_1_0 &
54887  +c3*e_1_1_0&
54888 
54889  )
54890  e_2_2_0 = zeta*( c1*e_1_1_0 &
54891 
54892 
54893  )
54894  e_2_1_1 = zetb*( c1*e_1_1_0 &
54895 
54896 
54897  )
54898  e_0_3_0 = zeta*( &
54899  +c2*e_0_2_0&
54900  +2*e_1_2_0 &
54901  -4*e_0_1_0)
54902  e_0_2_1 = zetb*( &
54903  +c3*e_0_2_0&
54904  +2*e_1_2_0 &
54905  )
54906  e_1_3_0 = zeta*( c1*e_0_2_0 &
54907  +c2*e_1_2_0&
54908  +4*e_2_2_0 &
54909  -4*e_1_1_0)
54910  e_1_2_1 = zetb*( c1*e_0_2_0 &
54911  +c3*e_1_2_0&
54912  +4*e_2_2_0 &
54913  )
54914  e_2_3_0 = zeta*( c1*e_1_2_0 &
54915  +c2*e_2_2_0&
54916 
54917  )
54918  e_2_2_1 = zetb*( c1*e_1_2_0 &
54919  +c3*e_2_2_0&
54920 
54921  )
54922  e_3_3_0 = zeta*( c1*e_2_2_0 &
54923 
54924 
54925  )
54926  e_3_2_1 = zetb*( c1*e_2_2_0 &
54927 
54928 
54929  )
54930  e_0_4_0 = zeta*( &
54931  +c2*e_0_3_0&
54932  +2*e_1_3_0 &
54933  -6*e_0_2_0)
54934  e_0_3_1 = zetb*( &
54935  +c3*e_0_3_0&
54936  +2*e_1_3_0 &
54937  )
54938  e_1_4_0 = zeta*( c1*e_0_3_0 &
54939  +c2*e_1_3_0&
54940  +4*e_2_3_0 &
54941  -6*e_1_2_0)
54942  e_1_3_1 = zetb*( c1*e_0_3_0 &
54943  +c3*e_1_3_0&
54944  +4*e_2_3_0 &
54945  )
54946  e_2_4_0 = zeta*( c1*e_1_3_0 &
54947  +c2*e_2_3_0&
54948  +6*e_3_3_0 &
54949  -6*e_2_2_0)
54950  e_2_3_1 = zetb*( c1*e_1_3_0 &
54951  +c3*e_2_3_0&
54952  +6*e_3_3_0 &
54953  )
54954  e_3_4_0 = zeta*( c1*e_2_3_0 &
54955  +c2*e_3_3_0&
54956 
54957  )
54958  e_3_3_1 = zetb*( c1*e_2_3_0 &
54959  +c3*e_3_3_0&
54960 
54961  )
54962  e_4_4_0 = zeta*( c1*e_3_3_0 &
54963 
54964 
54965  )
54966  e_4_3_1 = zetb*( c1*e_3_3_0 &
54967 
54968 
54969  )
54970  e_0_4_1 = zetb*( &
54971  +c3*e_0_4_0&
54972  +2*e_1_4_0 &
54973  )
54974  e_1_4_1 = zetb*( c1*e_0_4_0 &
54975  +c3*e_1_4_0&
54976  +4*e_2_4_0 &
54977  )
54978  e_2_4_1 = zetb*( c1*e_1_4_0 &
54979  +c3*e_2_4_0&
54980  +6*e_3_4_0 &
54981  )
54982  e_3_4_1 = zetb*( c1*e_2_4_0 &
54983  +c3*e_3_4_0&
54984  +8*e_4_4_0 &
54985  )
54986  e_4_4_1 = zetb*( c1*e_3_4_0 &
54987  +c3*e_4_4_0&
54988 
54989  )
54990  e_5_4_1 = zetb*( c1*e_4_4_0 &
54991 
54992 
54993  )
54994  e_0_1_1 = zeta*( &
54995  +c2*e_0_0_1&
54996  +2*e_1_0_1 &
54997  )
54998  e_0_0_2 = zetb*( &
54999  +c3*e_0_0_1&
55000  +2*e_1_0_1 &
55001  -2*e_0_0_0)
55002  e_1_1_1 = zeta*( c1*e_0_0_1 &
55003  +c2*e_1_0_1&
55004 
55005  )
55006  e_1_0_2 = zetb*( c1*e_0_0_1 &
55007  +c3*e_1_0_1&
55008 
55009  )
55010  e_2_1_1 = zeta*( c1*e_1_0_1 &
55011 
55012 
55013  )
55014  e_2_0_2 = zetb*( c1*e_1_0_1 &
55015 
55016 
55017  )
55018  e_0_2_1 = zeta*( &
55019  +c2*e_0_1_1&
55020  +2*e_1_1_1 &
55021  -2*e_0_0_1)
55022  e_0_1_2 = zetb*( &
55023  +c3*e_0_1_1&
55024  +2*e_1_1_1 &
55025  -2*e_0_1_0)
55026  e_1_2_1 = zeta*( c1*e_0_1_1 &
55027  +c2*e_1_1_1&
55028  +4*e_2_1_1 &
55029  -2*e_1_0_1)
55030  e_1_1_2 = zetb*( c1*e_0_1_1 &
55031  +c3*e_1_1_1&
55032  +4*e_2_1_1 &
55033  -2*e_1_1_0)
55034  e_2_2_1 = zeta*( c1*e_1_1_1 &
55035  +c2*e_2_1_1&
55036 
55037  )
55038  e_2_1_2 = zetb*( c1*e_1_1_1 &
55039  +c3*e_2_1_1&
55040 
55041  )
55042  e_3_2_1 = zeta*( c1*e_2_1_1 &
55043 
55044 
55045  )
55046  e_3_1_2 = zetb*( c1*e_2_1_1 &
55047 
55048 
55049  )
55050  e_0_3_1 = zeta*( &
55051  +c2*e_0_2_1&
55052  +2*e_1_2_1 &
55053  -4*e_0_1_1)
55054  e_0_2_2 = zetb*( &
55055  +c3*e_0_2_1&
55056  +2*e_1_2_1 &
55057  -2*e_0_2_0)
55058  e_1_3_1 = zeta*( c1*e_0_2_1 &
55059  +c2*e_1_2_1&
55060  +4*e_2_2_1 &
55061  -4*e_1_1_1)
55062  e_1_2_2 = zetb*( c1*e_0_2_1 &
55063  +c3*e_1_2_1&
55064  +4*e_2_2_1 &
55065  -2*e_1_2_0)
55066  e_2_3_1 = zeta*( c1*e_1_2_1 &
55067  +c2*e_2_2_1&
55068  +6*e_3_2_1 &
55069  -4*e_2_1_1)
55070  e_2_2_2 = zetb*( c1*e_1_2_1 &
55071  +c3*e_2_2_1&
55072  +6*e_3_2_1 &
55073  -2*e_2_2_0)
55074  e_3_3_1 = zeta*( c1*e_2_2_1 &
55075  +c2*e_3_2_1&
55076 
55077  )
55078  e_3_2_2 = zetb*( c1*e_2_2_1 &
55079  +c3*e_3_2_1&
55080 
55081  )
55082  e_4_3_1 = zeta*( c1*e_3_2_1 &
55083 
55084 
55085  )
55086  e_4_2_2 = zetb*( c1*e_3_2_1 &
55087 
55088 
55089  )
55090  e_0_4_1 = zeta*( &
55091  +c2*e_0_3_1&
55092  +2*e_1_3_1 &
55093  -6*e_0_2_1)
55094  e_0_3_2 = zetb*( &
55095  +c3*e_0_3_1&
55096  +2*e_1_3_1 &
55097  -2*e_0_3_0)
55098  e_1_4_1 = zeta*( c1*e_0_3_1 &
55099  +c2*e_1_3_1&
55100  +4*e_2_3_1 &
55101  -6*e_1_2_1)
55102  e_1_3_2 = zetb*( c1*e_0_3_1 &
55103  +c3*e_1_3_1&
55104  +4*e_2_3_1 &
55105  -2*e_1_3_0)
55106  e_2_4_1 = zeta*( c1*e_1_3_1 &
55107  +c2*e_2_3_1&
55108  +6*e_3_3_1 &
55109  -6*e_2_2_1)
55110  e_2_3_2 = zetb*( c1*e_1_3_1 &
55111  +c3*e_2_3_1&
55112  +6*e_3_3_1 &
55113  -2*e_2_3_0)
55114  e_3_4_1 = zeta*( c1*e_2_3_1 &
55115  +c2*e_3_3_1&
55116  +8*e_4_3_1 &
55117  -6*e_3_2_1)
55118  e_3_3_2 = zetb*( c1*e_2_3_1 &
55119  +c3*e_3_3_1&
55120  +8*e_4_3_1 &
55121  -2*e_3_3_0)
55122  e_4_4_1 = zeta*( c1*e_3_3_1 &
55123  +c2*e_4_3_1&
55124 
55125  )
55126  e_4_3_2 = zetb*( c1*e_3_3_1 &
55127  +c3*e_4_3_1&
55128 
55129  )
55130  e_5_4_1 = zeta*( c1*e_4_3_1 &
55131 
55132 
55133  )
55134  e_5_3_2 = zetb*( c1*e_4_3_1 &
55135 
55136 
55137  )
55138  e_0_4_2 = zetb*( &
55139  +c3*e_0_4_1&
55140  +2*e_1_4_1 &
55141  -2*e_0_4_0)
55142  e_1_4_2 = zetb*( c1*e_0_4_1 &
55143  +c3*e_1_4_1&
55144  +4*e_2_4_1 &
55145  -2*e_1_4_0)
55146  e_2_4_2 = zetb*( c1*e_1_4_1 &
55147  +c3*e_2_4_1&
55148  +6*e_3_4_1 &
55149  -2*e_2_4_0)
55150  e_3_4_2 = zetb*( c1*e_2_4_1 &
55151  +c3*e_3_4_1&
55152  +8*e_4_4_1 &
55153  -2*e_3_4_0)
55154  e_4_4_2 = zetb*( c1*e_3_4_1 &
55155  +c3*e_4_4_1&
55156  +10*e_5_4_1 &
55157  -2*e_4_4_0)
55158  e_5_4_2 = zetb*( c1*e_4_4_1 &
55159  +c3*e_5_4_1&
55160 
55161  )
55162  e_6_4_2 = zetb*( c1*e_5_4_1 &
55163 
55164 
55165  )
55166  e_0_1_2 = zeta*( &
55167  +c2*e_0_0_2&
55168  +2*e_1_0_2 &
55169  )
55170  e_0_0_3 = zetb*( &
55171  +c3*e_0_0_2&
55172  +2*e_1_0_2 &
55173  -4*e_0_0_1)
55174  e_1_1_2 = zeta*( c1*e_0_0_2 &
55175  +c2*e_1_0_2&
55176  +4*e_2_0_2 &
55177  )
55178  e_1_0_3 = zetb*( c1*e_0_0_2 &
55179  +c3*e_1_0_2&
55180  +4*e_2_0_2 &
55181  -4*e_1_0_1)
55182  e_2_1_2 = zeta*( c1*e_1_0_2 &
55183  +c2*e_2_0_2&
55184 
55185  )
55186  e_2_0_3 = zetb*( c1*e_1_0_2 &
55187  +c3*e_2_0_2&
55188 
55189  )
55190  e_3_1_2 = zeta*( c1*e_2_0_2 &
55191 
55192 
55193  )
55194  e_3_0_3 = zetb*( c1*e_2_0_2 &
55195 
55196 
55197  )
55198  e_0_2_2 = zeta*( &
55199  +c2*e_0_1_2&
55200  +2*e_1_1_2 &
55201  -2*e_0_0_2)
55202  e_0_1_3 = zetb*( &
55203  +c3*e_0_1_2&
55204  +2*e_1_1_2 &
55205  -4*e_0_1_1)
55206  e_1_2_2 = zeta*( c1*e_0_1_2 &
55207  +c2*e_1_1_2&
55208  +4*e_2_1_2 &
55209  -2*e_1_0_2)
55210  e_1_1_3 = zetb*( c1*e_0_1_2 &
55211  +c3*e_1_1_2&
55212  +4*e_2_1_2 &
55213  -4*e_1_1_1)
55214  e_2_2_2 = zeta*( c1*e_1_1_2 &
55215  +c2*e_2_1_2&
55216  +6*e_3_1_2 &
55217  -2*e_2_0_2)
55218  e_2_1_3 = zetb*( c1*e_1_1_2 &
55219  +c3*e_2_1_2&
55220  +6*e_3_1_2 &
55221  -4*e_2_1_1)
55222  e_3_2_2 = zeta*( c1*e_2_1_2 &
55223  +c2*e_3_1_2&
55224 
55225  )
55226  e_3_1_3 = zetb*( c1*e_2_1_2 &
55227  +c3*e_3_1_2&
55228 
55229  )
55230  e_4_2_2 = zeta*( c1*e_3_1_2 &
55231 
55232 
55233  )
55234  e_4_1_3 = zetb*( c1*e_3_1_2 &
55235 
55236 
55237  )
55238  e_0_3_2 = zeta*( &
55239  +c2*e_0_2_2&
55240  +2*e_1_2_2 &
55241  -4*e_0_1_2)
55242  e_0_2_3 = zetb*( &
55243  +c3*e_0_2_2&
55244  +2*e_1_2_2 &
55245  -4*e_0_2_1)
55246  e_1_3_2 = zeta*( c1*e_0_2_2 &
55247  +c2*e_1_2_2&
55248  +4*e_2_2_2 &
55249  -4*e_1_1_2)
55250  e_1_2_3 = zetb*( c1*e_0_2_2 &
55251  +c3*e_1_2_2&
55252  +4*e_2_2_2 &
55253  -4*e_1_2_1)
55254  e_2_3_2 = zeta*( c1*e_1_2_2 &
55255  +c2*e_2_2_2&
55256  +6*e_3_2_2 &
55257  -4*e_2_1_2)
55258  e_2_2_3 = zetb*( c1*e_1_2_2 &
55259  +c3*e_2_2_2&
55260  +6*e_3_2_2 &
55261  -4*e_2_2_1)
55262  e_3_3_2 = zeta*( c1*e_2_2_2 &
55263  +c2*e_3_2_2&
55264  +8*e_4_2_2 &
55265  -4*e_3_1_2)
55266  e_3_2_3 = zetb*( c1*e_2_2_2 &
55267  +c3*e_3_2_2&
55268  +8*e_4_2_2 &
55269  -4*e_3_2_1)
55270  e_4_3_2 = zeta*( c1*e_3_2_2 &
55271  +c2*e_4_2_2&
55272 
55273  )
55274  e_4_2_3 = zetb*( c1*e_3_2_2 &
55275  +c3*e_4_2_2&
55276 
55277  )
55278  e_5_3_2 = zeta*( c1*e_4_2_2 &
55279 
55280 
55281  )
55282  e_5_2_3 = zetb*( c1*e_4_2_2 &
55283 
55284 
55285  )
55286  e_0_4_2 = zeta*( &
55287  +c2*e_0_3_2&
55288  +2*e_1_3_2 &
55289  -6*e_0_2_2)
55290  e_0_3_3 = zetb*( &
55291  +c3*e_0_3_2&
55292  +2*e_1_3_2 &
55293  -4*e_0_3_1)
55294  e_1_4_2 = zeta*( c1*e_0_3_2 &
55295  +c2*e_1_3_2&
55296  +4*e_2_3_2 &
55297  -6*e_1_2_2)
55298  e_1_3_3 = zetb*( c1*e_0_3_2 &
55299  +c3*e_1_3_2&
55300  +4*e_2_3_2 &
55301  -4*e_1_3_1)
55302  e_2_4_2 = zeta*( c1*e_1_3_2 &
55303  +c2*e_2_3_2&
55304  +6*e_3_3_2 &
55305  -6*e_2_2_2)
55306  e_2_3_3 = zetb*( c1*e_1_3_2 &
55307  +c3*e_2_3_2&
55308  +6*e_3_3_2 &
55309  -4*e_2_3_1)
55310  e_3_4_2 = zeta*( c1*e_2_3_2 &
55311  +c2*e_3_3_2&
55312  +8*e_4_3_2 &
55313  -6*e_3_2_2)
55314  e_3_3_3 = zetb*( c1*e_2_3_2 &
55315  +c3*e_3_3_2&
55316  +8*e_4_3_2 &
55317  -4*e_3_3_1)
55318  e_4_4_2 = zeta*( c1*e_3_3_2 &
55319  +c2*e_4_3_2&
55320  +10*e_5_3_2 &
55321  -6*e_4_2_2)
55322  e_4_3_3 = zetb*( c1*e_3_3_2 &
55323  +c3*e_4_3_2&
55324  +10*e_5_3_2 &
55325  -4*e_4_3_1)
55326  e_5_4_2 = zeta*( c1*e_4_3_2 &
55327  +c2*e_5_3_2&
55328 
55329  )
55330  e_5_3_3 = zetb*( c1*e_4_3_2 &
55331  +c3*e_5_3_2&
55332 
55333  )
55334  e_6_4_2 = zeta*( c1*e_5_3_2 &
55335 
55336 
55337  )
55338  e_6_3_3 = zetb*( c1*e_5_3_2 &
55339 
55340 
55341  )
55342  e_0_4_3 = zetb*( &
55343  +c3*e_0_4_2&
55344  +2*e_1_4_2 &
55345  -4*e_0_4_1)
55346  e_1_4_3 = zetb*( c1*e_0_4_2 &
55347  +c3*e_1_4_2&
55348  +4*e_2_4_2 &
55349  -4*e_1_4_1)
55350  e_2_4_3 = zetb*( c1*e_1_4_2 &
55351  +c3*e_2_4_2&
55352  +6*e_3_4_2 &
55353  -4*e_2_4_1)
55354  e_3_4_3 = zetb*( c1*e_2_4_2 &
55355  +c3*e_3_4_2&
55356  +8*e_4_4_2 &
55357  -4*e_3_4_1)
55358  e_4_4_3 = zetb*( c1*e_3_4_2 &
55359  +c3*e_4_4_2&
55360  +10*e_5_4_2 &
55361  -4*e_4_4_1)
55362  e_5_4_3 = zetb*( c1*e_4_4_2 &
55363  +c3*e_5_4_2&
55364  +12*e_6_4_2 &
55365  -4*e_5_4_1)
55366  e_6_4_3 = zetb*( c1*e_5_4_2 &
55367  +c3*e_6_4_2&
55368 
55369  )
55370  e_7_4_3 = zetb*( c1*e_6_4_2 &
55371 
55372 
55373  )
55374  e_0_1_3 = zeta*( &
55375  +c2*e_0_0_3&
55376  +2*e_1_0_3 &
55377  )
55378  e_0_0_4 = zetb*( &
55379  +c3*e_0_0_3&
55380  +2*e_1_0_3 &
55381  -6*e_0_0_2)
55382  e_1_1_3 = zeta*( c1*e_0_0_3 &
55383  +c2*e_1_0_3&
55384  +4*e_2_0_3 &
55385  )
55386  e_1_0_4 = zetb*( c1*e_0_0_3 &
55387  +c3*e_1_0_3&
55388  +4*e_2_0_3 &
55389  -6*e_1_0_2)
55390  e_2_1_3 = zeta*( c1*e_1_0_3 &
55391  +c2*e_2_0_3&
55392  +6*e_3_0_3 &
55393  )
55394  e_2_0_4 = zetb*( c1*e_1_0_3 &
55395  +c3*e_2_0_3&
55396  +6*e_3_0_3 &
55397  -6*e_2_0_2)
55398  e_3_1_3 = zeta*( c1*e_2_0_3 &
55399  +c2*e_3_0_3&
55400 
55401  )
55402  e_3_0_4 = zetb*( c1*e_2_0_3 &
55403  +c3*e_3_0_3&
55404 
55405  )
55406  e_4_1_3 = zeta*( c1*e_3_0_3 &
55407 
55408 
55409  )
55410  e_4_0_4 = zetb*( c1*e_3_0_3 &
55411 
55412 
55413  )
55414  e_0_2_3 = zeta*( &
55415  +c2*e_0_1_3&
55416  +2*e_1_1_3 &
55417  -2*e_0_0_3)
55418  e_0_1_4 = zetb*( &
55419  +c3*e_0_1_3&
55420  +2*e_1_1_3 &
55421  -6*e_0_1_2)
55422  e_1_2_3 = zeta*( c1*e_0_1_3 &
55423  +c2*e_1_1_3&
55424  +4*e_2_1_3 &
55425  -2*e_1_0_3)
55426  e_1_1_4 = zetb*( c1*e_0_1_3 &
55427  +c3*e_1_1_3&
55428  +4*e_2_1_3 &
55429  -6*e_1_1_2)
55430  e_2_2_3 = zeta*( c1*e_1_1_3 &
55431  +c2*e_2_1_3&
55432  +6*e_3_1_3 &
55433  -2*e_2_0_3)
55434  e_2_1_4 = zetb*( c1*e_1_1_3 &
55435  +c3*e_2_1_3&
55436  +6*e_3_1_3 &
55437  -6*e_2_1_2)
55438  e_3_2_3 = zeta*( c1*e_2_1_3 &
55439  +c2*e_3_1_3&
55440  +8*e_4_1_3 &
55441  -2*e_3_0_3)
55442  e_3_1_4 = zetb*( c1*e_2_1_3 &
55443  +c3*e_3_1_3&
55444  +8*e_4_1_3 &
55445  -6*e_3_1_2)
55446  e_4_2_3 = zeta*( c1*e_3_1_3 &
55447  +c2*e_4_1_3&
55448 
55449  )
55450  e_4_1_4 = zetb*( c1*e_3_1_3 &
55451  +c3*e_4_1_3&
55452 
55453  )
55454  e_5_2_3 = zeta*( c1*e_4_1_3 &
55455 
55456 
55457  )
55458  e_5_1_4 = zetb*( c1*e_4_1_3 &
55459 
55460 
55461  )
55462  e_0_3_3 = zeta*( &
55463  +c2*e_0_2_3&
55464  +2*e_1_2_3 &
55465  -4*e_0_1_3)
55466  e_0_2_4 = zetb*( &
55467  +c3*e_0_2_3&
55468  +2*e_1_2_3 &
55469  -6*e_0_2_2)
55470  e_1_3_3 = zeta*( c1*e_0_2_3 &
55471  +c2*e_1_2_3&
55472  +4*e_2_2_3 &
55473  -4*e_1_1_3)
55474  e_1_2_4 = zetb*( c1*e_0_2_3 &
55475  +c3*e_1_2_3&
55476  +4*e_2_2_3 &
55477  -6*e_1_2_2)
55478  e_2_3_3 = zeta*( c1*e_1_2_3 &
55479  +c2*e_2_2_3&
55480  +6*e_3_2_3 &
55481  -4*e_2_1_3)
55482  e_2_2_4 = zetb*( c1*e_1_2_3 &
55483  +c3*e_2_2_3&
55484  +6*e_3_2_3 &
55485  -6*e_2_2_2)
55486  e_3_3_3 = zeta*( c1*e_2_2_3 &
55487  +c2*e_3_2_3&
55488  +8*e_4_2_3 &
55489  -4*e_3_1_3)
55490  e_3_2_4 = zetb*( c1*e_2_2_3 &
55491  +c3*e_3_2_3&
55492  +8*e_4_2_3 &
55493  -6*e_3_2_2)
55494  e_4_3_3 = zeta*( c1*e_3_2_3 &
55495  +c2*e_4_2_3&
55496  +10*e_5_2_3 &
55497  -4*e_4_1_3)
55498  e_4_2_4 = zetb*( c1*e_3_2_3 &
55499  +c3*e_4_2_3&
55500  +10*e_5_2_3 &
55501  -6*e_4_2_2)
55502  e_5_3_3 = zeta*( c1*e_4_2_3 &
55503  +c2*e_5_2_3&
55504 
55505  )
55506  e_5_2_4 = zetb*( c1*e_4_2_3 &
55507  +c3*e_5_2_3&
55508 
55509  )
55510  e_6_3_3 = zeta*( c1*e_5_2_3 &
55511 
55512 
55513  )
55514  e_6_2_4 = zetb*( c1*e_5_2_3 &
55515 
55516 
55517  )
55518  e_0_4_3 = zeta*( &
55519  +c2*e_0_3_3&
55520  +2*e_1_3_3 &
55521  -6*e_0_2_3)
55522  e_0_3_4 = zetb*( &
55523  +c3*e_0_3_3&
55524  +2*e_1_3_3 &
55525  -6*e_0_3_2)
55526  e_1_4_3 = zeta*( c1*e_0_3_3 &
55527  +c2*e_1_3_3&
55528  +4*e_2_3_3 &
55529  -6*e_1_2_3)
55530  e_1_3_4 = zetb*( c1*e_0_3_3 &
55531  +c3*e_1_3_3&
55532  +4*e_2_3_3 &
55533  -6*e_1_3_2)
55534  e_2_4_3 = zeta*( c1*e_1_3_3 &
55535  +c2*e_2_3_3&
55536  +6*e_3_3_3 &
55537  -6*e_2_2_3)
55538  e_2_3_4 = zetb*( c1*e_1_3_3 &
55539  +c3*e_2_3_3&
55540  +6*e_3_3_3 &
55541  -6*e_2_3_2)
55542  e_3_4_3 = zeta*( c1*e_2_3_3 &
55543  +c2*e_3_3_3&
55544  +8*e_4_3_3 &
55545  -6*e_3_2_3)
55546  e_3_3_4 = zetb*( c1*e_2_3_3 &
55547  +c3*e_3_3_3&
55548  +8*e_4_3_3 &
55549  -6*e_3_3_2)
55550  e_4_4_3 = zeta*( c1*e_3_3_3 &
55551  +c2*e_4_3_3&
55552  +10*e_5_3_3 &
55553  -6*e_4_2_3)
55554  e_4_3_4 = zetb*( c1*e_3_3_3 &
55555  +c3*e_4_3_3&
55556  +10*e_5_3_3 &
55557  -6*e_4_3_2)
55558  e_5_4_3 = zeta*( c1*e_4_3_3 &
55559  +c2*e_5_3_3&
55560  +12*e_6_3_3 &
55561  -6*e_5_2_3)
55562  e_5_3_4 = zetb*( c1*e_4_3_3 &
55563  +c3*e_5_3_3&
55564  +12*e_6_3_3 &
55565  -6*e_5_3_2)
55566  e_6_4_3 = zeta*( c1*e_5_3_3 &
55567  +c2*e_6_3_3&
55568 
55569  )
55570  e_6_3_4 = zetb*( c1*e_5_3_3 &
55571  +c3*e_6_3_3&
55572 
55573  )
55574  e_7_4_3 = zeta*( c1*e_6_3_3 &
55575 
55576 
55577  )
55578  e_7_3_4 = zetb*( c1*e_6_3_3 &
55579 
55580 
55581  )
55582  e_0_4_4 = zetb*( &
55583  +c3*e_0_4_3&
55584  +2*e_1_4_3 &
55585  -6*e_0_4_2)
55586  e_1_4_4 = zetb*( c1*e_0_4_3 &
55587  +c3*e_1_4_3&
55588  +4*e_2_4_3 &
55589  -6*e_1_4_2)
55590  e_2_4_4 = zetb*( c1*e_1_4_3 &
55591  +c3*e_2_4_3&
55592  +6*e_3_4_3 &
55593  -6*e_2_4_2)
55594  e_3_4_4 = zetb*( c1*e_2_4_3 &
55595  +c3*e_3_4_3&
55596  +8*e_4_4_3 &
55597  -6*e_3_4_2)
55598  e_4_4_4 = zetb*( c1*e_3_4_3 &
55599  +c3*e_4_4_3&
55600  +10*e_5_4_3 &
55601  -6*e_4_4_2)
55602  e_5_4_4 = zetb*( c1*e_4_4_3 &
55603  +c3*e_5_4_3&
55604  +12*e_6_4_3 &
55605  -6*e_5_4_2)
55606  e_6_4_4 = zetb*( c1*e_5_4_3 &
55607  +c3*e_6_4_3&
55608  +14*e_7_4_3 &
55609  -6*e_6_4_2)
55610  e_7_4_4 = zetb*( c1*e_6_4_3 &
55611  +c3*e_7_4_3&
55612 
55613  )
55614  e_8_4_4 = zetb*( c1*e_7_4_3 &
55615 
55616 
55617  )
55618  e_0_1_4 = zeta*( &
55619  +c2*e_0_0_4&
55620  +2*e_1_0_4 &
55621  )
55622  e_1_1_4 = zeta*( c1*e_0_0_4 &
55623  +c2*e_1_0_4&
55624  +4*e_2_0_4 &
55625  )
55626  e_2_1_4 = zeta*( c1*e_1_0_4 &
55627  +c2*e_2_0_4&
55628  +6*e_3_0_4 &
55629  )
55630  e_3_1_4 = zeta*( c1*e_2_0_4 &
55631  +c2*e_3_0_4&
55632  +8*e_4_0_4 &
55633  )
55634  e_4_1_4 = zeta*( c1*e_3_0_4 &
55635  +c2*e_4_0_4&
55636 
55637  )
55638  e_5_1_4 = zeta*( c1*e_4_0_4 &
55639 
55640 
55641  )
55642  e_0_2_4 = zeta*( &
55643  +c2*e_0_1_4&
55644  +2*e_1_1_4 &
55645  -2*e_0_0_4)
55646  e_1_2_4 = zeta*( c1*e_0_1_4 &
55647  +c2*e_1_1_4&
55648  +4*e_2_1_4 &
55649  -2*e_1_0_4)
55650  e_2_2_4 = zeta*( c1*e_1_1_4 &
55651  +c2*e_2_1_4&
55652  +6*e_3_1_4 &
55653  -2*e_2_0_4)
55654  e_3_2_4 = zeta*( c1*e_2_1_4 &
55655  +c2*e_3_1_4&
55656  +8*e_4_1_4 &
55657  -2*e_3_0_4)
55658  e_4_2_4 = zeta*( c1*e_3_1_4 &
55659  +c2*e_4_1_4&
55660  +10*e_5_1_4 &
55661  -2*e_4_0_4)
55662  e_5_2_4 = zeta*( c1*e_4_1_4 &
55663  +c2*e_5_1_4&
55664 
55665  )
55666  e_6_2_4 = zeta*( c1*e_5_1_4 &
55667 
55668 
55669  )
55670  e_0_3_4 = zeta*( &
55671  +c2*e_0_2_4&
55672  +2*e_1_2_4 &
55673  -4*e_0_1_4)
55674  e_1_3_4 = zeta*( c1*e_0_2_4 &
55675  +c2*e_1_2_4&
55676  +4*e_2_2_4 &
55677  -4*e_1_1_4)
55678  e_2_3_4 = zeta*( c1*e_1_2_4 &
55679  +c2*e_2_2_4&
55680  +6*e_3_2_4 &
55681  -4*e_2_1_4)
55682  e_3_3_4 = zeta*( c1*e_2_2_4 &
55683  +c2*e_3_2_4&
55684  +8*e_4_2_4 &
55685  -4*e_3_1_4)
55686  e_4_3_4 = zeta*( c1*e_3_2_4 &
55687  +c2*e_4_2_4&
55688  +10*e_5_2_4 &
55689  -4*e_4_1_4)
55690  e_5_3_4 = zeta*( c1*e_4_2_4 &
55691  +c2*e_5_2_4&
55692  +12*e_6_2_4 &
55693  -4*e_5_1_4)
55694  e_6_3_4 = zeta*( c1*e_5_2_4 &
55695  +c2*e_6_2_4&
55696 
55697  )
55698  e_7_3_4 = zeta*( c1*e_6_2_4 &
55699 
55700 
55701  )
55702  e_0_4_4 = zeta*( &
55703  +c2*e_0_3_4&
55704  +2*e_1_3_4 &
55705  -6*e_0_2_4)
55706  e_1_4_4 = zeta*( c1*e_0_3_4 &
55707  +c2*e_1_3_4&
55708  +4*e_2_3_4 &
55709  -6*e_1_2_4)
55710  e_2_4_4 = zeta*( c1*e_1_3_4 &
55711  +c2*e_2_3_4&
55712  +6*e_3_3_4 &
55713  -6*e_2_2_4)
55714  e_3_4_4 = zeta*( c1*e_2_3_4 &
55715  +c2*e_3_3_4&
55716  +8*e_4_3_4 &
55717  -6*e_3_2_4)
55718  e_4_4_4 = zeta*( c1*e_3_3_4 &
55719  +c2*e_4_3_4&
55720  +10*e_5_3_4 &
55721  -6*e_4_2_4)
55722  e_5_4_4 = zeta*( c1*e_4_3_4 &
55723  +c2*e_5_3_4&
55724  +12*e_6_3_4 &
55725  -6*e_5_2_4)
55726  e_6_4_4 = zeta*( c1*e_5_3_4 &
55727  +c2*e_6_3_4&
55728  +14*e_7_3_4 &
55729  -6*e_6_2_4)
55730  e_7_4_4 = zeta*( c1*e_6_3_4 &
55731  +c2*e_7_3_4&
55732 
55733  )
55734  e_8_4_4 = zeta*( c1*e_7_3_4 &
55735 
55736 
55737  )
55738 
55739  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
55740  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
55741  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
55742  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
55743  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
55744  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
55745  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
55746  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
55747  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
55748  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
55749  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
55750  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
55751  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
55752  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
55753  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
55754  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
55755  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
55756  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
55757  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
55758  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
55759  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
55760  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
55761  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
55762  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
55763  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
55764  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
55765  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
55766  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
55767  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
55768  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
55769  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
55770  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
55771  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
55772  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
55773  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
55774  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
55775  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
55776  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
55777  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
55778  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
55779  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
55780  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
55781  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
55782  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
55783  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
55784  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
55785  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
55786  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
55787  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
55788  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
55789  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
55790  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
55791  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
55792  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
55793  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
55794  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
55795  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
55796  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
55797  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
55798  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
55799  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
55800  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
55801  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
55802  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
55803  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
55804  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
55805  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
55806  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
55807  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
55808  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
55809  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
55810  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
55811  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
55812  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
55813  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
55814  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
55815  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
55816  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
55817  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
55818  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
55819  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
55820  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
55821  s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
55822  s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
55823  s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
55824  s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
55825  s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
55826  s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
55827  s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
55828  s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
55829  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
55830  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
55831  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
55832  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
55833  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
55834  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
55835  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
55836  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
55837  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
55838  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
55839  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
55840  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
55841  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
55842  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
55843  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
55844  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
55845  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
55846  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
55847  s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
55848  s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
55849  s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
55850  s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
55851  s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
55852  s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
55853  s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
55854  s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
55855  s_r(4, 4, 0) = s_r(4, 4, 0) + e_0_4_4*(1)*s_r_t2_0 ! cost: 5 flops
55856  s_r(4, 4, 0) = s_r(4, 4, 0) + e_1_4_4*(1)*s_r_t2_1 ! cost: 5 flops
55857  s_r(4, 4, 0) = s_r(4, 4, 0) + e_2_4_4*(1)*s_r_t2_2 ! cost: 5 flops
55858  s_r(4, 4, 0) = s_r(4, 4, 0) + e_3_4_4*(1)*s_r_t2_3 ! cost: 5 flops
55859  s_r(4, 4, 0) = s_r(4, 4, 0) + e_4_4_4*(1)*s_r_t2_4 ! cost: 5 flops
55860  s_r(4, 4, 0) = s_r(4, 4, 0) + e_5_4_4*(1)*s_r_t2_5 ! cost: 5 flops
55861  s_r(4, 4, 0) = s_r(4, 4, 0) + e_6_4_4*(1)*s_r_t2_6 ! cost: 5 flops
55862  s_r(4, 4, 0) = s_r(4, 4, 0) + e_7_4_4*(1)*s_r_t2_7 ! cost: 5 flops
55863  s_r(4, 4, 0) = s_r(4, 4, 0) + e_8_4_4*(1)*s_r_t2_8 ! cost: 5 flops
55864  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
55865  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
55866  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
55867  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
55868  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
55869  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
55870  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
55871  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
55872  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
55873  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
55874  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
55875  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
55876  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
55877  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
55878  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
55879  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
55880  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
55881  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
55882  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
55883  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
55884  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
55885  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
55886  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
55887  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
55888  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
55889  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
55890  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
55891  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
55892  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
55893  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
55894  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
55895  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
55896  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
55897  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
55898  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
55899  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
55900  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
55901  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
55902  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
55903  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
55904  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
55905  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
55906  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
55907  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
55908  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
55909  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
55910  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
55911  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
55912  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
55913  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
55914  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
55915  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
55916  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
55917  s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
55918  s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
55919  s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
55920  s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
55921  s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
55922  s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
55923  s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
55924  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
55925  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
55926  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
55927  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
55928  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
55929  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
55930  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
55931  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
55932  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
55933  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
55934  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
55935  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
55936  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
55937  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
55938  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
55939  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
55940  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
55941  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
55942  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
55943  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
55944  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
55945  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
55946  s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
55947  s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
55948  s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
55949  s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
55950  s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
55951  s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
55952  s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
55953  s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
55954  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
55955  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
55956  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
55957  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
55958  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
55959  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
55960  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
55961  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
55962  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
55963  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
55964  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
55965  s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
55966  s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
55967  s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
55968  s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
55969  s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
55970  s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
55971  s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
55972  s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
55973  s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
55974  s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
55975  s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
55976  s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
55977  s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
55978  s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
55979  s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
55980  s_r(4, 4, 1) = s_r(4, 4, 1) + e_0_4_4*(-1)*s_r_t2_1 ! cost: 5 flops
55981  s_r(4, 4, 1) = s_r(4, 4, 1) + e_1_4_4*(-1)*s_r_t2_2 ! cost: 5 flops
55982  s_r(4, 4, 1) = s_r(4, 4, 1) + e_2_4_4*(-1)*s_r_t2_3 ! cost: 5 flops
55983  s_r(4, 4, 1) = s_r(4, 4, 1) + e_3_4_4*(-1)*s_r_t2_4 ! cost: 5 flops
55984  s_r(4, 4, 1) = s_r(4, 4, 1) + e_4_4_4*(-1)*s_r_t2_5 ! cost: 5 flops
55985  s_r(4, 4, 1) = s_r(4, 4, 1) + e_5_4_4*(-1)*s_r_t2_6 ! cost: 5 flops
55986  s_r(4, 4, 1) = s_r(4, 4, 1) + e_6_4_4*(-1)*s_r_t2_7 ! cost: 5 flops
55987  s_r(4, 4, 1) = s_r(4, 4, 1) + e_7_4_4*(-1)*s_r_t2_8 ! cost: 5 flops
55988  s_r(4, 4, 1) = s_r(4, 4, 1) + e_8_4_4*(-1)*s_r_t2_9 ! cost: 5 flops
55989  r1 = r1 + dr
55990  END DO
55991 
55992  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
55993  END SUBROUTINE
55994  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_4_2_exp_0 ( &
55995  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
55996  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
55997  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
55998  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
55999  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
56000  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
56001  r_pow_t, r_tmp, rr1_delta, rr2_delta
56002 
56003  REAL(kind=dp) :: c1, c2, c3
56004  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
56005  & s_r_t_10
56006  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
56007  & s_r_t2_9, s_r_t2_10
56008  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
56009  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
56010  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
56011  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
56012  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
56013  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
56014  & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10
56015  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
56016  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
56017  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
56018  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
56019  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
56020  & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
56021  & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3,&
56022  & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
56023  & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4,&
56024  & e_0_4_4, e_1_4_4, e_2_4_4, e_3_4_4, e_4_4_4, e_5_4_4, e_6_4_4, e_7_4_4, e_8_4_4
56025 
56026 
56027  dr = lgth
56028  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
56029 
56030  s_r(:, :, :) = 0.0_dp
56031 
56032  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
56033 
56034  h_to_c_0_0 = sqrt(alpha/pi)
56035 
56036  h_to_c_0_1 = 0.0_dp
56037  h_to_c_1_1 = +2*alpha*h_to_c_0_0
56038  h_to_c_0_2 = -1*h_to_c_1_1
56039  h_to_c_1_2 = +2*alpha*h_to_c_0_1
56040  h_to_c_2_2 = +2*alpha*h_to_c_1_1
56041  h_to_c_0_3 = -1*h_to_c_1_2
56042  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
56043  h_to_c_2_3 = +2*alpha*h_to_c_1_2
56044  h_to_c_3_3 = +2*alpha*h_to_c_2_2
56045  h_to_c_0_4 = -1*h_to_c_1_3
56046  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
56047  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
56048  h_to_c_3_4 = +2*alpha*h_to_c_2_3
56049  h_to_c_4_4 = +2*alpha*h_to_c_3_3
56050  h_to_c_0_5 = -1*h_to_c_1_4
56051  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
56052  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
56053  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
56054  h_to_c_4_5 = +2*alpha*h_to_c_3_4
56055  h_to_c_5_5 = +2*alpha*h_to_c_4_4
56056  h_to_c_0_6 = -1*h_to_c_1_5
56057  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
56058  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
56059  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
56060  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
56061  h_to_c_5_6 = +2*alpha*h_to_c_4_5
56062  h_to_c_6_6 = +2*alpha*h_to_c_5_5
56063  h_to_c_0_7 = -1*h_to_c_1_6
56064  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
56065  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
56066  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
56067  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
56068  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
56069  h_to_c_6_7 = +2*alpha*h_to_c_5_6
56070  h_to_c_7_7 = +2*alpha*h_to_c_6_6
56071  h_to_c_0_8 = -1*h_to_c_1_7
56072  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
56073  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
56074  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
56075  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
56076  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
56077  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
56078  h_to_c_7_8 = +2*alpha*h_to_c_6_7
56079  h_to_c_8_8 = +2*alpha*h_to_c_7_7
56080  h_to_c_0_9 = -1*h_to_c_1_8
56081  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
56082  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
56083  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
56084  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
56085  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
56086  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
56087  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
56088  h_to_c_8_9 = +2*alpha*h_to_c_7_8
56089  h_to_c_9_9 = +2*alpha*h_to_c_8_8
56090  h_to_c_0_10 = -1*h_to_c_1_9
56091  h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
56092  h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
56093  h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
56094  h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
56095  h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
56096  h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
56097  h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
56098  h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
56099  h_to_c_9_10 = +2*alpha*h_to_c_8_9
56100  h_to_c_10_10 = +2*alpha*h_to_c_9_9
56101 
56102 
56103  rr1_delta = (ra - rb)/dr
56104 
56105  rr1_l = ceiling(-r_c(1) + rr1_delta)
56106  rr1_r = floor(r_c(1) + rr1_delta)
56107 
56108  r1 = rr1_l*dr
56109 
56110  alpha_e = zeta*zetb/(zeta + zetb)
56111 
56112  DO rr1 = rr1_l, rr1_r
56113  s_r_t_0 = 0.0_dp
56114  s_r_t2_0 = 0.0_dp
56115  s_r_t_1 = 0.0_dp
56116  s_r_t2_1 = 0.0_dp
56117  s_r_t_2 = 0.0_dp
56118  s_r_t2_2 = 0.0_dp
56119  s_r_t_3 = 0.0_dp
56120  s_r_t2_3 = 0.0_dp
56121  s_r_t_4 = 0.0_dp
56122  s_r_t2_4 = 0.0_dp
56123  s_r_t_5 = 0.0_dp
56124  s_r_t2_5 = 0.0_dp
56125  s_r_t_6 = 0.0_dp
56126  s_r_t2_6 = 0.0_dp
56127  s_r_t_7 = 0.0_dp
56128  s_r_t2_7 = 0.0_dp
56129  s_r_t_8 = 0.0_dp
56130  s_r_t2_8 = 0.0_dp
56131  s_r_t_9 = 0.0_dp
56132  s_r_t2_9 = 0.0_dp
56133  s_r_t_10 = 0.0_dp
56134  s_r_t2_10 = 0.0_dp
56135  r_tmp = r_offset + r1*zeta/(zeta + zetb)
56136  rr2_delta = -r_tmp/dr
56137 
56138  rr2_l = ceiling(-r_c(2) + rr2_delta)
56139  rr2_r = floor(r_c(2) + rr2_delta)
56140 
56141  r = r_tmp + (rr2_l)*dr
56142 
56143 
56144  DO rr2 = rr2_l, rr2_r
56145  r_pow_t = 1.0_dp
56146  exp2_rsq = exp(-alpha*r*r)
56147  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
56148  r_pow_t = r_pow_t*r
56149  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
56150  r_pow_t = r_pow_t*r
56151  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
56152  r_pow_t = r_pow_t*r
56153  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
56154  r_pow_t = r_pow_t*r
56155  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
56156  r_pow_t = r_pow_t*r
56157  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
56158  r_pow_t = r_pow_t*r
56159  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
56160  r_pow_t = r_pow_t*r
56161  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
56162  r_pow_t = r_pow_t*r
56163  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
56164  r_pow_t = r_pow_t*r
56165  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
56166  r_pow_t = r_pow_t*r
56167  s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
56168 
56169  r = r + dr
56170  END DO
56171 
56172  ! C --> H
56173  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
56174  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
56175  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
56176  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
56177  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
56178  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
56179  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
56180  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
56181  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
56182  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
56183  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
56184  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
56185  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
56186  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
56187  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
56188  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
56189  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
56190  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
56191  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
56192  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
56193  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
56194  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
56195  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
56196  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
56197  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
56198  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
56199  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
56200  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
56201  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
56202  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
56203  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
56204  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
56205  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
56206  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
56207  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
56208  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
56209  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
56210  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
56211  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
56212  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
56213  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
56214  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
56215  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
56216  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
56217  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
56218  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
56219  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
56220  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
56221  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
56222  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
56223  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
56224  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
56225  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
56226  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
56227  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
56228  s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
56229  s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
56230  s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
56231  s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
56232  s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
56233  s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
56234  s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
56235  s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
56236  s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
56237  s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
56238  s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
56239 
56240  ! H --> HH
56241  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
56242 
56243  c1 = 1.0_dp/(zeta + zetb)
56244  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
56245  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
56246 
56247  e_0_1_0 = zeta*( &
56248  +c2*e_0_0_0&
56249 
56250  )
56251  e_0_0_1 = zetb*( &
56252  +c3*e_0_0_0&
56253 
56254  )
56255  e_1_1_0 = zeta*( c1*e_0_0_0 &
56256 
56257 
56258  )
56259  e_1_0_1 = zetb*( c1*e_0_0_0 &
56260 
56261 
56262  )
56263  e_0_2_0 = zeta*( &
56264  +c2*e_0_1_0&
56265  +2*e_1_1_0 &
56266  -2*e_0_0_0)
56267  e_0_1_1 = zetb*( &
56268  +c3*e_0_1_0&
56269  +2*e_1_1_0 &
56270  )
56271  e_1_2_0 = zeta*( c1*e_0_1_0 &
56272  +c2*e_1_1_0&
56273 
56274  )
56275  e_1_1_1 = zetb*( c1*e_0_1_0 &
56276  +c3*e_1_1_0&
56277 
56278  )
56279  e_2_2_0 = zeta*( c1*e_1_1_0 &
56280 
56281 
56282  )
56283  e_2_1_1 = zetb*( c1*e_1_1_0 &
56284 
56285 
56286  )
56287  e_0_3_0 = zeta*( &
56288  +c2*e_0_2_0&
56289  +2*e_1_2_0 &
56290  -4*e_0_1_0)
56291  e_0_2_1 = zetb*( &
56292  +c3*e_0_2_0&
56293  +2*e_1_2_0 &
56294  )
56295  e_1_3_0 = zeta*( c1*e_0_2_0 &
56296  +c2*e_1_2_0&
56297  +4*e_2_2_0 &
56298  -4*e_1_1_0)
56299  e_1_2_1 = zetb*( c1*e_0_2_0 &
56300  +c3*e_1_2_0&
56301  +4*e_2_2_0 &
56302  )
56303  e_2_3_0 = zeta*( c1*e_1_2_0 &
56304  +c2*e_2_2_0&
56305 
56306  )
56307  e_2_2_1 = zetb*( c1*e_1_2_0 &
56308  +c3*e_2_2_0&
56309 
56310  )
56311  e_3_3_0 = zeta*( c1*e_2_2_0 &
56312 
56313 
56314  )
56315  e_3_2_1 = zetb*( c1*e_2_2_0 &
56316 
56317 
56318  )
56319  e_0_4_0 = zeta*( &
56320  +c2*e_0_3_0&
56321  +2*e_1_3_0 &
56322  -6*e_0_2_0)
56323  e_0_3_1 = zetb*( &
56324  +c3*e_0_3_0&
56325  +2*e_1_3_0 &
56326  )
56327  e_1_4_0 = zeta*( c1*e_0_3_0 &
56328  +c2*e_1_3_0&
56329  +4*e_2_3_0 &
56330  -6*e_1_2_0)
56331  e_1_3_1 = zetb*( c1*e_0_3_0 &
56332  +c3*e_1_3_0&
56333  +4*e_2_3_0 &
56334  )
56335  e_2_4_0 = zeta*( c1*e_1_3_0 &
56336  +c2*e_2_3_0&
56337  +6*e_3_3_0 &
56338  -6*e_2_2_0)
56339  e_2_3_1 = zetb*( c1*e_1_3_0 &
56340  +c3*e_2_3_0&
56341  +6*e_3_3_0 &
56342  )
56343  e_3_4_0 = zeta*( c1*e_2_3_0 &
56344  +c2*e_3_3_0&
56345 
56346  )
56347  e_3_3_1 = zetb*( c1*e_2_3_0 &
56348  +c3*e_3_3_0&
56349 
56350  )
56351  e_4_4_0 = zeta*( c1*e_3_3_0 &
56352 
56353 
56354  )
56355  e_4_3_1 = zetb*( c1*e_3_3_0 &
56356 
56357 
56358  )
56359  e_0_4_1 = zetb*( &
56360  +c3*e_0_4_0&
56361  +2*e_1_4_0 &
56362  )
56363  e_1_4_1 = zetb*( c1*e_0_4_0 &
56364  +c3*e_1_4_0&
56365  +4*e_2_4_0 &
56366  )
56367  e_2_4_1 = zetb*( c1*e_1_4_0 &
56368  +c3*e_2_4_0&
56369  +6*e_3_4_0 &
56370  )
56371  e_3_4_1 = zetb*( c1*e_2_4_0 &
56372  +c3*e_3_4_0&
56373  +8*e_4_4_0 &
56374  )
56375  e_4_4_1 = zetb*( c1*e_3_4_0 &
56376  +c3*e_4_4_0&
56377 
56378  )
56379  e_5_4_1 = zetb*( c1*e_4_4_0 &
56380 
56381 
56382  )
56383  e_0_1_1 = zeta*( &
56384  +c2*e_0_0_1&
56385  +2*e_1_0_1 &
56386  )
56387  e_0_0_2 = zetb*( &
56388  +c3*e_0_0_1&
56389  +2*e_1_0_1 &
56390  -2*e_0_0_0)
56391  e_1_1_1 = zeta*( c1*e_0_0_1 &
56392  +c2*e_1_0_1&
56393 
56394  )
56395  e_1_0_2 = zetb*( c1*e_0_0_1 &
56396  +c3*e_1_0_1&
56397 
56398  )
56399  e_2_1_1 = zeta*( c1*e_1_0_1 &
56400 
56401 
56402  )
56403  e_2_0_2 = zetb*( c1*e_1_0_1 &
56404 
56405 
56406  )
56407  e_0_2_1 = zeta*( &
56408  +c2*e_0_1_1&
56409  +2*e_1_1_1 &
56410  -2*e_0_0_1)
56411  e_0_1_2 = zetb*( &
56412  +c3*e_0_1_1&
56413  +2*e_1_1_1 &
56414  -2*e_0_1_0)
56415  e_1_2_1 = zeta*( c1*e_0_1_1 &
56416  +c2*e_1_1_1&
56417  +4*e_2_1_1 &
56418  -2*e_1_0_1)
56419  e_1_1_2 = zetb*( c1*e_0_1_1 &
56420  +c3*e_1_1_1&
56421  +4*e_2_1_1 &
56422  -2*e_1_1_0)
56423  e_2_2_1 = zeta*( c1*e_1_1_1 &
56424  +c2*e_2_1_1&
56425 
56426  )
56427  e_2_1_2 = zetb*( c1*e_1_1_1 &
56428  +c3*e_2_1_1&
56429 
56430  )
56431  e_3_2_1 = zeta*( c1*e_2_1_1 &
56432 
56433 
56434  )
56435  e_3_1_2 = zetb*( c1*e_2_1_1 &
56436 
56437 
56438  )
56439  e_0_3_1 = zeta*( &
56440  +c2*e_0_2_1&
56441  +2*e_1_2_1 &
56442  -4*e_0_1_1)
56443  e_0_2_2 = zetb*( &
56444  +c3*e_0_2_1&
56445  +2*e_1_2_1 &
56446  -2*e_0_2_0)
56447  e_1_3_1 = zeta*( c1*e_0_2_1 &
56448  +c2*e_1_2_1&
56449  +4*e_2_2_1 &
56450  -4*e_1_1_1)
56451  e_1_2_2 = zetb*( c1*e_0_2_1 &
56452  +c3*e_1_2_1&
56453  +4*e_2_2_1 &
56454  -2*e_1_2_0)
56455  e_2_3_1 = zeta*( c1*e_1_2_1 &
56456  +c2*e_2_2_1&
56457  +6*e_3_2_1 &
56458  -4*e_2_1_1)
56459  e_2_2_2 = zetb*( c1*e_1_2_1 &
56460  +c3*e_2_2_1&
56461  +6*e_3_2_1 &
56462  -2*e_2_2_0)
56463  e_3_3_1 = zeta*( c1*e_2_2_1 &
56464  +c2*e_3_2_1&
56465 
56466  )
56467  e_3_2_2 = zetb*( c1*e_2_2_1 &
56468  +c3*e_3_2_1&
56469 
56470  )
56471  e_4_3_1 = zeta*( c1*e_3_2_1 &
56472 
56473 
56474  )
56475  e_4_2_2 = zetb*( c1*e_3_2_1 &
56476 
56477 
56478  )
56479  e_0_4_1 = zeta*( &
56480  +c2*e_0_3_1&
56481  +2*e_1_3_1 &
56482  -6*e_0_2_1)
56483  e_0_3_2 = zetb*( &
56484  +c3*e_0_3_1&
56485  +2*e_1_3_1 &
56486  -2*e_0_3_0)
56487  e_1_4_1 = zeta*( c1*e_0_3_1 &
56488  +c2*e_1_3_1&
56489  +4*e_2_3_1 &
56490  -6*e_1_2_1)
56491  e_1_3_2 = zetb*( c1*e_0_3_1 &
56492  +c3*e_1_3_1&
56493  +4*e_2_3_1 &
56494  -2*e_1_3_0)
56495  e_2_4_1 = zeta*( c1*e_1_3_1 &
56496  +c2*e_2_3_1&
56497  +6*e_3_3_1 &
56498  -6*e_2_2_1)
56499  e_2_3_2 = zetb*( c1*e_1_3_1 &
56500  +c3*e_2_3_1&
56501  +6*e_3_3_1 &
56502  -2*e_2_3_0)
56503  e_3_4_1 = zeta*( c1*e_2_3_1 &
56504  +c2*e_3_3_1&
56505  +8*e_4_3_1 &
56506  -6*e_3_2_1)
56507  e_3_3_2 = zetb*( c1*e_2_3_1 &
56508  +c3*e_3_3_1&
56509  +8*e_4_3_1 &
56510  -2*e_3_3_0)
56511  e_4_4_1 = zeta*( c1*e_3_3_1 &
56512  +c2*e_4_3_1&
56513 
56514  )
56515  e_4_3_2 = zetb*( c1*e_3_3_1 &
56516  +c3*e_4_3_1&
56517 
56518  )
56519  e_5_4_1 = zeta*( c1*e_4_3_1 &
56520 
56521 
56522  )
56523  e_5_3_2 = zetb*( c1*e_4_3_1 &
56524 
56525 
56526  )
56527  e_0_4_2 = zetb*( &
56528  +c3*e_0_4_1&
56529  +2*e_1_4_1 &
56530  -2*e_0_4_0)
56531  e_1_4_2 = zetb*( c1*e_0_4_1 &
56532  +c3*e_1_4_1&
56533  +4*e_2_4_1 &
56534  -2*e_1_4_0)
56535  e_2_4_2 = zetb*( c1*e_1_4_1 &
56536  +c3*e_2_4_1&
56537  +6*e_3_4_1 &
56538  -2*e_2_4_0)
56539  e_3_4_2 = zetb*( c1*e_2_4_1 &
56540  +c3*e_3_4_1&
56541  +8*e_4_4_1 &
56542  -2*e_3_4_0)
56543  e_4_4_2 = zetb*( c1*e_3_4_1 &
56544  +c3*e_4_4_1&
56545  +10*e_5_4_1 &
56546  -2*e_4_4_0)
56547  e_5_4_2 = zetb*( c1*e_4_4_1 &
56548  +c3*e_5_4_1&
56549 
56550  )
56551  e_6_4_2 = zetb*( c1*e_5_4_1 &
56552 
56553 
56554  )
56555  e_0_1_2 = zeta*( &
56556  +c2*e_0_0_2&
56557  +2*e_1_0_2 &
56558  )
56559  e_0_0_3 = zetb*( &
56560  +c3*e_0_0_2&
56561  +2*e_1_0_2 &
56562  -4*e_0_0_1)
56563  e_1_1_2 = zeta*( c1*e_0_0_2 &
56564  +c2*e_1_0_2&
56565  +4*e_2_0_2 &
56566  )
56567  e_1_0_3 = zetb*( c1*e_0_0_2 &
56568  +c3*e_1_0_2&
56569  +4*e_2_0_2 &
56570  -4*e_1_0_1)
56571  e_2_1_2 = zeta*( c1*e_1_0_2 &
56572  +c2*e_2_0_2&
56573 
56574  )
56575  e_2_0_3 = zetb*( c1*e_1_0_2 &
56576  +c3*e_2_0_2&
56577 
56578  )
56579  e_3_1_2 = zeta*( c1*e_2_0_2 &
56580 
56581 
56582  )
56583  e_3_0_3 = zetb*( c1*e_2_0_2 &
56584 
56585 
56586  )
56587  e_0_2_2 = zeta*( &
56588  +c2*e_0_1_2&
56589  +2*e_1_1_2 &
56590  -2*e_0_0_2)
56591  e_0_1_3 = zetb*( &
56592  +c3*e_0_1_2&
56593  +2*e_1_1_2 &
56594  -4*e_0_1_1)
56595  e_1_2_2 = zeta*( c1*e_0_1_2 &
56596  +c2*e_1_1_2&
56597  +4*e_2_1_2 &
56598  -2*e_1_0_2)
56599  e_1_1_3 = zetb*( c1*e_0_1_2 &
56600  +c3*e_1_1_2&
56601  +4*e_2_1_2 &
56602  -4*e_1_1_1)
56603  e_2_2_2 = zeta*( c1*e_1_1_2 &
56604  +c2*e_2_1_2&
56605  +6*e_3_1_2 &
56606  -2*e_2_0_2)
56607  e_2_1_3 = zetb*( c1*e_1_1_2 &
56608  +c3*e_2_1_2&
56609  +6*e_3_1_2 &
56610  -4*e_2_1_1)
56611  e_3_2_2 = zeta*( c1*e_2_1_2 &
56612  +c2*e_3_1_2&
56613 
56614  )
56615  e_3_1_3 = zetb*( c1*e_2_1_2 &
56616  +c3*e_3_1_2&
56617 
56618  )
56619  e_4_2_2 = zeta*( c1*e_3_1_2 &
56620 
56621 
56622  )
56623  e_4_1_3 = zetb*( c1*e_3_1_2 &
56624 
56625 
56626  )
56627  e_0_3_2 = zeta*( &
56628  +c2*e_0_2_2&
56629  +2*e_1_2_2 &
56630  -4*e_0_1_2)
56631  e_0_2_3 = zetb*( &
56632  +c3*e_0_2_2&
56633  +2*e_1_2_2 &
56634  -4*e_0_2_1)
56635  e_1_3_2 = zeta*( c1*e_0_2_2 &
56636  +c2*e_1_2_2&
56637  +4*e_2_2_2 &
56638  -4*e_1_1_2)
56639  e_1_2_3 = zetb*( c1*e_0_2_2 &
56640  +c3*e_1_2_2&
56641  +4*e_2_2_2 &
56642  -4*e_1_2_1)
56643  e_2_3_2 = zeta*( c1*e_1_2_2 &
56644  +c2*e_2_2_2&
56645  +6*e_3_2_2 &
56646  -4*e_2_1_2)
56647  e_2_2_3 = zetb*( c1*e_1_2_2 &
56648  +c3*e_2_2_2&
56649  +6*e_3_2_2 &
56650  -4*e_2_2_1)
56651  e_3_3_2 = zeta*( c1*e_2_2_2 &
56652  +c2*e_3_2_2&
56653  +8*e_4_2_2 &
56654  -4*e_3_1_2)
56655  e_3_2_3 = zetb*( c1*e_2_2_2 &
56656  +c3*e_3_2_2&
56657  +8*e_4_2_2 &
56658  -4*e_3_2_1)
56659  e_4_3_2 = zeta*( c1*e_3_2_2 &
56660  +c2*e_4_2_2&
56661 
56662  )
56663  e_4_2_3 = zetb*( c1*e_3_2_2 &
56664  +c3*e_4_2_2&
56665 
56666  )
56667  e_5_3_2 = zeta*( c1*e_4_2_2 &
56668 
56669 
56670  )
56671  e_5_2_3 = zetb*( c1*e_4_2_2 &
56672 
56673 
56674  )
56675  e_0_4_2 = zeta*( &
56676  +c2*e_0_3_2&
56677  +2*e_1_3_2 &
56678  -6*e_0_2_2)
56679  e_0_3_3 = zetb*( &
56680  +c3*e_0_3_2&
56681  +2*e_1_3_2 &
56682  -4*e_0_3_1)
56683  e_1_4_2 = zeta*( c1*e_0_3_2 &
56684  +c2*e_1_3_2&
56685  +4*e_2_3_2 &
56686  -6*e_1_2_2)
56687  e_1_3_3 = zetb*( c1*e_0_3_2 &
56688  +c3*e_1_3_2&
56689  +4*e_2_3_2 &
56690  -4*e_1_3_1)
56691  e_2_4_2 = zeta*( c1*e_1_3_2 &
56692  +c2*e_2_3_2&
56693  +6*e_3_3_2 &
56694  -6*e_2_2_2)
56695  e_2_3_3 = zetb*( c1*e_1_3_2 &
56696  +c3*e_2_3_2&
56697  +6*e_3_3_2 &
56698  -4*e_2_3_1)
56699  e_3_4_2 = zeta*( c1*e_2_3_2 &
56700  +c2*e_3_3_2&
56701  +8*e_4_3_2 &
56702  -6*e_3_2_2)
56703  e_3_3_3 = zetb*( c1*e_2_3_2 &
56704  +c3*e_3_3_2&
56705  +8*e_4_3_2 &
56706  -4*e_3_3_1)
56707  e_4_4_2 = zeta*( c1*e_3_3_2 &
56708  +c2*e_4_3_2&
56709  +10*e_5_3_2 &
56710  -6*e_4_2_2)
56711  e_4_3_3 = zetb*( c1*e_3_3_2 &
56712  +c3*e_4_3_2&
56713  +10*e_5_3_2 &
56714  -4*e_4_3_1)
56715  e_5_4_2 = zeta*( c1*e_4_3_2 &
56716  +c2*e_5_3_2&
56717 
56718  )
56719  e_5_3_3 = zetb*( c1*e_4_3_2 &
56720  +c3*e_5_3_2&
56721 
56722  )
56723  e_6_4_2 = zeta*( c1*e_5_3_2 &
56724 
56725 
56726  )
56727  e_6_3_3 = zetb*( c1*e_5_3_2 &
56728 
56729 
56730  )
56731  e_0_4_3 = zetb*( &
56732  +c3*e_0_4_2&
56733  +2*e_1_4_2 &
56734  -4*e_0_4_1)
56735  e_1_4_3 = zetb*( c1*e_0_4_2 &
56736  +c3*e_1_4_2&
56737  +4*e_2_4_2 &
56738  -4*e_1_4_1)
56739  e_2_4_3 = zetb*( c1*e_1_4_2 &
56740  +c3*e_2_4_2&
56741  +6*e_3_4_2 &
56742  -4*e_2_4_1)
56743  e_3_4_3 = zetb*( c1*e_2_4_2 &
56744  +c3*e_3_4_2&
56745  +8*e_4_4_2 &
56746  -4*e_3_4_1)
56747  e_4_4_3 = zetb*( c1*e_3_4_2 &
56748  +c3*e_4_4_2&
56749  +10*e_5_4_2 &
56750  -4*e_4_4_1)
56751  e_5_4_3 = zetb*( c1*e_4_4_2 &
56752  +c3*e_5_4_2&
56753  +12*e_6_4_2 &
56754  -4*e_5_4_1)
56755  e_6_4_3 = zetb*( c1*e_5_4_2 &
56756  +c3*e_6_4_2&
56757 
56758  )
56759  e_7_4_3 = zetb*( c1*e_6_4_2 &
56760 
56761 
56762  )
56763  e_0_1_3 = zeta*( &
56764  +c2*e_0_0_3&
56765  +2*e_1_0_3 &
56766  )
56767  e_0_0_4 = zetb*( &
56768  +c3*e_0_0_3&
56769  +2*e_1_0_3 &
56770  -6*e_0_0_2)
56771  e_1_1_3 = zeta*( c1*e_0_0_3 &
56772  +c2*e_1_0_3&
56773  +4*e_2_0_3 &
56774  )
56775  e_1_0_4 = zetb*( c1*e_0_0_3 &
56776  +c3*e_1_0_3&
56777  +4*e_2_0_3 &
56778  -6*e_1_0_2)
56779  e_2_1_3 = zeta*( c1*e_1_0_3 &
56780  +c2*e_2_0_3&
56781  +6*e_3_0_3 &
56782  )
56783  e_2_0_4 = zetb*( c1*e_1_0_3 &
56784  +c3*e_2_0_3&
56785  +6*e_3_0_3 &
56786  -6*e_2_0_2)
56787  e_3_1_3 = zeta*( c1*e_2_0_3 &
56788  +c2*e_3_0_3&
56789 
56790  )
56791  e_3_0_4 = zetb*( c1*e_2_0_3 &
56792  +c3*e_3_0_3&
56793 
56794  )
56795  e_4_1_3 = zeta*( c1*e_3_0_3 &
56796 
56797 
56798  )
56799  e_4_0_4 = zetb*( c1*e_3_0_3 &
56800 
56801 
56802  )
56803  e_0_2_3 = zeta*( &
56804  +c2*e_0_1_3&
56805  +2*e_1_1_3 &
56806  -2*e_0_0_3)
56807  e_0_1_4 = zetb*( &
56808  +c3*e_0_1_3&
56809  +2*e_1_1_3 &
56810  -6*e_0_1_2)
56811  e_1_2_3 = zeta*( c1*e_0_1_3 &
56812  +c2*e_1_1_3&
56813  +4*e_2_1_3 &
56814  -2*e_1_0_3)
56815  e_1_1_4 = zetb*( c1*e_0_1_3 &
56816  +c3*e_1_1_3&
56817  +4*e_2_1_3 &
56818  -6*e_1_1_2)
56819  e_2_2_3 = zeta*( c1*e_1_1_3 &
56820  +c2*e_2_1_3&
56821  +6*e_3_1_3 &
56822  -2*e_2_0_3)
56823  e_2_1_4 = zetb*( c1*e_1_1_3 &
56824  +c3*e_2_1_3&
56825  +6*e_3_1_3 &
56826  -6*e_2_1_2)
56827  e_3_2_3 = zeta*( c1*e_2_1_3 &
56828  +c2*e_3_1_3&
56829  +8*e_4_1_3 &
56830  -2*e_3_0_3)
56831  e_3_1_4 = zetb*( c1*e_2_1_3 &
56832  +c3*e_3_1_3&
56833  +8*e_4_1_3 &
56834  -6*e_3_1_2)
56835  e_4_2_3 = zeta*( c1*e_3_1_3 &
56836  +c2*e_4_1_3&
56837 
56838  )
56839  e_4_1_4 = zetb*( c1*e_3_1_3 &
56840  +c3*e_4_1_3&
56841 
56842  )
56843  e_5_2_3 = zeta*( c1*e_4_1_3 &
56844 
56845 
56846  )
56847  e_5_1_4 = zetb*( c1*e_4_1_3 &
56848 
56849 
56850  )
56851  e_0_3_3 = zeta*( &
56852  +c2*e_0_2_3&
56853  +2*e_1_2_3 &
56854  -4*e_0_1_3)
56855  e_0_2_4 = zetb*( &
56856  +c3*e_0_2_3&
56857  +2*e_1_2_3 &
56858  -6*e_0_2_2)
56859  e_1_3_3 = zeta*( c1*e_0_2_3 &
56860  +c2*e_1_2_3&
56861  +4*e_2_2_3 &
56862  -4*e_1_1_3)
56863  e_1_2_4 = zetb*( c1*e_0_2_3 &
56864  +c3*e_1_2_3&
56865  +4*e_2_2_3 &
56866  -6*e_1_2_2)
56867  e_2_3_3 = zeta*( c1*e_1_2_3 &
56868  +c2*e_2_2_3&
56869  +6*e_3_2_3 &
56870  -4*e_2_1_3)
56871  e_2_2_4 = zetb*( c1*e_1_2_3 &
56872  +c3*e_2_2_3&
56873  +6*e_3_2_3 &
56874  -6*e_2_2_2)
56875  e_3_3_3 = zeta*( c1*e_2_2_3 &
56876  +c2*e_3_2_3&
56877  +8*e_4_2_3 &
56878  -4*e_3_1_3)
56879  e_3_2_4 = zetb*( c1*e_2_2_3 &
56880  +c3*e_3_2_3&
56881  +8*e_4_2_3 &
56882  -6*e_3_2_2)
56883  e_4_3_3 = zeta*( c1*e_3_2_3 &
56884  +c2*e_4_2_3&
56885  +10*e_5_2_3 &
56886  -4*e_4_1_3)
56887  e_4_2_4 = zetb*( c1*e_3_2_3 &
56888  +c3*e_4_2_3&
56889  +10*e_5_2_3 &
56890  -6*e_4_2_2)
56891  e_5_3_3 = zeta*( c1*e_4_2_3 &
56892  +c2*e_5_2_3&
56893 
56894  )
56895  e_5_2_4 = zetb*( c1*e_4_2_3 &
56896  +c3*e_5_2_3&
56897 
56898  )
56899  e_6_3_3 = zeta*( c1*e_5_2_3 &
56900 
56901 
56902  )
56903  e_6_2_4 = zetb*( c1*e_5_2_3 &
56904 
56905 
56906  )
56907  e_0_4_3 = zeta*( &
56908  +c2*e_0_3_3&
56909  +2*e_1_3_3 &
56910  -6*e_0_2_3)
56911  e_0_3_4 = zetb*( &
56912  +c3*e_0_3_3&
56913  +2*e_1_3_3 &
56914  -6*e_0_3_2)
56915  e_1_4_3 = zeta*( c1*e_0_3_3 &
56916  +c2*e_1_3_3&
56917  +4*e_2_3_3 &
56918  -6*e_1_2_3)
56919  e_1_3_4 = zetb*( c1*e_0_3_3 &
56920  +c3*e_1_3_3&
56921  +4*e_2_3_3 &
56922  -6*e_1_3_2)
56923  e_2_4_3 = zeta*( c1*e_1_3_3 &
56924  +c2*e_2_3_3&
56925  +6*e_3_3_3 &
56926  -6*e_2_2_3)
56927  e_2_3_4 = zetb*( c1*e_1_3_3 &
56928  +c3*e_2_3_3&
56929  +6*e_3_3_3 &
56930  -6*e_2_3_2)
56931  e_3_4_3 = zeta*( c1*e_2_3_3 &
56932  +c2*e_3_3_3&
56933  +8*e_4_3_3 &
56934  -6*e_3_2_3)
56935  e_3_3_4 = zetb*( c1*e_2_3_3 &
56936  +c3*e_3_3_3&
56937  +8*e_4_3_3 &
56938  -6*e_3_3_2)
56939  e_4_4_3 = zeta*( c1*e_3_3_3 &
56940  +c2*e_4_3_3&
56941  +10*e_5_3_3 &
56942  -6*e_4_2_3)
56943  e_4_3_4 = zetb*( c1*e_3_3_3 &
56944  +c3*e_4_3_3&
56945  +10*e_5_3_3 &
56946  -6*e_4_3_2)
56947  e_5_4_3 = zeta*( c1*e_4_3_3 &
56948  +c2*e_5_3_3&
56949  +12*e_6_3_3 &
56950  -6*e_5_2_3)
56951  e_5_3_4 = zetb*( c1*e_4_3_3 &
56952  +c3*e_5_3_3&
56953  +12*e_6_3_3 &
56954  -6*e_5_3_2)
56955  e_6_4_3 = zeta*( c1*e_5_3_3 &
56956  +c2*e_6_3_3&
56957 
56958  )
56959  e_6_3_4 = zetb*( c1*e_5_3_3 &
56960  +c3*e_6_3_3&
56961 
56962  )
56963  e_7_4_3 = zeta*( c1*e_6_3_3 &
56964 
56965 
56966  )
56967  e_7_3_4 = zetb*( c1*e_6_3_3 &
56968 
56969 
56970  )
56971  e_0_4_4 = zetb*( &
56972  +c3*e_0_4_3&
56973  +2*e_1_4_3 &
56974  -6*e_0_4_2)
56975  e_1_4_4 = zetb*( c1*e_0_4_3 &
56976  +c3*e_1_4_3&
56977  +4*e_2_4_3 &
56978  -6*e_1_4_2)
56979  e_2_4_4 = zetb*( c1*e_1_4_3 &
56980  +c3*e_2_4_3&
56981  +6*e_3_4_3 &
56982  -6*e_2_4_2)
56983  e_3_4_4 = zetb*( c1*e_2_4_3 &
56984  +c3*e_3_4_3&
56985  +8*e_4_4_3 &
56986  -6*e_3_4_2)
56987  e_4_4_4 = zetb*( c1*e_3_4_3 &
56988  +c3*e_4_4_3&
56989  +10*e_5_4_3 &
56990  -6*e_4_4_2)
56991  e_5_4_4 = zetb*( c1*e_4_4_3 &
56992  +c3*e_5_4_3&
56993  +12*e_6_4_3 &
56994  -6*e_5_4_2)
56995  e_6_4_4 = zetb*( c1*e_5_4_3 &
56996  +c3*e_6_4_3&
56997  +14*e_7_4_3 &
56998  -6*e_6_4_2)
56999  e_7_4_4 = zetb*( c1*e_6_4_3 &
57000  +c3*e_7_4_3&
57001 
57002  )
57003  e_8_4_4 = zetb*( c1*e_7_4_3 &
57004 
57005 
57006  )
57007  e_0_1_4 = zeta*( &
57008  +c2*e_0_0_4&
57009  +2*e_1_0_4 &
57010  )
57011  e_1_1_4 = zeta*( c1*e_0_0_4 &
57012  +c2*e_1_0_4&
57013  +4*e_2_0_4 &
57014  )
57015  e_2_1_4 = zeta*( c1*e_1_0_4 &
57016  +c2*e_2_0_4&
57017  +6*e_3_0_4 &
57018  )
57019  e_3_1_4 = zeta*( c1*e_2_0_4 &
57020  +c2*e_3_0_4&
57021  +8*e_4_0_4 &
57022  )
57023  e_4_1_4 = zeta*( c1*e_3_0_4 &
57024  +c2*e_4_0_4&
57025 
57026  )
57027  e_5_1_4 = zeta*( c1*e_4_0_4 &
57028 
57029 
57030  )
57031  e_0_2_4 = zeta*( &
57032  +c2*e_0_1_4&
57033  +2*e_1_1_4 &
57034  -2*e_0_0_4)
57035  e_1_2_4 = zeta*( c1*e_0_1_4 &
57036  +c2*e_1_1_4&
57037  +4*e_2_1_4 &
57038  -2*e_1_0_4)
57039  e_2_2_4 = zeta*( c1*e_1_1_4 &
57040  +c2*e_2_1_4&
57041  +6*e_3_1_4 &
57042  -2*e_2_0_4)
57043  e_3_2_4 = zeta*( c1*e_2_1_4 &
57044  +c2*e_3_1_4&
57045  +8*e_4_1_4 &
57046  -2*e_3_0_4)
57047  e_4_2_4 = zeta*( c1*e_3_1_4 &
57048  +c2*e_4_1_4&
57049  +10*e_5_1_4 &
57050  -2*e_4_0_4)
57051  e_5_2_4 = zeta*( c1*e_4_1_4 &
57052  +c2*e_5_1_4&
57053 
57054  )
57055  e_6_2_4 = zeta*( c1*e_5_1_4 &
57056 
57057 
57058  )
57059  e_0_3_4 = zeta*( &
57060  +c2*e_0_2_4&
57061  +2*e_1_2_4 &
57062  -4*e_0_1_4)
57063  e_1_3_4 = zeta*( c1*e_0_2_4 &
57064  +c2*e_1_2_4&
57065  +4*e_2_2_4 &
57066  -4*e_1_1_4)
57067  e_2_3_4 = zeta*( c1*e_1_2_4 &
57068  +c2*e_2_2_4&
57069  +6*e_3_2_4 &
57070  -4*e_2_1_4)
57071  e_3_3_4 = zeta*( c1*e_2_2_4 &
57072  +c2*e_3_2_4&
57073  +8*e_4_2_4 &
57074  -4*e_3_1_4)
57075  e_4_3_4 = zeta*( c1*e_3_2_4 &
57076  +c2*e_4_2_4&
57077  +10*e_5_2_4 &
57078  -4*e_4_1_4)
57079  e_5_3_4 = zeta*( c1*e_4_2_4 &
57080  +c2*e_5_2_4&
57081  +12*e_6_2_4 &
57082  -4*e_5_1_4)
57083  e_6_3_4 = zeta*( c1*e_5_2_4 &
57084  +c2*e_6_2_4&
57085 
57086  )
57087  e_7_3_4 = zeta*( c1*e_6_2_4 &
57088 
57089 
57090  )
57091  e_0_4_4 = zeta*( &
57092  +c2*e_0_3_4&
57093  +2*e_1_3_4 &
57094  -6*e_0_2_4)
57095  e_1_4_4 = zeta*( c1*e_0_3_4 &
57096  +c2*e_1_3_4&
57097  +4*e_2_3_4 &
57098  -6*e_1_2_4)
57099  e_2_4_4 = zeta*( c1*e_1_3_4 &
57100  +c2*e_2_3_4&
57101  +6*e_3_3_4 &
57102  -6*e_2_2_4)
57103  e_3_4_4 = zeta*( c1*e_2_3_4 &
57104  +c2*e_3_3_4&
57105  +8*e_4_3_4 &
57106  -6*e_3_2_4)
57107  e_4_4_4 = zeta*( c1*e_3_3_4 &
57108  +c2*e_4_3_4&
57109  +10*e_5_3_4 &
57110  -6*e_4_2_4)
57111  e_5_4_4 = zeta*( c1*e_4_3_4 &
57112  +c2*e_5_3_4&
57113  +12*e_6_3_4 &
57114  -6*e_5_2_4)
57115  e_6_4_4 = zeta*( c1*e_5_3_4 &
57116  +c2*e_6_3_4&
57117  +14*e_7_3_4 &
57118  -6*e_6_2_4)
57119  e_7_4_4 = zeta*( c1*e_6_3_4 &
57120  +c2*e_7_3_4&
57121 
57122  )
57123  e_8_4_4 = zeta*( c1*e_7_3_4 &
57124 
57125 
57126  )
57127 
57128  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
57129  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
57130  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
57131  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
57132  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
57133  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
57134  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
57135  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
57136  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
57137  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
57138  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
57139  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
57140  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
57141  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
57142  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
57143  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
57144  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
57145  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
57146  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
57147  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
57148  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
57149  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
57150  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
57151  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
57152  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
57153  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
57154  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
57155  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
57156  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
57157  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
57158  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
57159  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
57160  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
57161  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
57162  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
57163  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
57164  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
57165  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
57166  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
57167  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
57168  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
57169  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
57170  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
57171  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
57172  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
57173  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
57174  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
57175  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
57176  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
57177  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
57178  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
57179  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
57180  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
57181  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
57182  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
57183  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
57184  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
57185  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
57186  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
57187  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
57188  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
57189  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
57190  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
57191  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
57192  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
57193  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
57194  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
57195  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
57196  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
57197  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
57198  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
57199  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
57200  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
57201  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
57202  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
57203  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
57204  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
57205  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
57206  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
57207  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
57208  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
57209  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
57210  s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
57211  s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
57212  s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
57213  s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
57214  s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
57215  s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
57216  s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
57217  s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
57218  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
57219  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
57220  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
57221  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
57222  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
57223  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
57224  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
57225  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
57226  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
57227  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
57228  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
57229  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
57230  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
57231  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
57232  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
57233  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
57234  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
57235  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
57236  s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
57237  s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
57238  s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
57239  s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
57240  s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
57241  s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
57242  s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
57243  s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
57244  s_r(4, 4, 0) = s_r(4, 4, 0) + e_0_4_4*(1)*s_r_t2_0 ! cost: 5 flops
57245  s_r(4, 4, 0) = s_r(4, 4, 0) + e_1_4_4*(1)*s_r_t2_1 ! cost: 5 flops
57246  s_r(4, 4, 0) = s_r(4, 4, 0) + e_2_4_4*(1)*s_r_t2_2 ! cost: 5 flops
57247  s_r(4, 4, 0) = s_r(4, 4, 0) + e_3_4_4*(1)*s_r_t2_3 ! cost: 5 flops
57248  s_r(4, 4, 0) = s_r(4, 4, 0) + e_4_4_4*(1)*s_r_t2_4 ! cost: 5 flops
57249  s_r(4, 4, 0) = s_r(4, 4, 0) + e_5_4_4*(1)*s_r_t2_5 ! cost: 5 flops
57250  s_r(4, 4, 0) = s_r(4, 4, 0) + e_6_4_4*(1)*s_r_t2_6 ! cost: 5 flops
57251  s_r(4, 4, 0) = s_r(4, 4, 0) + e_7_4_4*(1)*s_r_t2_7 ! cost: 5 flops
57252  s_r(4, 4, 0) = s_r(4, 4, 0) + e_8_4_4*(1)*s_r_t2_8 ! cost: 5 flops
57253  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
57254  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
57255  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
57256  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
57257  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
57258  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
57259  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
57260  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
57261  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
57262  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
57263  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
57264  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
57265  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
57266  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
57267  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
57268  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
57269  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
57270  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
57271  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
57272  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
57273  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
57274  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
57275  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
57276  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
57277  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
57278  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
57279  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
57280  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
57281  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
57282  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
57283  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
57284  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
57285  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
57286  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
57287  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
57288  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
57289  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
57290  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
57291  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
57292  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
57293  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
57294  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
57295  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
57296  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
57297  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
57298  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
57299  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
57300  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
57301  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
57302  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
57303  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
57304  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
57305  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
57306  s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
57307  s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
57308  s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
57309  s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
57310  s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
57311  s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
57312  s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
57313  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
57314  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
57315  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
57316  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
57317  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
57318  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
57319  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
57320  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
57321  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
57322  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
57323  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
57324  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
57325  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
57326  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
57327  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
57328  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
57329  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
57330  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
57331  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
57332  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
57333  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
57334  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
57335  s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
57336  s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
57337  s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
57338  s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
57339  s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
57340  s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
57341  s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
57342  s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
57343  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
57344  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
57345  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
57346  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
57347  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
57348  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
57349  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
57350  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
57351  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
57352  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
57353  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
57354  s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
57355  s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
57356  s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
57357  s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
57358  s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
57359  s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
57360  s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
57361  s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
57362  s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
57363  s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
57364  s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
57365  s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
57366  s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
57367  s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
57368  s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
57369  s_r(4, 4, 1) = s_r(4, 4, 1) + e_0_4_4*(-1)*s_r_t2_1 ! cost: 5 flops
57370  s_r(4, 4, 1) = s_r(4, 4, 1) + e_1_4_4*(-1)*s_r_t2_2 ! cost: 5 flops
57371  s_r(4, 4, 1) = s_r(4, 4, 1) + e_2_4_4*(-1)*s_r_t2_3 ! cost: 5 flops
57372  s_r(4, 4, 1) = s_r(4, 4, 1) + e_3_4_4*(-1)*s_r_t2_4 ! cost: 5 flops
57373  s_r(4, 4, 1) = s_r(4, 4, 1) + e_4_4_4*(-1)*s_r_t2_5 ! cost: 5 flops
57374  s_r(4, 4, 1) = s_r(4, 4, 1) + e_5_4_4*(-1)*s_r_t2_6 ! cost: 5 flops
57375  s_r(4, 4, 1) = s_r(4, 4, 1) + e_6_4_4*(-1)*s_r_t2_7 ! cost: 5 flops
57376  s_r(4, 4, 1) = s_r(4, 4, 1) + e_7_4_4*(-1)*s_r_t2_8 ! cost: 5 flops
57377  s_r(4, 4, 1) = s_r(4, 4, 1) + e_8_4_4*(-1)*s_r_t2_9 ! cost: 5 flops
57378  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
57379  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
57380  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
57381  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
57382  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
57383  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
57384  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
57385  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
57386  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
57387  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
57388  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
57389  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
57390  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
57391  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
57392  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
57393  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
57394  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
57395  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
57396  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
57397  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
57398  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
57399  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
57400  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
57401  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
57402  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
57403  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
57404  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
57405  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
57406  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
57407  s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
57408  s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
57409  s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
57410  s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
57411  s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
57412  s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
57413  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
57414  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
57415  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
57416  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
57417  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
57418  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
57419  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
57420  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
57421  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
57422  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
57423  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
57424  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
57425  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
57426  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
57427  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
57428  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
57429  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
57430  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
57431  s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
57432  s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
57433  s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
57434  s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
57435  s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
57436  s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
57437  s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
57438  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
57439  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
57440  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
57441  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
57442  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
57443  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
57444  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
57445  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
57446  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
57447  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
57448  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
57449  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
57450  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
57451  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
57452  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
57453  s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
57454  s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
57455  s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
57456  s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
57457  s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
57458  s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
57459  s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
57460  s_r(4, 3, 2) = s_r(4, 3, 2) + e_0_4_3*(1)*s_r_t2_2 ! cost: 5 flops
57461  s_r(4, 3, 2) = s_r(4, 3, 2) + e_1_4_3*(1)*s_r_t2_3 ! cost: 5 flops
57462  s_r(4, 3, 2) = s_r(4, 3, 2) + e_2_4_3*(1)*s_r_t2_4 ! cost: 5 flops
57463  s_r(4, 3, 2) = s_r(4, 3, 2) + e_3_4_3*(1)*s_r_t2_5 ! cost: 5 flops
57464  s_r(4, 3, 2) = s_r(4, 3, 2) + e_4_4_3*(1)*s_r_t2_6 ! cost: 5 flops
57465  s_r(4, 3, 2) = s_r(4, 3, 2) + e_5_4_3*(1)*s_r_t2_7 ! cost: 5 flops
57466  s_r(4, 3, 2) = s_r(4, 3, 2) + e_6_4_3*(1)*s_r_t2_8 ! cost: 5 flops
57467  s_r(4, 3, 2) = s_r(4, 3, 2) + e_7_4_3*(1)*s_r_t2_9 ! cost: 5 flops
57468  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
57469  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
57470  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
57471  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
57472  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
57473  s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
57474  s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
57475  s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
57476  s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
57477  s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
57478  s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
57479  s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
57480  s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
57481  s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
57482  s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
57483  s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
57484  s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
57485  s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
57486  s_r(3, 4, 2) = s_r(3, 4, 2) + e_0_3_4*(1)*s_r_t2_2 ! cost: 5 flops
57487  s_r(3, 4, 2) = s_r(3, 4, 2) + e_1_3_4*(1)*s_r_t2_3 ! cost: 5 flops
57488  s_r(3, 4, 2) = s_r(3, 4, 2) + e_2_3_4*(1)*s_r_t2_4 ! cost: 5 flops
57489  s_r(3, 4, 2) = s_r(3, 4, 2) + e_3_3_4*(1)*s_r_t2_5 ! cost: 5 flops
57490  s_r(3, 4, 2) = s_r(3, 4, 2) + e_4_3_4*(1)*s_r_t2_6 ! cost: 5 flops
57491  s_r(3, 4, 2) = s_r(3, 4, 2) + e_5_3_4*(1)*s_r_t2_7 ! cost: 5 flops
57492  s_r(3, 4, 2) = s_r(3, 4, 2) + e_6_3_4*(1)*s_r_t2_8 ! cost: 5 flops
57493  s_r(3, 4, 2) = s_r(3, 4, 2) + e_7_3_4*(1)*s_r_t2_9 ! cost: 5 flops
57494  s_r(4, 4, 2) = s_r(4, 4, 2) + e_0_4_4*(1)*s_r_t2_2 ! cost: 5 flops
57495  s_r(4, 4, 2) = s_r(4, 4, 2) + e_1_4_4*(1)*s_r_t2_3 ! cost: 5 flops
57496  s_r(4, 4, 2) = s_r(4, 4, 2) + e_2_4_4*(1)*s_r_t2_4 ! cost: 5 flops
57497  s_r(4, 4, 2) = s_r(4, 4, 2) + e_3_4_4*(1)*s_r_t2_5 ! cost: 5 flops
57498  s_r(4, 4, 2) = s_r(4, 4, 2) + e_4_4_4*(1)*s_r_t2_6 ! cost: 5 flops
57499  s_r(4, 4, 2) = s_r(4, 4, 2) + e_5_4_4*(1)*s_r_t2_7 ! cost: 5 flops
57500  s_r(4, 4, 2) = s_r(4, 4, 2) + e_6_4_4*(1)*s_r_t2_8 ! cost: 5 flops
57501  s_r(4, 4, 2) = s_r(4, 4, 2) + e_7_4_4*(1)*s_r_t2_9 ! cost: 5 flops
57502  s_r(4, 4, 2) = s_r(4, 4, 2) + e_8_4_4*(1)*s_r_t2_10 ! cost: 5 flops
57503  r1 = r1 + dr
57504  END DO
57505 
57506  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
57507  END SUBROUTINE
57508  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_4_3_exp_0 ( &
57509  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
57510  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
57511  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
57512  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
57513  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
57514  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
57515  r_pow_t, r_tmp, rr1_delta, rr2_delta
57516 
57517  REAL(kind=dp) :: c1, c2, c3
57518  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
57519  & s_r_t_10, s_r_t_11
57520  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
57521  & s_r_t2_9, s_r_t2_10, s_r_t2_11
57522  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
57523  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
57524  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
57525  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
57526  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
57527  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
57528  & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10, h_to_c_0_11,&
57529  & h_to_c_1_11, h_to_c_2_11, h_to_c_3_11, h_to_c_4_11, h_to_c_5_11, h_to_c_6_11, h_to_c_7_11, h_to_c_8_11, h_to_c_9_11,&
57530  & h_to_c_10_11, h_to_c_11_11
57531  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
57532  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
57533  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
57534  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
57535  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
57536  & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
57537  & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3,&
57538  & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
57539  & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4,&
57540  & e_0_4_4, e_1_4_4, e_2_4_4, e_3_4_4, e_4_4_4, e_5_4_4, e_6_4_4, e_7_4_4, e_8_4_4
57541 
57542 
57543  dr = lgth
57544  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
57545 
57546  s_r(:, :, :) = 0.0_dp
57547 
57548  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
57549 
57550  h_to_c_0_0 = sqrt(alpha/pi)
57551 
57552  h_to_c_0_1 = 0.0_dp
57553  h_to_c_1_1 = +2*alpha*h_to_c_0_0
57554  h_to_c_0_2 = -1*h_to_c_1_1
57555  h_to_c_1_2 = +2*alpha*h_to_c_0_1
57556  h_to_c_2_2 = +2*alpha*h_to_c_1_1
57557  h_to_c_0_3 = -1*h_to_c_1_2
57558  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
57559  h_to_c_2_3 = +2*alpha*h_to_c_1_2
57560  h_to_c_3_3 = +2*alpha*h_to_c_2_2
57561  h_to_c_0_4 = -1*h_to_c_1_3
57562  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
57563  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
57564  h_to_c_3_4 = +2*alpha*h_to_c_2_3
57565  h_to_c_4_4 = +2*alpha*h_to_c_3_3
57566  h_to_c_0_5 = -1*h_to_c_1_4
57567  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
57568  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
57569  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
57570  h_to_c_4_5 = +2*alpha*h_to_c_3_4
57571  h_to_c_5_5 = +2*alpha*h_to_c_4_4
57572  h_to_c_0_6 = -1*h_to_c_1_5
57573  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
57574  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
57575  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
57576  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
57577  h_to_c_5_6 = +2*alpha*h_to_c_4_5
57578  h_to_c_6_6 = +2*alpha*h_to_c_5_5
57579  h_to_c_0_7 = -1*h_to_c_1_6
57580  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
57581  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
57582  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
57583  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
57584  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
57585  h_to_c_6_7 = +2*alpha*h_to_c_5_6
57586  h_to_c_7_7 = +2*alpha*h_to_c_6_6
57587  h_to_c_0_8 = -1*h_to_c_1_7
57588  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
57589  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
57590  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
57591  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
57592  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
57593  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
57594  h_to_c_7_8 = +2*alpha*h_to_c_6_7
57595  h_to_c_8_8 = +2*alpha*h_to_c_7_7
57596  h_to_c_0_9 = -1*h_to_c_1_8
57597  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
57598  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
57599  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
57600  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
57601  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
57602  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
57603  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
57604  h_to_c_8_9 = +2*alpha*h_to_c_7_8
57605  h_to_c_9_9 = +2*alpha*h_to_c_8_8
57606  h_to_c_0_10 = -1*h_to_c_1_9
57607  h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
57608  h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
57609  h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
57610  h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
57611  h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
57612  h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
57613  h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
57614  h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
57615  h_to_c_9_10 = +2*alpha*h_to_c_8_9
57616  h_to_c_10_10 = +2*alpha*h_to_c_9_9
57617  h_to_c_0_11 = -1*h_to_c_1_10
57618  h_to_c_1_11 = -2*h_to_c_2_10 +2*alpha*h_to_c_0_10
57619  h_to_c_2_11 = -3*h_to_c_3_10 +2*alpha*h_to_c_1_10
57620  h_to_c_3_11 = -4*h_to_c_4_10 +2*alpha*h_to_c_2_10
57621  h_to_c_4_11 = -5*h_to_c_5_10 +2*alpha*h_to_c_3_10
57622  h_to_c_5_11 = -6*h_to_c_6_10 +2*alpha*h_to_c_4_10
57623  h_to_c_6_11 = -7*h_to_c_7_10 +2*alpha*h_to_c_5_10
57624  h_to_c_7_11 = -8*h_to_c_8_10 +2*alpha*h_to_c_6_10
57625  h_to_c_8_11 = -9*h_to_c_9_10 +2*alpha*h_to_c_7_10
57626  h_to_c_9_11 = -10*h_to_c_10_10 +2*alpha*h_to_c_8_10
57627  h_to_c_10_11 = +2*alpha*h_to_c_9_10
57628  h_to_c_11_11 = +2*alpha*h_to_c_10_10
57629 
57630 
57631  rr1_delta = (ra - rb)/dr
57632 
57633  rr1_l = ceiling(-r_c(1) + rr1_delta)
57634  rr1_r = floor(r_c(1) + rr1_delta)
57635 
57636  r1 = rr1_l*dr
57637 
57638  alpha_e = zeta*zetb/(zeta + zetb)
57639 
57640  DO rr1 = rr1_l, rr1_r
57641  s_r_t_0 = 0.0_dp
57642  s_r_t2_0 = 0.0_dp
57643  s_r_t_1 = 0.0_dp
57644  s_r_t2_1 = 0.0_dp
57645  s_r_t_2 = 0.0_dp
57646  s_r_t2_2 = 0.0_dp
57647  s_r_t_3 = 0.0_dp
57648  s_r_t2_3 = 0.0_dp
57649  s_r_t_4 = 0.0_dp
57650  s_r_t2_4 = 0.0_dp
57651  s_r_t_5 = 0.0_dp
57652  s_r_t2_5 = 0.0_dp
57653  s_r_t_6 = 0.0_dp
57654  s_r_t2_6 = 0.0_dp
57655  s_r_t_7 = 0.0_dp
57656  s_r_t2_7 = 0.0_dp
57657  s_r_t_8 = 0.0_dp
57658  s_r_t2_8 = 0.0_dp
57659  s_r_t_9 = 0.0_dp
57660  s_r_t2_9 = 0.0_dp
57661  s_r_t_10 = 0.0_dp
57662  s_r_t2_10 = 0.0_dp
57663  s_r_t_11 = 0.0_dp
57664  s_r_t2_11 = 0.0_dp
57665  r_tmp = r_offset + r1*zeta/(zeta + zetb)
57666  rr2_delta = -r_tmp/dr
57667 
57668  rr2_l = ceiling(-r_c(2) + rr2_delta)
57669  rr2_r = floor(r_c(2) + rr2_delta)
57670 
57671  r = r_tmp + (rr2_l)*dr
57672 
57673 
57674  DO rr2 = rr2_l, rr2_r
57675  r_pow_t = 1.0_dp
57676  exp2_rsq = exp(-alpha*r*r)
57677  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
57678  r_pow_t = r_pow_t*r
57679  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
57680  r_pow_t = r_pow_t*r
57681  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
57682  r_pow_t = r_pow_t*r
57683  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
57684  r_pow_t = r_pow_t*r
57685  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
57686  r_pow_t = r_pow_t*r
57687  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
57688  r_pow_t = r_pow_t*r
57689  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
57690  r_pow_t = r_pow_t*r
57691  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
57692  r_pow_t = r_pow_t*r
57693  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
57694  r_pow_t = r_pow_t*r
57695  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
57696  r_pow_t = r_pow_t*r
57697  s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
57698  r_pow_t = r_pow_t*r
57699  s_r_t_11 = s_r_t_11+r_pow_t*exp2_rsq
57700 
57701  r = r + dr
57702  END DO
57703 
57704  ! C --> H
57705  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
57706  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
57707  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
57708  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
57709  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
57710  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
57711  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
57712  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
57713  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
57714  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
57715  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
57716  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
57717  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
57718  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
57719  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
57720  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
57721  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
57722  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
57723  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
57724  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
57725  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
57726  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
57727  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
57728  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
57729  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
57730  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
57731  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
57732  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
57733  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
57734  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
57735  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
57736  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
57737  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
57738  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
57739  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
57740  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
57741  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
57742  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
57743  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
57744  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
57745  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
57746  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
57747  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
57748  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
57749  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
57750  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
57751  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
57752  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
57753  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
57754  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
57755  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
57756  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
57757  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
57758  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
57759  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
57760  s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
57761  s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
57762  s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
57763  s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
57764  s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
57765  s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
57766  s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
57767  s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
57768  s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
57769  s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
57770  s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
57771  s_r_t2_11 = s_r_t2_11+h_to_c_0_11*s_r_t_0
57772  s_r_t2_11 = s_r_t2_11+h_to_c_1_11*s_r_t_1
57773  s_r_t2_11 = s_r_t2_11+h_to_c_2_11*s_r_t_2
57774  s_r_t2_11 = s_r_t2_11+h_to_c_3_11*s_r_t_3
57775  s_r_t2_11 = s_r_t2_11+h_to_c_4_11*s_r_t_4
57776  s_r_t2_11 = s_r_t2_11+h_to_c_5_11*s_r_t_5
57777  s_r_t2_11 = s_r_t2_11+h_to_c_6_11*s_r_t_6
57778  s_r_t2_11 = s_r_t2_11+h_to_c_7_11*s_r_t_7
57779  s_r_t2_11 = s_r_t2_11+h_to_c_8_11*s_r_t_8
57780  s_r_t2_11 = s_r_t2_11+h_to_c_9_11*s_r_t_9
57781  s_r_t2_11 = s_r_t2_11+h_to_c_10_11*s_r_t_10
57782  s_r_t2_11 = s_r_t2_11+h_to_c_11_11*s_r_t_11
57783 
57784  ! H --> HH
57785  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
57786 
57787  c1 = 1.0_dp/(zeta + zetb)
57788  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
57789  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
57790 
57791  e_0_1_0 = zeta*( &
57792  +c2*e_0_0_0&
57793 
57794  )
57795  e_0_0_1 = zetb*( &
57796  +c3*e_0_0_0&
57797 
57798  )
57799  e_1_1_0 = zeta*( c1*e_0_0_0 &
57800 
57801 
57802  )
57803  e_1_0_1 = zetb*( c1*e_0_0_0 &
57804 
57805 
57806  )
57807  e_0_2_0 = zeta*( &
57808  +c2*e_0_1_0&
57809  +2*e_1_1_0 &
57810  -2*e_0_0_0)
57811  e_0_1_1 = zetb*( &
57812  +c3*e_0_1_0&
57813  +2*e_1_1_0 &
57814  )
57815  e_1_2_0 = zeta*( c1*e_0_1_0 &
57816  +c2*e_1_1_0&
57817 
57818  )
57819  e_1_1_1 = zetb*( c1*e_0_1_0 &
57820  +c3*e_1_1_0&
57821 
57822  )
57823  e_2_2_0 = zeta*( c1*e_1_1_0 &
57824 
57825 
57826  )
57827  e_2_1_1 = zetb*( c1*e_1_1_0 &
57828 
57829 
57830  )
57831  e_0_3_0 = zeta*( &
57832  +c2*e_0_2_0&
57833  +2*e_1_2_0 &
57834  -4*e_0_1_0)
57835  e_0_2_1 = zetb*( &
57836  +c3*e_0_2_0&
57837  +2*e_1_2_0 &
57838  )
57839  e_1_3_0 = zeta*( c1*e_0_2_0 &
57840  +c2*e_1_2_0&
57841  +4*e_2_2_0 &
57842  -4*e_1_1_0)
57843  e_1_2_1 = zetb*( c1*e_0_2_0 &
57844  +c3*e_1_2_0&
57845  +4*e_2_2_0 &
57846  )
57847  e_2_3_0 = zeta*( c1*e_1_2_0 &
57848  +c2*e_2_2_0&
57849 
57850  )
57851  e_2_2_1 = zetb*( c1*e_1_2_0 &
57852  +c3*e_2_2_0&
57853 
57854  )
57855  e_3_3_0 = zeta*( c1*e_2_2_0 &
57856 
57857 
57858  )
57859  e_3_2_1 = zetb*( c1*e_2_2_0 &
57860 
57861 
57862  )
57863  e_0_4_0 = zeta*( &
57864  +c2*e_0_3_0&
57865  +2*e_1_3_0 &
57866  -6*e_0_2_0)
57867  e_0_3_1 = zetb*( &
57868  +c3*e_0_3_0&
57869  +2*e_1_3_0 &
57870  )
57871  e_1_4_0 = zeta*( c1*e_0_3_0 &
57872  +c2*e_1_3_0&
57873  +4*e_2_3_0 &
57874  -6*e_1_2_0)
57875  e_1_3_1 = zetb*( c1*e_0_3_0 &
57876  +c3*e_1_3_0&
57877  +4*e_2_3_0 &
57878  )
57879  e_2_4_0 = zeta*( c1*e_1_3_0 &
57880  +c2*e_2_3_0&
57881  +6*e_3_3_0 &
57882  -6*e_2_2_0)
57883  e_2_3_1 = zetb*( c1*e_1_3_0 &
57884  +c3*e_2_3_0&
57885  +6*e_3_3_0 &
57886  )
57887  e_3_4_0 = zeta*( c1*e_2_3_0 &
57888  +c2*e_3_3_0&
57889 
57890  )
57891  e_3_3_1 = zetb*( c1*e_2_3_0 &
57892  +c3*e_3_3_0&
57893 
57894  )
57895  e_4_4_0 = zeta*( c1*e_3_3_0 &
57896 
57897 
57898  )
57899  e_4_3_1 = zetb*( c1*e_3_3_0 &
57900 
57901 
57902  )
57903  e_0_4_1 = zetb*( &
57904  +c3*e_0_4_0&
57905  +2*e_1_4_0 &
57906  )
57907  e_1_4_1 = zetb*( c1*e_0_4_0 &
57908  +c3*e_1_4_0&
57909  +4*e_2_4_0 &
57910  )
57911  e_2_4_1 = zetb*( c1*e_1_4_0 &
57912  +c3*e_2_4_0&
57913  +6*e_3_4_0 &
57914  )
57915  e_3_4_1 = zetb*( c1*e_2_4_0 &
57916  +c3*e_3_4_0&
57917  +8*e_4_4_0 &
57918  )
57919  e_4_4_1 = zetb*( c1*e_3_4_0 &
57920  +c3*e_4_4_0&
57921 
57922  )
57923  e_5_4_1 = zetb*( c1*e_4_4_0 &
57924 
57925 
57926  )
57927  e_0_1_1 = zeta*( &
57928  +c2*e_0_0_1&
57929  +2*e_1_0_1 &
57930  )
57931  e_0_0_2 = zetb*( &
57932  +c3*e_0_0_1&
57933  +2*e_1_0_1 &
57934  -2*e_0_0_0)
57935  e_1_1_1 = zeta*( c1*e_0_0_1 &
57936  +c2*e_1_0_1&
57937 
57938  )
57939  e_1_0_2 = zetb*( c1*e_0_0_1 &
57940  +c3*e_1_0_1&
57941 
57942  )
57943  e_2_1_1 = zeta*( c1*e_1_0_1 &
57944 
57945 
57946  )
57947  e_2_0_2 = zetb*( c1*e_1_0_1 &
57948 
57949 
57950  )
57951  e_0_2_1 = zeta*( &
57952  +c2*e_0_1_1&
57953  +2*e_1_1_1 &
57954  -2*e_0_0_1)
57955  e_0_1_2 = zetb*( &
57956  +c3*e_0_1_1&
57957  +2*e_1_1_1 &
57958  -2*e_0_1_0)
57959  e_1_2_1 = zeta*( c1*e_0_1_1 &
57960  +c2*e_1_1_1&
57961  +4*e_2_1_1 &
57962  -2*e_1_0_1)
57963  e_1_1_2 = zetb*( c1*e_0_1_1 &
57964  +c3*e_1_1_1&
57965  +4*e_2_1_1 &
57966  -2*e_1_1_0)
57967  e_2_2_1 = zeta*( c1*e_1_1_1 &
57968  +c2*e_2_1_1&
57969 
57970  )
57971  e_2_1_2 = zetb*( c1*e_1_1_1 &
57972  +c3*e_2_1_1&
57973 
57974  )
57975  e_3_2_1 = zeta*( c1*e_2_1_1 &
57976 
57977 
57978  )
57979  e_3_1_2 = zetb*( c1*e_2_1_1 &
57980 
57981 
57982  )
57983  e_0_3_1 = zeta*( &
57984  +c2*e_0_2_1&
57985  +2*e_1_2_1 &
57986  -4*e_0_1_1)
57987  e_0_2_2 = zetb*( &
57988  +c3*e_0_2_1&
57989  +2*e_1_2_1 &
57990  -2*e_0_2_0)
57991  e_1_3_1 = zeta*( c1*e_0_2_1 &
57992  +c2*e_1_2_1&
57993  +4*e_2_2_1 &
57994  -4*e_1_1_1)
57995  e_1_2_2 = zetb*( c1*e_0_2_1 &
57996  +c3*e_1_2_1&
57997  +4*e_2_2_1 &
57998  -2*e_1_2_0)
57999  e_2_3_1 = zeta*( c1*e_1_2_1 &
58000  +c2*e_2_2_1&
58001  +6*e_3_2_1 &
58002  -4*e_2_1_1)
58003  e_2_2_2 = zetb*( c1*e_1_2_1 &
58004  +c3*e_2_2_1&
58005  +6*e_3_2_1 &
58006  -2*e_2_2_0)
58007  e_3_3_1 = zeta*( c1*e_2_2_1 &
58008  +c2*e_3_2_1&
58009 
58010  )
58011  e_3_2_2 = zetb*( c1*e_2_2_1 &
58012  +c3*e_3_2_1&
58013 
58014  )
58015  e_4_3_1 = zeta*( c1*e_3_2_1 &
58016 
58017 
58018  )
58019  e_4_2_2 = zetb*( c1*e_3_2_1 &
58020 
58021 
58022  )
58023  e_0_4_1 = zeta*( &
58024  +c2*e_0_3_1&
58025  +2*e_1_3_1 &
58026  -6*e_0_2_1)
58027  e_0_3_2 = zetb*( &
58028  +c3*e_0_3_1&
58029  +2*e_1_3_1 &
58030  -2*e_0_3_0)
58031  e_1_4_1 = zeta*( c1*e_0_3_1 &
58032  +c2*e_1_3_1&
58033  +4*e_2_3_1 &
58034  -6*e_1_2_1)
58035  e_1_3_2 = zetb*( c1*e_0_3_1 &
58036  +c3*e_1_3_1&
58037  +4*e_2_3_1 &
58038  -2*e_1_3_0)
58039  e_2_4_1 = zeta*( c1*e_1_3_1 &
58040  +c2*e_2_3_1&
58041  +6*e_3_3_1 &
58042  -6*e_2_2_1)
58043  e_2_3_2 = zetb*( c1*e_1_3_1 &
58044  +c3*e_2_3_1&
58045  +6*e_3_3_1 &
58046  -2*e_2_3_0)
58047  e_3_4_1 = zeta*( c1*e_2_3_1 &
58048  +c2*e_3_3_1&
58049  +8*e_4_3_1 &
58050  -6*e_3_2_1)
58051  e_3_3_2 = zetb*( c1*e_2_3_1 &
58052  +c3*e_3_3_1&
58053  +8*e_4_3_1 &
58054  -2*e_3_3_0)
58055  e_4_4_1 = zeta*( c1*e_3_3_1 &
58056  +c2*e_4_3_1&
58057 
58058  )
58059  e_4_3_2 = zetb*( c1*e_3_3_1 &
58060  +c3*e_4_3_1&
58061 
58062  )
58063  e_5_4_1 = zeta*( c1*e_4_3_1 &
58064 
58065 
58066  )
58067  e_5_3_2 = zetb*( c1*e_4_3_1 &
58068 
58069 
58070  )
58071  e_0_4_2 = zetb*( &
58072  +c3*e_0_4_1&
58073  +2*e_1_4_1 &
58074  -2*e_0_4_0)
58075  e_1_4_2 = zetb*( c1*e_0_4_1 &
58076  +c3*e_1_4_1&
58077  +4*e_2_4_1 &
58078  -2*e_1_4_0)
58079  e_2_4_2 = zetb*( c1*e_1_4_1 &
58080  +c3*e_2_4_1&
58081  +6*e_3_4_1 &
58082  -2*e_2_4_0)
58083  e_3_4_2 = zetb*( c1*e_2_4_1 &
58084  +c3*e_3_4_1&
58085  +8*e_4_4_1 &
58086  -2*e_3_4_0)
58087  e_4_4_2 = zetb*( c1*e_3_4_1 &
58088  +c3*e_4_4_1&
58089  +10*e_5_4_1 &
58090  -2*e_4_4_0)
58091  e_5_4_2 = zetb*( c1*e_4_4_1 &
58092  +c3*e_5_4_1&
58093 
58094  )
58095  e_6_4_2 = zetb*( c1*e_5_4_1 &
58096 
58097 
58098  )
58099  e_0_1_2 = zeta*( &
58100  +c2*e_0_0_2&
58101  +2*e_1_0_2 &
58102  )
58103  e_0_0_3 = zetb*( &
58104  +c3*e_0_0_2&
58105  +2*e_1_0_2 &
58106  -4*e_0_0_1)
58107  e_1_1_2 = zeta*( c1*e_0_0_2 &
58108  +c2*e_1_0_2&
58109  +4*e_2_0_2 &
58110  )
58111  e_1_0_3 = zetb*( c1*e_0_0_2 &
58112  +c3*e_1_0_2&
58113  +4*e_2_0_2 &
58114  -4*e_1_0_1)
58115  e_2_1_2 = zeta*( c1*e_1_0_2 &
58116  +c2*e_2_0_2&
58117 
58118  )
58119  e_2_0_3 = zetb*( c1*e_1_0_2 &
58120  +c3*e_2_0_2&
58121 
58122  )
58123  e_3_1_2 = zeta*( c1*e_2_0_2 &
58124 
58125 
58126  )
58127  e_3_0_3 = zetb*( c1*e_2_0_2 &
58128 
58129 
58130  )
58131  e_0_2_2 = zeta*( &
58132  +c2*e_0_1_2&
58133  +2*e_1_1_2 &
58134  -2*e_0_0_2)
58135  e_0_1_3 = zetb*( &
58136  +c3*e_0_1_2&
58137  +2*e_1_1_2 &
58138  -4*e_0_1_1)
58139  e_1_2_2 = zeta*( c1*e_0_1_2 &
58140  +c2*e_1_1_2&
58141  +4*e_2_1_2 &
58142  -2*e_1_0_2)
58143  e_1_1_3 = zetb*( c1*e_0_1_2 &
58144  +c3*e_1_1_2&
58145  +4*e_2_1_2 &
58146  -4*e_1_1_1)
58147  e_2_2_2 = zeta*( c1*e_1_1_2 &
58148  +c2*e_2_1_2&
58149  +6*e_3_1_2 &
58150  -2*e_2_0_2)
58151  e_2_1_3 = zetb*( c1*e_1_1_2 &
58152  +c3*e_2_1_2&
58153  +6*e_3_1_2 &
58154  -4*e_2_1_1)
58155  e_3_2_2 = zeta*( c1*e_2_1_2 &
58156  +c2*e_3_1_2&
58157 
58158  )
58159  e_3_1_3 = zetb*( c1*e_2_1_2 &
58160  +c3*e_3_1_2&
58161 
58162  )
58163  e_4_2_2 = zeta*( c1*e_3_1_2 &
58164 
58165 
58166  )
58167  e_4_1_3 = zetb*( c1*e_3_1_2 &
58168 
58169 
58170  )
58171  e_0_3_2 = zeta*( &
58172  +c2*e_0_2_2&
58173  +2*e_1_2_2 &
58174  -4*e_0_1_2)
58175  e_0_2_3 = zetb*( &
58176  +c3*e_0_2_2&
58177  +2*e_1_2_2 &
58178  -4*e_0_2_1)
58179  e_1_3_2 = zeta*( c1*e_0_2_2 &
58180  +c2*e_1_2_2&
58181  +4*e_2_2_2 &
58182  -4*e_1_1_2)
58183  e_1_2_3 = zetb*( c1*e_0_2_2 &
58184  +c3*e_1_2_2&
58185  +4*e_2_2_2 &
58186  -4*e_1_2_1)
58187  e_2_3_2 = zeta*( c1*e_1_2_2 &
58188  +c2*e_2_2_2&
58189  +6*e_3_2_2 &
58190  -4*e_2_1_2)
58191  e_2_2_3 = zetb*( c1*e_1_2_2 &
58192  +c3*e_2_2_2&
58193  +6*e_3_2_2 &
58194  -4*e_2_2_1)
58195  e_3_3_2 = zeta*( c1*e_2_2_2 &
58196  +c2*e_3_2_2&
58197  +8*e_4_2_2 &
58198  -4*e_3_1_2)
58199  e_3_2_3 = zetb*( c1*e_2_2_2 &
58200  +c3*e_3_2_2&
58201  +8*e_4_2_2 &
58202  -4*e_3_2_1)
58203  e_4_3_2 = zeta*( c1*e_3_2_2 &
58204  +c2*e_4_2_2&
58205 
58206  )
58207  e_4_2_3 = zetb*( c1*e_3_2_2 &
58208  +c3*e_4_2_2&
58209 
58210  )
58211  e_5_3_2 = zeta*( c1*e_4_2_2 &
58212 
58213 
58214  )
58215  e_5_2_3 = zetb*( c1*e_4_2_2 &
58216 
58217 
58218  )
58219  e_0_4_2 = zeta*( &
58220  +c2*e_0_3_2&
58221  +2*e_1_3_2 &
58222  -6*e_0_2_2)
58223  e_0_3_3 = zetb*( &
58224  +c3*e_0_3_2&
58225  +2*e_1_3_2 &
58226  -4*e_0_3_1)
58227  e_1_4_2 = zeta*( c1*e_0_3_2 &
58228  +c2*e_1_3_2&
58229  +4*e_2_3_2 &
58230  -6*e_1_2_2)
58231  e_1_3_3 = zetb*( c1*e_0_3_2 &
58232  +c3*e_1_3_2&
58233  +4*e_2_3_2 &
58234  -4*e_1_3_1)
58235  e_2_4_2 = zeta*( c1*e_1_3_2 &
58236  +c2*e_2_3_2&
58237  +6*e_3_3_2 &
58238  -6*e_2_2_2)
58239  e_2_3_3 = zetb*( c1*e_1_3_2 &
58240  +c3*e_2_3_2&
58241  +6*e_3_3_2 &
58242  -4*e_2_3_1)
58243  e_3_4_2 = zeta*( c1*e_2_3_2 &
58244  +c2*e_3_3_2&
58245  +8*e_4_3_2 &
58246  -6*e_3_2_2)
58247  e_3_3_3 = zetb*( c1*e_2_3_2 &
58248  +c3*e_3_3_2&
58249  +8*e_4_3_2 &
58250  -4*e_3_3_1)
58251  e_4_4_2 = zeta*( c1*e_3_3_2 &
58252  +c2*e_4_3_2&
58253  +10*e_5_3_2 &
58254  -6*e_4_2_2)
58255  e_4_3_3 = zetb*( c1*e_3_3_2 &
58256  +c3*e_4_3_2&
58257  +10*e_5_3_2 &
58258  -4*e_4_3_1)
58259  e_5_4_2 = zeta*( c1*e_4_3_2 &
58260  +c2*e_5_3_2&
58261 
58262  )
58263  e_5_3_3 = zetb*( c1*e_4_3_2 &
58264  +c3*e_5_3_2&
58265 
58266  )
58267  e_6_4_2 = zeta*( c1*e_5_3_2 &
58268 
58269 
58270  )
58271  e_6_3_3 = zetb*( c1*e_5_3_2 &
58272 
58273 
58274  )
58275  e_0_4_3 = zetb*( &
58276  +c3*e_0_4_2&
58277  +2*e_1_4_2 &
58278  -4*e_0_4_1)
58279  e_1_4_3 = zetb*( c1*e_0_4_2 &
58280  +c3*e_1_4_2&
58281  +4*e_2_4_2 &
58282  -4*e_1_4_1)
58283  e_2_4_3 = zetb*( c1*e_1_4_2 &
58284  +c3*e_2_4_2&
58285  +6*e_3_4_2 &
58286  -4*e_2_4_1)
58287  e_3_4_3 = zetb*( c1*e_2_4_2 &
58288  +c3*e_3_4_2&
58289  +8*e_4_4_2 &
58290  -4*e_3_4_1)
58291  e_4_4_3 = zetb*( c1*e_3_4_2 &
58292  +c3*e_4_4_2&
58293  +10*e_5_4_2 &
58294  -4*e_4_4_1)
58295  e_5_4_3 = zetb*( c1*e_4_4_2 &
58296  +c3*e_5_4_2&
58297  +12*e_6_4_2 &
58298  -4*e_5_4_1)
58299  e_6_4_3 = zetb*( c1*e_5_4_2 &
58300  +c3*e_6_4_2&
58301 
58302  )
58303  e_7_4_3 = zetb*( c1*e_6_4_2 &
58304 
58305 
58306  )
58307  e_0_1_3 = zeta*( &
58308  +c2*e_0_0_3&
58309  +2*e_1_0_3 &
58310  )
58311  e_0_0_4 = zetb*( &
58312  +c3*e_0_0_3&
58313  +2*e_1_0_3 &
58314  -6*e_0_0_2)
58315  e_1_1_3 = zeta*( c1*e_0_0_3 &
58316  +c2*e_1_0_3&
58317  +4*e_2_0_3 &
58318  )
58319  e_1_0_4 = zetb*( c1*e_0_0_3 &
58320  +c3*e_1_0_3&
58321  +4*e_2_0_3 &
58322  -6*e_1_0_2)
58323  e_2_1_3 = zeta*( c1*e_1_0_3 &
58324  +c2*e_2_0_3&
58325  +6*e_3_0_3 &
58326  )
58327  e_2_0_4 = zetb*( c1*e_1_0_3 &
58328  +c3*e_2_0_3&
58329  +6*e_3_0_3 &
58330  -6*e_2_0_2)
58331  e_3_1_3 = zeta*( c1*e_2_0_3 &
58332  +c2*e_3_0_3&
58333 
58334  )
58335  e_3_0_4 = zetb*( c1*e_2_0_3 &
58336  +c3*e_3_0_3&
58337 
58338  )
58339  e_4_1_3 = zeta*( c1*e_3_0_3 &
58340 
58341 
58342  )
58343  e_4_0_4 = zetb*( c1*e_3_0_3 &
58344 
58345 
58346  )
58347  e_0_2_3 = zeta*( &
58348  +c2*e_0_1_3&
58349  +2*e_1_1_3 &
58350  -2*e_0_0_3)
58351  e_0_1_4 = zetb*( &
58352  +c3*e_0_1_3&
58353  +2*e_1_1_3 &
58354  -6*e_0_1_2)
58355  e_1_2_3 = zeta*( c1*e_0_1_3 &
58356  +c2*e_1_1_3&
58357  +4*e_2_1_3 &
58358  -2*e_1_0_3)
58359  e_1_1_4 = zetb*( c1*e_0_1_3 &
58360  +c3*e_1_1_3&
58361  +4*e_2_1_3 &
58362  -6*e_1_1_2)
58363  e_2_2_3 = zeta*( c1*e_1_1_3 &
58364  +c2*e_2_1_3&
58365  +6*e_3_1_3 &
58366  -2*e_2_0_3)
58367  e_2_1_4 = zetb*( c1*e_1_1_3 &
58368  +c3*e_2_1_3&
58369  +6*e_3_1_3 &
58370  -6*e_2_1_2)
58371  e_3_2_3 = zeta*( c1*e_2_1_3 &
58372  +c2*e_3_1_3&
58373  +8*e_4_1_3 &
58374  -2*e_3_0_3)
58375  e_3_1_4 = zetb*( c1*e_2_1_3 &
58376  +c3*e_3_1_3&
58377  +8*e_4_1_3 &
58378  -6*e_3_1_2)
58379  e_4_2_3 = zeta*( c1*e_3_1_3 &
58380  +c2*e_4_1_3&
58381 
58382  )
58383  e_4_1_4 = zetb*( c1*e_3_1_3 &
58384  +c3*e_4_1_3&
58385 
58386  )
58387  e_5_2_3 = zeta*( c1*e_4_1_3 &
58388 
58389 
58390  )
58391  e_5_1_4 = zetb*( c1*e_4_1_3 &
58392 
58393 
58394  )
58395  e_0_3_3 = zeta*( &
58396  +c2*e_0_2_3&
58397  +2*e_1_2_3 &
58398  -4*e_0_1_3)
58399  e_0_2_4 = zetb*( &
58400  +c3*e_0_2_3&
58401  +2*e_1_2_3 &
58402  -6*e_0_2_2)
58403  e_1_3_3 = zeta*( c1*e_0_2_3 &
58404  +c2*e_1_2_3&
58405  +4*e_2_2_3 &
58406  -4*e_1_1_3)
58407  e_1_2_4 = zetb*( c1*e_0_2_3 &
58408  +c3*e_1_2_3&
58409  +4*e_2_2_3 &
58410  -6*e_1_2_2)
58411  e_2_3_3 = zeta*( c1*e_1_2_3 &
58412  +c2*e_2_2_3&
58413  +6*e_3_2_3 &
58414  -4*e_2_1_3)
58415  e_2_2_4 = zetb*( c1*e_1_2_3 &
58416  +c3*e_2_2_3&
58417  +6*e_3_2_3 &
58418  -6*e_2_2_2)
58419  e_3_3_3 = zeta*( c1*e_2_2_3 &
58420  +c2*e_3_2_3&
58421  +8*e_4_2_3 &
58422  -4*e_3_1_3)
58423  e_3_2_4 = zetb*( c1*e_2_2_3 &
58424  +c3*e_3_2_3&
58425  +8*e_4_2_3 &
58426  -6*e_3_2_2)
58427  e_4_3_3 = zeta*( c1*e_3_2_3 &
58428  +c2*e_4_2_3&
58429  +10*e_5_2_3 &
58430  -4*e_4_1_3)
58431  e_4_2_4 = zetb*( c1*e_3_2_3 &
58432  +c3*e_4_2_3&
58433  +10*e_5_2_3 &
58434  -6*e_4_2_2)
58435  e_5_3_3 = zeta*( c1*e_4_2_3 &
58436  +c2*e_5_2_3&
58437 
58438  )
58439  e_5_2_4 = zetb*( c1*e_4_2_3 &
58440  +c3*e_5_2_3&
58441 
58442  )
58443  e_6_3_3 = zeta*( c1*e_5_2_3 &
58444 
58445 
58446  )
58447  e_6_2_4 = zetb*( c1*e_5_2_3 &
58448 
58449 
58450  )
58451  e_0_4_3 = zeta*( &
58452  +c2*e_0_3_3&
58453  +2*e_1_3_3 &
58454  -6*e_0_2_3)
58455  e_0_3_4 = zetb*( &
58456  +c3*e_0_3_3&
58457  +2*e_1_3_3 &
58458  -6*e_0_3_2)
58459  e_1_4_3 = zeta*( c1*e_0_3_3 &
58460  +c2*e_1_3_3&
58461  +4*e_2_3_3 &
58462  -6*e_1_2_3)
58463  e_1_3_4 = zetb*( c1*e_0_3_3 &
58464  +c3*e_1_3_3&
58465  +4*e_2_3_3 &
58466  -6*e_1_3_2)
58467  e_2_4_3 = zeta*( c1*e_1_3_3 &
58468  +c2*e_2_3_3&
58469  +6*e_3_3_3 &
58470  -6*e_2_2_3)
58471  e_2_3_4 = zetb*( c1*e_1_3_3 &
58472  +c3*e_2_3_3&
58473  +6*e_3_3_3 &
58474  -6*e_2_3_2)
58475  e_3_4_3 = zeta*( c1*e_2_3_3 &
58476  +c2*e_3_3_3&
58477  +8*e_4_3_3 &
58478  -6*e_3_2_3)
58479  e_3_3_4 = zetb*( c1*e_2_3_3 &
58480  +c3*e_3_3_3&
58481  +8*e_4_3_3 &
58482  -6*e_3_3_2)
58483  e_4_4_3 = zeta*( c1*e_3_3_3 &
58484  +c2*e_4_3_3&
58485  +10*e_5_3_3 &
58486  -6*e_4_2_3)
58487  e_4_3_4 = zetb*( c1*e_3_3_3 &
58488  +c3*e_4_3_3&
58489  +10*e_5_3_3 &
58490  -6*e_4_3_2)
58491  e_5_4_3 = zeta*( c1*e_4_3_3 &
58492  +c2*e_5_3_3&
58493  +12*e_6_3_3 &
58494  -6*e_5_2_3)
58495  e_5_3_4 = zetb*( c1*e_4_3_3 &
58496  +c3*e_5_3_3&
58497  +12*e_6_3_3 &
58498  -6*e_5_3_2)
58499  e_6_4_3 = zeta*( c1*e_5_3_3 &
58500  +c2*e_6_3_3&
58501 
58502  )
58503  e_6_3_4 = zetb*( c1*e_5_3_3 &
58504  +c3*e_6_3_3&
58505 
58506  )
58507  e_7_4_3 = zeta*( c1*e_6_3_3 &
58508 
58509 
58510  )
58511  e_7_3_4 = zetb*( c1*e_6_3_3 &
58512 
58513 
58514  )
58515  e_0_4_4 = zetb*( &
58516  +c3*e_0_4_3&
58517  +2*e_1_4_3 &
58518  -6*e_0_4_2)
58519  e_1_4_4 = zetb*( c1*e_0_4_3 &
58520  +c3*e_1_4_3&
58521  +4*e_2_4_3 &
58522  -6*e_1_4_2)
58523  e_2_4_4 = zetb*( c1*e_1_4_3 &
58524  +c3*e_2_4_3&
58525  +6*e_3_4_3 &
58526  -6*e_2_4_2)
58527  e_3_4_4 = zetb*( c1*e_2_4_3 &
58528  +c3*e_3_4_3&
58529  +8*e_4_4_3 &
58530  -6*e_3_4_2)
58531  e_4_4_4 = zetb*( c1*e_3_4_3 &
58532  +c3*e_4_4_3&
58533  +10*e_5_4_3 &
58534  -6*e_4_4_2)
58535  e_5_4_4 = zetb*( c1*e_4_4_3 &
58536  +c3*e_5_4_3&
58537  +12*e_6_4_3 &
58538  -6*e_5_4_2)
58539  e_6_4_4 = zetb*( c1*e_5_4_3 &
58540  +c3*e_6_4_3&
58541  +14*e_7_4_3 &
58542  -6*e_6_4_2)
58543  e_7_4_4 = zetb*( c1*e_6_4_3 &
58544  +c3*e_7_4_3&
58545 
58546  )
58547  e_8_4_4 = zetb*( c1*e_7_4_3 &
58548 
58549 
58550  )
58551  e_0_1_4 = zeta*( &
58552  +c2*e_0_0_4&
58553  +2*e_1_0_4 &
58554  )
58555  e_1_1_4 = zeta*( c1*e_0_0_4 &
58556  +c2*e_1_0_4&
58557  +4*e_2_0_4 &
58558  )
58559  e_2_1_4 = zeta*( c1*e_1_0_4 &
58560  +c2*e_2_0_4&
58561  +6*e_3_0_4 &
58562  )
58563  e_3_1_4 = zeta*( c1*e_2_0_4 &
58564  +c2*e_3_0_4&
58565  +8*e_4_0_4 &
58566  )
58567  e_4_1_4 = zeta*( c1*e_3_0_4 &
58568  +c2*e_4_0_4&
58569 
58570  )
58571  e_5_1_4 = zeta*( c1*e_4_0_4 &
58572 
58573 
58574  )
58575  e_0_2_4 = zeta*( &
58576  +c2*e_0_1_4&
58577  +2*e_1_1_4 &
58578  -2*e_0_0_4)
58579  e_1_2_4 = zeta*( c1*e_0_1_4 &
58580  +c2*e_1_1_4&
58581  +4*e_2_1_4 &
58582  -2*e_1_0_4)
58583  e_2_2_4 = zeta*( c1*e_1_1_4 &
58584  +c2*e_2_1_4&
58585  +6*e_3_1_4 &
58586  -2*e_2_0_4)
58587  e_3_2_4 = zeta*( c1*e_2_1_4 &
58588  +c2*e_3_1_4&
58589  +8*e_4_1_4 &
58590  -2*e_3_0_4)
58591  e_4_2_4 = zeta*( c1*e_3_1_4 &
58592  +c2*e_4_1_4&
58593  +10*e_5_1_4 &
58594  -2*e_4_0_4)
58595  e_5_2_4 = zeta*( c1*e_4_1_4 &
58596  +c2*e_5_1_4&
58597 
58598  )
58599  e_6_2_4 = zeta*( c1*e_5_1_4 &
58600 
58601 
58602  )
58603  e_0_3_4 = zeta*( &
58604  +c2*e_0_2_4&
58605  +2*e_1_2_4 &
58606  -4*e_0_1_4)
58607  e_1_3_4 = zeta*( c1*e_0_2_4 &
58608  +c2*e_1_2_4&
58609  +4*e_2_2_4 &
58610  -4*e_1_1_4)
58611  e_2_3_4 = zeta*( c1*e_1_2_4 &
58612  +c2*e_2_2_4&
58613  +6*e_3_2_4 &
58614  -4*e_2_1_4)
58615  e_3_3_4 = zeta*( c1*e_2_2_4 &
58616  +c2*e_3_2_4&
58617  +8*e_4_2_4 &
58618  -4*e_3_1_4)
58619  e_4_3_4 = zeta*( c1*e_3_2_4 &
58620  +c2*e_4_2_4&
58621  +10*e_5_2_4 &
58622  -4*e_4_1_4)
58623  e_5_3_4 = zeta*( c1*e_4_2_4 &
58624  +c2*e_5_2_4&
58625  +12*e_6_2_4 &
58626  -4*e_5_1_4)
58627  e_6_3_4 = zeta*( c1*e_5_2_4 &
58628  +c2*e_6_2_4&
58629 
58630  )
58631  e_7_3_4 = zeta*( c1*e_6_2_4 &
58632 
58633 
58634  )
58635  e_0_4_4 = zeta*( &
58636  +c2*e_0_3_4&
58637  +2*e_1_3_4 &
58638  -6*e_0_2_4)
58639  e_1_4_4 = zeta*( c1*e_0_3_4 &
58640  +c2*e_1_3_4&
58641  +4*e_2_3_4 &
58642  -6*e_1_2_4)
58643  e_2_4_4 = zeta*( c1*e_1_3_4 &
58644  +c2*e_2_3_4&
58645  +6*e_3_3_4 &
58646  -6*e_2_2_4)
58647  e_3_4_4 = zeta*( c1*e_2_3_4 &
58648  +c2*e_3_3_4&
58649  +8*e_4_3_4 &
58650  -6*e_3_2_4)
58651  e_4_4_4 = zeta*( c1*e_3_3_4 &
58652  +c2*e_4_3_4&
58653  +10*e_5_3_4 &
58654  -6*e_4_2_4)
58655  e_5_4_4 = zeta*( c1*e_4_3_4 &
58656  +c2*e_5_3_4&
58657  +12*e_6_3_4 &
58658  -6*e_5_2_4)
58659  e_6_4_4 = zeta*( c1*e_5_3_4 &
58660  +c2*e_6_3_4&
58661  +14*e_7_3_4 &
58662  -6*e_6_2_4)
58663  e_7_4_4 = zeta*( c1*e_6_3_4 &
58664  +c2*e_7_3_4&
58665 
58666  )
58667  e_8_4_4 = zeta*( c1*e_7_3_4 &
58668 
58669 
58670  )
58671 
58672  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
58673  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
58674  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
58675  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
58676  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
58677  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
58678  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
58679  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
58680  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
58681  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
58682  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
58683  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
58684  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
58685  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
58686  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
58687  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
58688  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
58689  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
58690  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
58691  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
58692  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
58693  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
58694  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
58695  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
58696  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
58697  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
58698  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
58699  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
58700  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
58701  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
58702  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
58703  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
58704  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
58705  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
58706  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
58707  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
58708  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
58709  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
58710  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
58711  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
58712  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
58713  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
58714  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
58715  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
58716  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
58717  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
58718  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
58719  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
58720  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
58721  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
58722  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
58723  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
58724  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
58725  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
58726  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
58727  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
58728  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
58729  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
58730  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
58731  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
58732  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
58733  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
58734  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
58735  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
58736  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
58737  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
58738  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
58739  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
58740  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
58741  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
58742  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
58743  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
58744  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
58745  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
58746  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
58747  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
58748  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
58749  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
58750  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
58751  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
58752  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
58753  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
58754  s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
58755  s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
58756  s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
58757  s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
58758  s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
58759  s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
58760  s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
58761  s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
58762  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
58763  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
58764  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
58765  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
58766  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
58767  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
58768  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
58769  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
58770  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
58771  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
58772  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
58773  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
58774  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
58775  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
58776  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
58777  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
58778  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
58779  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
58780  s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
58781  s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
58782  s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
58783  s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
58784  s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
58785  s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
58786  s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
58787  s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
58788  s_r(4, 4, 0) = s_r(4, 4, 0) + e_0_4_4*(1)*s_r_t2_0 ! cost: 5 flops
58789  s_r(4, 4, 0) = s_r(4, 4, 0) + e_1_4_4*(1)*s_r_t2_1 ! cost: 5 flops
58790  s_r(4, 4, 0) = s_r(4, 4, 0) + e_2_4_4*(1)*s_r_t2_2 ! cost: 5 flops
58791  s_r(4, 4, 0) = s_r(4, 4, 0) + e_3_4_4*(1)*s_r_t2_3 ! cost: 5 flops
58792  s_r(4, 4, 0) = s_r(4, 4, 0) + e_4_4_4*(1)*s_r_t2_4 ! cost: 5 flops
58793  s_r(4, 4, 0) = s_r(4, 4, 0) + e_5_4_4*(1)*s_r_t2_5 ! cost: 5 flops
58794  s_r(4, 4, 0) = s_r(4, 4, 0) + e_6_4_4*(1)*s_r_t2_6 ! cost: 5 flops
58795  s_r(4, 4, 0) = s_r(4, 4, 0) + e_7_4_4*(1)*s_r_t2_7 ! cost: 5 flops
58796  s_r(4, 4, 0) = s_r(4, 4, 0) + e_8_4_4*(1)*s_r_t2_8 ! cost: 5 flops
58797  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
58798  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
58799  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
58800  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
58801  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
58802  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
58803  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
58804  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
58805  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
58806  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
58807  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
58808  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
58809  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
58810  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
58811  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
58812  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
58813  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
58814  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
58815  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
58816  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
58817  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
58818  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
58819  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
58820  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
58821  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
58822  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
58823  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
58824  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
58825  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
58826  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
58827  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
58828  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
58829  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
58830  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
58831  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
58832  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
58833  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
58834  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
58835  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
58836  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
58837  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
58838  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
58839  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
58840  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
58841  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
58842  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
58843  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
58844  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
58845  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
58846  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
58847  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
58848  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
58849  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
58850  s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
58851  s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
58852  s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
58853  s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
58854  s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
58855  s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
58856  s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
58857  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
58858  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
58859  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
58860  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
58861  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
58862  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
58863  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
58864  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
58865  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
58866  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
58867  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
58868  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
58869  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
58870  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
58871  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
58872  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
58873  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
58874  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
58875  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
58876  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
58877  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
58878  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
58879  s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
58880  s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
58881  s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
58882  s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
58883  s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
58884  s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
58885  s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
58886  s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
58887  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
58888  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
58889  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
58890  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
58891  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
58892  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
58893  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
58894  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
58895  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
58896  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
58897  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
58898  s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
58899  s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
58900  s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
58901  s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
58902  s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
58903  s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
58904  s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
58905  s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
58906  s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
58907  s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
58908  s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
58909  s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
58910  s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
58911  s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
58912  s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
58913  s_r(4, 4, 1) = s_r(4, 4, 1) + e_0_4_4*(-1)*s_r_t2_1 ! cost: 5 flops
58914  s_r(4, 4, 1) = s_r(4, 4, 1) + e_1_4_4*(-1)*s_r_t2_2 ! cost: 5 flops
58915  s_r(4, 4, 1) = s_r(4, 4, 1) + e_2_4_4*(-1)*s_r_t2_3 ! cost: 5 flops
58916  s_r(4, 4, 1) = s_r(4, 4, 1) + e_3_4_4*(-1)*s_r_t2_4 ! cost: 5 flops
58917  s_r(4, 4, 1) = s_r(4, 4, 1) + e_4_4_4*(-1)*s_r_t2_5 ! cost: 5 flops
58918  s_r(4, 4, 1) = s_r(4, 4, 1) + e_5_4_4*(-1)*s_r_t2_6 ! cost: 5 flops
58919  s_r(4, 4, 1) = s_r(4, 4, 1) + e_6_4_4*(-1)*s_r_t2_7 ! cost: 5 flops
58920  s_r(4, 4, 1) = s_r(4, 4, 1) + e_7_4_4*(-1)*s_r_t2_8 ! cost: 5 flops
58921  s_r(4, 4, 1) = s_r(4, 4, 1) + e_8_4_4*(-1)*s_r_t2_9 ! cost: 5 flops
58922  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
58923  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
58924  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
58925  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
58926  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
58927  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
58928  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
58929  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
58930  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
58931  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
58932  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
58933  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
58934  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
58935  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
58936  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
58937  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
58938  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
58939  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
58940  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
58941  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
58942  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
58943  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
58944  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
58945  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
58946  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
58947  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
58948  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
58949  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
58950  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
58951  s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
58952  s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
58953  s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
58954  s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
58955  s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
58956  s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
58957  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
58958  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
58959  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
58960  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
58961  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
58962  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
58963  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
58964  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
58965  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
58966  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
58967  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
58968  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
58969  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
58970  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
58971  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
58972  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
58973  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
58974  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
58975  s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
58976  s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
58977  s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
58978  s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
58979  s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
58980  s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
58981  s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
58982  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
58983  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
58984  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
58985  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
58986  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
58987  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
58988  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
58989  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
58990  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
58991  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
58992  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
58993  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
58994  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
58995  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
58996  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
58997  s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
58998  s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
58999  s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
59000  s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
59001  s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
59002  s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
59003  s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
59004  s_r(4, 3, 2) = s_r(4, 3, 2) + e_0_4_3*(1)*s_r_t2_2 ! cost: 5 flops
59005  s_r(4, 3, 2) = s_r(4, 3, 2) + e_1_4_3*(1)*s_r_t2_3 ! cost: 5 flops
59006  s_r(4, 3, 2) = s_r(4, 3, 2) + e_2_4_3*(1)*s_r_t2_4 ! cost: 5 flops
59007  s_r(4, 3, 2) = s_r(4, 3, 2) + e_3_4_3*(1)*s_r_t2_5 ! cost: 5 flops
59008  s_r(4, 3, 2) = s_r(4, 3, 2) + e_4_4_3*(1)*s_r_t2_6 ! cost: 5 flops
59009  s_r(4, 3, 2) = s_r(4, 3, 2) + e_5_4_3*(1)*s_r_t2_7 ! cost: 5 flops
59010  s_r(4, 3, 2) = s_r(4, 3, 2) + e_6_4_3*(1)*s_r_t2_8 ! cost: 5 flops
59011  s_r(4, 3, 2) = s_r(4, 3, 2) + e_7_4_3*(1)*s_r_t2_9 ! cost: 5 flops
59012  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
59013  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
59014  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
59015  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
59016  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
59017  s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
59018  s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
59019  s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
59020  s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
59021  s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
59022  s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
59023  s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
59024  s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
59025  s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
59026  s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
59027  s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
59028  s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
59029  s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
59030  s_r(3, 4, 2) = s_r(3, 4, 2) + e_0_3_4*(1)*s_r_t2_2 ! cost: 5 flops
59031  s_r(3, 4, 2) = s_r(3, 4, 2) + e_1_3_4*(1)*s_r_t2_3 ! cost: 5 flops
59032  s_r(3, 4, 2) = s_r(3, 4, 2) + e_2_3_4*(1)*s_r_t2_4 ! cost: 5 flops
59033  s_r(3, 4, 2) = s_r(3, 4, 2) + e_3_3_4*(1)*s_r_t2_5 ! cost: 5 flops
59034  s_r(3, 4, 2) = s_r(3, 4, 2) + e_4_3_4*(1)*s_r_t2_6 ! cost: 5 flops
59035  s_r(3, 4, 2) = s_r(3, 4, 2) + e_5_3_4*(1)*s_r_t2_7 ! cost: 5 flops
59036  s_r(3, 4, 2) = s_r(3, 4, 2) + e_6_3_4*(1)*s_r_t2_8 ! cost: 5 flops
59037  s_r(3, 4, 2) = s_r(3, 4, 2) + e_7_3_4*(1)*s_r_t2_9 ! cost: 5 flops
59038  s_r(4, 4, 2) = s_r(4, 4, 2) + e_0_4_4*(1)*s_r_t2_2 ! cost: 5 flops
59039  s_r(4, 4, 2) = s_r(4, 4, 2) + e_1_4_4*(1)*s_r_t2_3 ! cost: 5 flops
59040  s_r(4, 4, 2) = s_r(4, 4, 2) + e_2_4_4*(1)*s_r_t2_4 ! cost: 5 flops
59041  s_r(4, 4, 2) = s_r(4, 4, 2) + e_3_4_4*(1)*s_r_t2_5 ! cost: 5 flops
59042  s_r(4, 4, 2) = s_r(4, 4, 2) + e_4_4_4*(1)*s_r_t2_6 ! cost: 5 flops
59043  s_r(4, 4, 2) = s_r(4, 4, 2) + e_5_4_4*(1)*s_r_t2_7 ! cost: 5 flops
59044  s_r(4, 4, 2) = s_r(4, 4, 2) + e_6_4_4*(1)*s_r_t2_8 ! cost: 5 flops
59045  s_r(4, 4, 2) = s_r(4, 4, 2) + e_7_4_4*(1)*s_r_t2_9 ! cost: 5 flops
59046  s_r(4, 4, 2) = s_r(4, 4, 2) + e_8_4_4*(1)*s_r_t2_10 ! cost: 5 flops
59047  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
59048  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
59049  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
59050  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
59051  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
59052  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
59053  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
59054  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
59055  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
59056  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
59057  s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
59058  s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
59059  s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
59060  s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
59061  s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
59062  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
59063  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
59064  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
59065  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
59066  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
59067  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
59068  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
59069  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
59070  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
59071  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
59072  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
59073  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
59074  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
59075  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
59076  s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
59077  s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
59078  s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
59079  s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
59080  s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
59081  s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
59082  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
59083  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
59084  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
59085  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
59086  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
59087  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
59088  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
59089  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
59090  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
59091  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
59092  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
59093  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
59094  s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
59095  s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
59096  s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
59097  s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
59098  s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
59099  s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
59100  s_r(4, 2, 3) = s_r(4, 2, 3) + e_0_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
59101  s_r(4, 2, 3) = s_r(4, 2, 3) + e_1_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
59102  s_r(4, 2, 3) = s_r(4, 2, 3) + e_2_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
59103  s_r(4, 2, 3) = s_r(4, 2, 3) + e_3_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
59104  s_r(4, 2, 3) = s_r(4, 2, 3) + e_4_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
59105  s_r(4, 2, 3) = s_r(4, 2, 3) + e_5_4_2*(-1)*s_r_t2_8 ! cost: 5 flops
59106  s_r(4, 2, 3) = s_r(4, 2, 3) + e_6_4_2*(-1)*s_r_t2_9 ! cost: 5 flops
59107  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
59108  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
59109  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
59110  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
59111  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
59112  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
59113  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
59114  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
59115  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
59116  s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
59117  s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
59118  s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
59119  s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
59120  s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
59121  s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
59122  s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
59123  s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
59124  s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
59125  s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
59126  s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
59127  s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
59128  s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
59129  s_r(4, 3, 3) = s_r(4, 3, 3) + e_0_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
59130  s_r(4, 3, 3) = s_r(4, 3, 3) + e_1_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
59131  s_r(4, 3, 3) = s_r(4, 3, 3) + e_2_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
59132  s_r(4, 3, 3) = s_r(4, 3, 3) + e_3_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
59133  s_r(4, 3, 3) = s_r(4, 3, 3) + e_4_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
59134  s_r(4, 3, 3) = s_r(4, 3, 3) + e_5_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
59135  s_r(4, 3, 3) = s_r(4, 3, 3) + e_6_4_3*(-1)*s_r_t2_9 ! cost: 5 flops
59136  s_r(4, 3, 3) = s_r(4, 3, 3) + e_7_4_3*(-1)*s_r_t2_10 ! cost: 5 flops
59137  s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
59138  s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
59139  s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
59140  s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
59141  s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
59142  s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
59143  s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
59144  s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
59145  s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
59146  s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
59147  s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
59148  s_r(2, 4, 3) = s_r(2, 4, 3) + e_0_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
59149  s_r(2, 4, 3) = s_r(2, 4, 3) + e_1_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
59150  s_r(2, 4, 3) = s_r(2, 4, 3) + e_2_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
59151  s_r(2, 4, 3) = s_r(2, 4, 3) + e_3_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
59152  s_r(2, 4, 3) = s_r(2, 4, 3) + e_4_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
59153  s_r(2, 4, 3) = s_r(2, 4, 3) + e_5_2_4*(-1)*s_r_t2_8 ! cost: 5 flops
59154  s_r(2, 4, 3) = s_r(2, 4, 3) + e_6_2_4*(-1)*s_r_t2_9 ! cost: 5 flops
59155  s_r(3, 4, 3) = s_r(3, 4, 3) + e_0_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
59156  s_r(3, 4, 3) = s_r(3, 4, 3) + e_1_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
59157  s_r(3, 4, 3) = s_r(3, 4, 3) + e_2_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
59158  s_r(3, 4, 3) = s_r(3, 4, 3) + e_3_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
59159  s_r(3, 4, 3) = s_r(3, 4, 3) + e_4_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
59160  s_r(3, 4, 3) = s_r(3, 4, 3) + e_5_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
59161  s_r(3, 4, 3) = s_r(3, 4, 3) + e_6_3_4*(-1)*s_r_t2_9 ! cost: 5 flops
59162  s_r(3, 4, 3) = s_r(3, 4, 3) + e_7_3_4*(-1)*s_r_t2_10 ! cost: 5 flops
59163  s_r(4, 4, 3) = s_r(4, 4, 3) + e_0_4_4*(-1)*s_r_t2_3 ! cost: 5 flops
59164  s_r(4, 4, 3) = s_r(4, 4, 3) + e_1_4_4*(-1)*s_r_t2_4 ! cost: 5 flops
59165  s_r(4, 4, 3) = s_r(4, 4, 3) + e_2_4_4*(-1)*s_r_t2_5 ! cost: 5 flops
59166  s_r(4, 4, 3) = s_r(4, 4, 3) + e_3_4_4*(-1)*s_r_t2_6 ! cost: 5 flops
59167  s_r(4, 4, 3) = s_r(4, 4, 3) + e_4_4_4*(-1)*s_r_t2_7 ! cost: 5 flops
59168  s_r(4, 4, 3) = s_r(4, 4, 3) + e_5_4_4*(-1)*s_r_t2_8 ! cost: 5 flops
59169  s_r(4, 4, 3) = s_r(4, 4, 3) + e_6_4_4*(-1)*s_r_t2_9 ! cost: 5 flops
59170  s_r(4, 4, 3) = s_r(4, 4, 3) + e_7_4_4*(-1)*s_r_t2_10 ! cost: 5 flops
59171  s_r(4, 4, 3) = s_r(4, 4, 3) + e_8_4_4*(-1)*s_r_t2_11 ! cost: 5 flops
59172  r1 = r1 + dr
59173  END DO
59174 
59175  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
59176  END SUBROUTINE
59177  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_4_4_exp_0 ( &
59178  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
59179  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
59180  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
59181  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
59182  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
59183  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
59184  r_pow_t, r_tmp, rr1_delta, rr2_delta
59185 
59186  REAL(kind=dp) :: c1, c2, c3
59187  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
59188  & s_r_t_10, s_r_t_11, s_r_t_12
59189  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
59190  & s_r_t2_9, s_r_t2_10, s_r_t2_11, s_r_t2_12
59191  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
59192  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
59193  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
59194  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
59195  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
59196  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
59197  & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10, h_to_c_0_11,&
59198  & h_to_c_1_11, h_to_c_2_11, h_to_c_3_11, h_to_c_4_11, h_to_c_5_11, h_to_c_6_11, h_to_c_7_11, h_to_c_8_11, h_to_c_9_11,&
59199  & h_to_c_10_11, h_to_c_11_11, h_to_c_0_12, h_to_c_1_12, h_to_c_2_12, h_to_c_3_12, h_to_c_4_12, h_to_c_5_12, h_to_c_6_12,&
59200  & h_to_c_7_12, h_to_c_8_12, h_to_c_9_12, h_to_c_10_12, h_to_c_11_12, h_to_c_12_12
59201  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
59202  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
59203  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
59204  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
59205  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
59206  & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
59207  & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3,&
59208  & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
59209  & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4,&
59210  & e_0_4_4, e_1_4_4, e_2_4_4, e_3_4_4, e_4_4_4, e_5_4_4, e_6_4_4, e_7_4_4, e_8_4_4
59211 
59212 
59213  dr = lgth
59214  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
59215 
59216  s_r(:, :, :) = 0.0_dp
59217 
59218  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
59219 
59220  h_to_c_0_0 = sqrt(alpha/pi)
59221 
59222  h_to_c_0_1 = 0.0_dp
59223  h_to_c_1_1 = +2*alpha*h_to_c_0_0
59224  h_to_c_0_2 = -1*h_to_c_1_1
59225  h_to_c_1_2 = +2*alpha*h_to_c_0_1
59226  h_to_c_2_2 = +2*alpha*h_to_c_1_1
59227  h_to_c_0_3 = -1*h_to_c_1_2
59228  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
59229  h_to_c_2_3 = +2*alpha*h_to_c_1_2
59230  h_to_c_3_3 = +2*alpha*h_to_c_2_2
59231  h_to_c_0_4 = -1*h_to_c_1_3
59232  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
59233  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
59234  h_to_c_3_4 = +2*alpha*h_to_c_2_3
59235  h_to_c_4_4 = +2*alpha*h_to_c_3_3
59236  h_to_c_0_5 = -1*h_to_c_1_4
59237  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
59238  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
59239  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
59240  h_to_c_4_5 = +2*alpha*h_to_c_3_4
59241  h_to_c_5_5 = +2*alpha*h_to_c_4_4
59242  h_to_c_0_6 = -1*h_to_c_1_5
59243  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
59244  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
59245  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
59246  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
59247  h_to_c_5_6 = +2*alpha*h_to_c_4_5
59248  h_to_c_6_6 = +2*alpha*h_to_c_5_5
59249  h_to_c_0_7 = -1*h_to_c_1_6
59250  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
59251  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
59252  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
59253  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
59254  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
59255  h_to_c_6_7 = +2*alpha*h_to_c_5_6
59256  h_to_c_7_7 = +2*alpha*h_to_c_6_6
59257  h_to_c_0_8 = -1*h_to_c_1_7
59258  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
59259  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
59260  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
59261  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
59262  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
59263  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
59264  h_to_c_7_8 = +2*alpha*h_to_c_6_7
59265  h_to_c_8_8 = +2*alpha*h_to_c_7_7
59266  h_to_c_0_9 = -1*h_to_c_1_8
59267  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
59268  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
59269  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
59270  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
59271  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
59272  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
59273  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
59274  h_to_c_8_9 = +2*alpha*h_to_c_7_8
59275  h_to_c_9_9 = +2*alpha*h_to_c_8_8
59276  h_to_c_0_10 = -1*h_to_c_1_9
59277  h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
59278  h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
59279  h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
59280  h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
59281  h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
59282  h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
59283  h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
59284  h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
59285  h_to_c_9_10 = +2*alpha*h_to_c_8_9
59286  h_to_c_10_10 = +2*alpha*h_to_c_9_9
59287  h_to_c_0_11 = -1*h_to_c_1_10
59288  h_to_c_1_11 = -2*h_to_c_2_10 +2*alpha*h_to_c_0_10
59289  h_to_c_2_11 = -3*h_to_c_3_10 +2*alpha*h_to_c_1_10
59290  h_to_c_3_11 = -4*h_to_c_4_10 +2*alpha*h_to_c_2_10
59291  h_to_c_4_11 = -5*h_to_c_5_10 +2*alpha*h_to_c_3_10
59292  h_to_c_5_11 = -6*h_to_c_6_10 +2*alpha*h_to_c_4_10
59293  h_to_c_6_11 = -7*h_to_c_7_10 +2*alpha*h_to_c_5_10
59294  h_to_c_7_11 = -8*h_to_c_8_10 +2*alpha*h_to_c_6_10
59295  h_to_c_8_11 = -9*h_to_c_9_10 +2*alpha*h_to_c_7_10
59296  h_to_c_9_11 = -10*h_to_c_10_10 +2*alpha*h_to_c_8_10
59297  h_to_c_10_11 = +2*alpha*h_to_c_9_10
59298  h_to_c_11_11 = +2*alpha*h_to_c_10_10
59299  h_to_c_0_12 = -1*h_to_c_1_11
59300  h_to_c_1_12 = -2*h_to_c_2_11 +2*alpha*h_to_c_0_11
59301  h_to_c_2_12 = -3*h_to_c_3_11 +2*alpha*h_to_c_1_11
59302  h_to_c_3_12 = -4*h_to_c_4_11 +2*alpha*h_to_c_2_11
59303  h_to_c_4_12 = -5*h_to_c_5_11 +2*alpha*h_to_c_3_11
59304  h_to_c_5_12 = -6*h_to_c_6_11 +2*alpha*h_to_c_4_11
59305  h_to_c_6_12 = -7*h_to_c_7_11 +2*alpha*h_to_c_5_11
59306  h_to_c_7_12 = -8*h_to_c_8_11 +2*alpha*h_to_c_6_11
59307  h_to_c_8_12 = -9*h_to_c_9_11 +2*alpha*h_to_c_7_11
59308  h_to_c_9_12 = -10*h_to_c_10_11 +2*alpha*h_to_c_8_11
59309  h_to_c_10_12 = -11*h_to_c_11_11 +2*alpha*h_to_c_9_11
59310  h_to_c_11_12 = +2*alpha*h_to_c_10_11
59311  h_to_c_12_12 = +2*alpha*h_to_c_11_11
59312 
59313 
59314  rr1_delta = (ra - rb)/dr
59315 
59316  rr1_l = ceiling(-r_c(1) + rr1_delta)
59317  rr1_r = floor(r_c(1) + rr1_delta)
59318 
59319  r1 = rr1_l*dr
59320 
59321  alpha_e = zeta*zetb/(zeta + zetb)
59322 
59323  DO rr1 = rr1_l, rr1_r
59324  s_r_t_0 = 0.0_dp
59325  s_r_t2_0 = 0.0_dp
59326  s_r_t_1 = 0.0_dp
59327  s_r_t2_1 = 0.0_dp
59328  s_r_t_2 = 0.0_dp
59329  s_r_t2_2 = 0.0_dp
59330  s_r_t_3 = 0.0_dp
59331  s_r_t2_3 = 0.0_dp
59332  s_r_t_4 = 0.0_dp
59333  s_r_t2_4 = 0.0_dp
59334  s_r_t_5 = 0.0_dp
59335  s_r_t2_5 = 0.0_dp
59336  s_r_t_6 = 0.0_dp
59337  s_r_t2_6 = 0.0_dp
59338  s_r_t_7 = 0.0_dp
59339  s_r_t2_7 = 0.0_dp
59340  s_r_t_8 = 0.0_dp
59341  s_r_t2_8 = 0.0_dp
59342  s_r_t_9 = 0.0_dp
59343  s_r_t2_9 = 0.0_dp
59344  s_r_t_10 = 0.0_dp
59345  s_r_t2_10 = 0.0_dp
59346  s_r_t_11 = 0.0_dp
59347  s_r_t2_11 = 0.0_dp
59348  s_r_t_12 = 0.0_dp
59349  s_r_t2_12 = 0.0_dp
59350  r_tmp = r_offset + r1*zeta/(zeta + zetb)
59351  rr2_delta = -r_tmp/dr
59352 
59353  rr2_l = ceiling(-r_c(2) + rr2_delta)
59354  rr2_r = floor(r_c(2) + rr2_delta)
59355 
59356  r = r_tmp + (rr2_l)*dr
59357 
59358 
59359  DO rr2 = rr2_l, rr2_r
59360  r_pow_t = 1.0_dp
59361  exp2_rsq = exp(-alpha*r*r)
59362  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
59363  r_pow_t = r_pow_t*r
59364  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
59365  r_pow_t = r_pow_t*r
59366  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
59367  r_pow_t = r_pow_t*r
59368  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
59369  r_pow_t = r_pow_t*r
59370  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
59371  r_pow_t = r_pow_t*r
59372  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
59373  r_pow_t = r_pow_t*r
59374  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
59375  r_pow_t = r_pow_t*r
59376  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
59377  r_pow_t = r_pow_t*r
59378  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
59379  r_pow_t = r_pow_t*r
59380  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
59381  r_pow_t = r_pow_t*r
59382  s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
59383  r_pow_t = r_pow_t*r
59384  s_r_t_11 = s_r_t_11+r_pow_t*exp2_rsq
59385  r_pow_t = r_pow_t*r
59386  s_r_t_12 = s_r_t_12+r_pow_t*exp2_rsq
59387 
59388  r = r + dr
59389  END DO
59390 
59391  ! C --> H
59392  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
59393  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
59394  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
59395  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
59396  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
59397  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
59398  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
59399  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
59400  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
59401  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
59402  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
59403  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
59404  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
59405  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
59406  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
59407  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
59408  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
59409  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
59410  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
59411  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
59412  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
59413  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
59414  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
59415  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
59416  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
59417  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
59418  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
59419  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
59420  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
59421  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
59422  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
59423  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
59424  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
59425  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
59426  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
59427  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
59428  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
59429  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
59430  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
59431  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
59432  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
59433  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
59434  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
59435  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
59436  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
59437  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
59438  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
59439  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
59440  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
59441  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
59442  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
59443  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
59444  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
59445  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
59446  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
59447  s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
59448  s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
59449  s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
59450  s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
59451  s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
59452  s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
59453  s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
59454  s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
59455  s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
59456  s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
59457  s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
59458  s_r_t2_11 = s_r_t2_11+h_to_c_0_11*s_r_t_0
59459  s_r_t2_11 = s_r_t2_11+h_to_c_1_11*s_r_t_1
59460  s_r_t2_11 = s_r_t2_11+h_to_c_2_11*s_r_t_2
59461  s_r_t2_11 = s_r_t2_11+h_to_c_3_11*s_r_t_3
59462  s_r_t2_11 = s_r_t2_11+h_to_c_4_11*s_r_t_4
59463  s_r_t2_11 = s_r_t2_11+h_to_c_5_11*s_r_t_5
59464  s_r_t2_11 = s_r_t2_11+h_to_c_6_11*s_r_t_6
59465  s_r_t2_11 = s_r_t2_11+h_to_c_7_11*s_r_t_7
59466  s_r_t2_11 = s_r_t2_11+h_to_c_8_11*s_r_t_8
59467  s_r_t2_11 = s_r_t2_11+h_to_c_9_11*s_r_t_9
59468  s_r_t2_11 = s_r_t2_11+h_to_c_10_11*s_r_t_10
59469  s_r_t2_11 = s_r_t2_11+h_to_c_11_11*s_r_t_11
59470  s_r_t2_12 = s_r_t2_12+h_to_c_0_12*s_r_t_0
59471  s_r_t2_12 = s_r_t2_12+h_to_c_1_12*s_r_t_1
59472  s_r_t2_12 = s_r_t2_12+h_to_c_2_12*s_r_t_2
59473  s_r_t2_12 = s_r_t2_12+h_to_c_3_12*s_r_t_3
59474  s_r_t2_12 = s_r_t2_12+h_to_c_4_12*s_r_t_4
59475  s_r_t2_12 = s_r_t2_12+h_to_c_5_12*s_r_t_5
59476  s_r_t2_12 = s_r_t2_12+h_to_c_6_12*s_r_t_6
59477  s_r_t2_12 = s_r_t2_12+h_to_c_7_12*s_r_t_7
59478  s_r_t2_12 = s_r_t2_12+h_to_c_8_12*s_r_t_8
59479  s_r_t2_12 = s_r_t2_12+h_to_c_9_12*s_r_t_9
59480  s_r_t2_12 = s_r_t2_12+h_to_c_10_12*s_r_t_10
59481  s_r_t2_12 = s_r_t2_12+h_to_c_11_12*s_r_t_11
59482  s_r_t2_12 = s_r_t2_12+h_to_c_12_12*s_r_t_12
59483 
59484  ! H --> HH
59485  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
59486 
59487  c1 = 1.0_dp/(zeta + zetb)
59488  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
59489  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
59490 
59491  e_0_1_0 = zeta*( &
59492  +c2*e_0_0_0&
59493 
59494  )
59495  e_0_0_1 = zetb*( &
59496  +c3*e_0_0_0&
59497 
59498  )
59499  e_1_1_0 = zeta*( c1*e_0_0_0 &
59500 
59501 
59502  )
59503  e_1_0_1 = zetb*( c1*e_0_0_0 &
59504 
59505 
59506  )
59507  e_0_2_0 = zeta*( &
59508  +c2*e_0_1_0&
59509  +2*e_1_1_0 &
59510  -2*e_0_0_0)
59511  e_0_1_1 = zetb*( &
59512  +c3*e_0_1_0&
59513  +2*e_1_1_0 &
59514  )
59515  e_1_2_0 = zeta*( c1*e_0_1_0 &
59516  +c2*e_1_1_0&
59517 
59518  )
59519  e_1_1_1 = zetb*( c1*e_0_1_0 &
59520  +c3*e_1_1_0&
59521 
59522  )
59523  e_2_2_0 = zeta*( c1*e_1_1_0 &
59524 
59525 
59526  )
59527  e_2_1_1 = zetb*( c1*e_1_1_0 &
59528 
59529 
59530  )
59531  e_0_3_0 = zeta*( &
59532  +c2*e_0_2_0&
59533  +2*e_1_2_0 &
59534  -4*e_0_1_0)
59535  e_0_2_1 = zetb*( &
59536  +c3*e_0_2_0&
59537  +2*e_1_2_0 &
59538  )
59539  e_1_3_0 = zeta*( c1*e_0_2_0 &
59540  +c2*e_1_2_0&
59541  +4*e_2_2_0 &
59542  -4*e_1_1_0)
59543  e_1_2_1 = zetb*( c1*e_0_2_0 &
59544  +c3*e_1_2_0&
59545  +4*e_2_2_0 &
59546  )
59547  e_2_3_0 = zeta*( c1*e_1_2_0 &
59548  +c2*e_2_2_0&
59549 
59550  )
59551  e_2_2_1 = zetb*( c1*e_1_2_0 &
59552  +c3*e_2_2_0&
59553 
59554  )
59555  e_3_3_0 = zeta*( c1*e_2_2_0 &
59556 
59557 
59558  )
59559  e_3_2_1 = zetb*( c1*e_2_2_0 &
59560 
59561 
59562  )
59563  e_0_4_0 = zeta*( &
59564  +c2*e_0_3_0&
59565  +2*e_1_3_0 &
59566  -6*e_0_2_0)
59567  e_0_3_1 = zetb*( &
59568  +c3*e_0_3_0&
59569  +2*e_1_3_0 &
59570  )
59571  e_1_4_0 = zeta*( c1*e_0_3_0 &
59572  +c2*e_1_3_0&
59573  +4*e_2_3_0 &
59574  -6*e_1_2_0)
59575  e_1_3_1 = zetb*( c1*e_0_3_0 &
59576  +c3*e_1_3_0&
59577  +4*e_2_3_0 &
59578  )
59579  e_2_4_0 = zeta*( c1*e_1_3_0 &
59580  +c2*e_2_3_0&
59581  +6*e_3_3_0 &
59582  -6*e_2_2_0)
59583  e_2_3_1 = zetb*( c1*e_1_3_0 &
59584  +c3*e_2_3_0&
59585  +6*e_3_3_0 &
59586  )
59587  e_3_4_0 = zeta*( c1*e_2_3_0 &
59588  +c2*e_3_3_0&
59589 
59590  )
59591  e_3_3_1 = zetb*( c1*e_2_3_0 &
59592  +c3*e_3_3_0&
59593 
59594  )
59595  e_4_4_0 = zeta*( c1*e_3_3_0 &
59596 
59597 
59598  )
59599  e_4_3_1 = zetb*( c1*e_3_3_0 &
59600 
59601 
59602  )
59603  e_0_4_1 = zetb*( &
59604  +c3*e_0_4_0&
59605  +2*e_1_4_0 &
59606  )
59607  e_1_4_1 = zetb*( c1*e_0_4_0 &
59608  +c3*e_1_4_0&
59609  +4*e_2_4_0 &
59610  )
59611  e_2_4_1 = zetb*( c1*e_1_4_0 &
59612  +c3*e_2_4_0&
59613  +6*e_3_4_0 &
59614  )
59615  e_3_4_1 = zetb*( c1*e_2_4_0 &
59616  +c3*e_3_4_0&
59617  +8*e_4_4_0 &
59618  )
59619  e_4_4_1 = zetb*( c1*e_3_4_0 &
59620  +c3*e_4_4_0&
59621 
59622  )
59623  e_5_4_1 = zetb*( c1*e_4_4_0 &
59624 
59625 
59626  )
59627  e_0_1_1 = zeta*( &
59628  +c2*e_0_0_1&
59629  +2*e_1_0_1 &
59630  )
59631  e_0_0_2 = zetb*( &
59632  +c3*e_0_0_1&
59633  +2*e_1_0_1 &
59634  -2*e_0_0_0)
59635  e_1_1_1 = zeta*( c1*e_0_0_1 &
59636  +c2*e_1_0_1&
59637 
59638  )
59639  e_1_0_2 = zetb*( c1*e_0_0_1 &
59640  +c3*e_1_0_1&
59641 
59642  )
59643  e_2_1_1 = zeta*( c1*e_1_0_1 &
59644 
59645 
59646  )
59647  e_2_0_2 = zetb*( c1*e_1_0_1 &
59648 
59649 
59650  )
59651  e_0_2_1 = zeta*( &
59652  +c2*e_0_1_1&
59653  +2*e_1_1_1 &
59654  -2*e_0_0_1)
59655  e_0_1_2 = zetb*( &
59656  +c3*e_0_1_1&
59657  +2*e_1_1_1 &
59658  -2*e_0_1_0)
59659  e_1_2_1 = zeta*( c1*e_0_1_1 &
59660  +c2*e_1_1_1&
59661  +4*e_2_1_1 &
59662  -2*e_1_0_1)
59663  e_1_1_2 = zetb*( c1*e_0_1_1 &
59664  +c3*e_1_1_1&
59665  +4*e_2_1_1 &
59666  -2*e_1_1_0)
59667  e_2_2_1 = zeta*( c1*e_1_1_1 &
59668  +c2*e_2_1_1&
59669 
59670  )
59671  e_2_1_2 = zetb*( c1*e_1_1_1 &
59672  +c3*e_2_1_1&
59673 
59674  )
59675  e_3_2_1 = zeta*( c1*e_2_1_1 &
59676 
59677 
59678  )
59679  e_3_1_2 = zetb*( c1*e_2_1_1 &
59680 
59681 
59682  )
59683  e_0_3_1 = zeta*( &
59684  +c2*e_0_2_1&
59685  +2*e_1_2_1 &
59686  -4*e_0_1_1)
59687  e_0_2_2 = zetb*( &
59688  +c3*e_0_2_1&
59689  +2*e_1_2_1 &
59690  -2*e_0_2_0)
59691  e_1_3_1 = zeta*( c1*e_0_2_1 &
59692  +c2*e_1_2_1&
59693  +4*e_2_2_1 &
59694  -4*e_1_1_1)
59695  e_1_2_2 = zetb*( c1*e_0_2_1 &
59696  +c3*e_1_2_1&
59697  +4*e_2_2_1 &
59698  -2*e_1_2_0)
59699  e_2_3_1 = zeta*( c1*e_1_2_1 &
59700  +c2*e_2_2_1&
59701  +6*e_3_2_1 &
59702  -4*e_2_1_1)
59703  e_2_2_2 = zetb*( c1*e_1_2_1 &
59704  +c3*e_2_2_1&
59705  +6*e_3_2_1 &
59706  -2*e_2_2_0)
59707  e_3_3_1 = zeta*( c1*e_2_2_1 &
59708  +c2*e_3_2_1&
59709 
59710  )
59711  e_3_2_2 = zetb*( c1*e_2_2_1 &
59712  +c3*e_3_2_1&
59713 
59714  )
59715  e_4_3_1 = zeta*( c1*e_3_2_1 &
59716 
59717 
59718  )
59719  e_4_2_2 = zetb*( c1*e_3_2_1 &
59720 
59721 
59722  )
59723  e_0_4_1 = zeta*( &
59724  +c2*e_0_3_1&
59725  +2*e_1_3_1 &
59726  -6*e_0_2_1)
59727  e_0_3_2 = zetb*( &
59728  +c3*e_0_3_1&
59729  +2*e_1_3_1 &
59730  -2*e_0_3_0)
59731  e_1_4_1 = zeta*( c1*e_0_3_1 &
59732  +c2*e_1_3_1&
59733  +4*e_2_3_1 &
59734  -6*e_1_2_1)
59735  e_1_3_2 = zetb*( c1*e_0_3_1 &
59736  +c3*e_1_3_1&
59737  +4*e_2_3_1 &
59738  -2*e_1_3_0)
59739  e_2_4_1 = zeta*( c1*e_1_3_1 &
59740  +c2*e_2_3_1&
59741  +6*e_3_3_1 &
59742  -6*e_2_2_1)
59743  e_2_3_2 = zetb*( c1*e_1_3_1 &
59744  +c3*e_2_3_1&
59745  +6*e_3_3_1 &
59746  -2*e_2_3_0)
59747  e_3_4_1 = zeta*( c1*e_2_3_1 &
59748  +c2*e_3_3_1&
59749  +8*e_4_3_1 &
59750  -6*e_3_2_1)
59751  e_3_3_2 = zetb*( c1*e_2_3_1 &
59752  +c3*e_3_3_1&
59753  +8*e_4_3_1 &
59754  -2*e_3_3_0)
59755  e_4_4_1 = zeta*( c1*e_3_3_1 &
59756  +c2*e_4_3_1&
59757 
59758  )
59759  e_4_3_2 = zetb*( c1*e_3_3_1 &
59760  +c3*e_4_3_1&
59761 
59762  )
59763  e_5_4_1 = zeta*( c1*e_4_3_1 &
59764 
59765 
59766  )
59767  e_5_3_2 = zetb*( c1*e_4_3_1 &
59768 
59769 
59770  )
59771  e_0_4_2 = zetb*( &
59772  +c3*e_0_4_1&
59773  +2*e_1_4_1 &
59774  -2*e_0_4_0)
59775  e_1_4_2 = zetb*( c1*e_0_4_1 &
59776  +c3*e_1_4_1&
59777  +4*e_2_4_1 &
59778  -2*e_1_4_0)
59779  e_2_4_2 = zetb*( c1*e_1_4_1 &
59780  +c3*e_2_4_1&
59781  +6*e_3_4_1 &
59782  -2*e_2_4_0)
59783  e_3_4_2 = zetb*( c1*e_2_4_1 &
59784  +c3*e_3_4_1&
59785  +8*e_4_4_1 &
59786  -2*e_3_4_0)
59787  e_4_4_2 = zetb*( c1*e_3_4_1 &
59788  +c3*e_4_4_1&
59789  +10*e_5_4_1 &
59790  -2*e_4_4_0)
59791  e_5_4_2 = zetb*( c1*e_4_4_1 &
59792  +c3*e_5_4_1&
59793 
59794  )
59795  e_6_4_2 = zetb*( c1*e_5_4_1 &
59796 
59797 
59798  )
59799  e_0_1_2 = zeta*( &
59800  +c2*e_0_0_2&
59801  +2*e_1_0_2 &
59802  )
59803  e_0_0_3 = zetb*( &
59804  +c3*e_0_0_2&
59805  +2*e_1_0_2 &
59806  -4*e_0_0_1)
59807  e_1_1_2 = zeta*( c1*e_0_0_2 &
59808  +c2*e_1_0_2&
59809  +4*e_2_0_2 &
59810  )
59811  e_1_0_3 = zetb*( c1*e_0_0_2 &
59812  +c3*e_1_0_2&
59813  +4*e_2_0_2 &
59814  -4*e_1_0_1)
59815  e_2_1_2 = zeta*( c1*e_1_0_2 &
59816  +c2*e_2_0_2&
59817 
59818  )
59819  e_2_0_3 = zetb*( c1*e_1_0_2 &
59820  +c3*e_2_0_2&
59821 
59822  )
59823  e_3_1_2 = zeta*( c1*e_2_0_2 &
59824 
59825 
59826  )
59827  e_3_0_3 = zetb*( c1*e_2_0_2 &
59828 
59829 
59830  )
59831  e_0_2_2 = zeta*( &
59832  +c2*e_0_1_2&
59833  +2*e_1_1_2 &
59834  -2*e_0_0_2)
59835  e_0_1_3 = zetb*( &
59836  +c3*e_0_1_2&
59837  +2*e_1_1_2 &
59838  -4*e_0_1_1)
59839  e_1_2_2 = zeta*( c1*e_0_1_2 &
59840  +c2*e_1_1_2&
59841  +4*e_2_1_2 &
59842  -2*e_1_0_2)
59843  e_1_1_3 = zetb*( c1*e_0_1_2 &
59844  +c3*e_1_1_2&
59845  +4*e_2_1_2 &
59846  -4*e_1_1_1)
59847  e_2_2_2 = zeta*( c1*e_1_1_2 &
59848  +c2*e_2_1_2&
59849  +6*e_3_1_2 &
59850  -2*e_2_0_2)
59851  e_2_1_3 = zetb*( c1*e_1_1_2 &
59852  +c3*e_2_1_2&
59853  +6*e_3_1_2 &
59854  -4*e_2_1_1)
59855  e_3_2_2 = zeta*( c1*e_2_1_2 &
59856  +c2*e_3_1_2&
59857 
59858  )
59859  e_3_1_3 = zetb*( c1*e_2_1_2 &
59860  +c3*e_3_1_2&
59861 
59862  )
59863  e_4_2_2 = zeta*( c1*e_3_1_2 &
59864 
59865 
59866  )
59867  e_4_1_3 = zetb*( c1*e_3_1_2 &
59868 
59869 
59870  )
59871  e_0_3_2 = zeta*( &
59872  +c2*e_0_2_2&
59873  +2*e_1_2_2 &
59874  -4*e_0_1_2)
59875  e_0_2_3 = zetb*( &
59876  +c3*e_0_2_2&
59877  +2*e_1_2_2 &
59878  -4*e_0_2_1)
59879  e_1_3_2 = zeta*( c1*e_0_2_2 &
59880  +c2*e_1_2_2&
59881  +4*e_2_2_2 &
59882  -4*e_1_1_2)
59883  e_1_2_3 = zetb*( c1*e_0_2_2 &
59884  +c3*e_1_2_2&
59885  +4*e_2_2_2 &
59886  -4*e_1_2_1)
59887  e_2_3_2 = zeta*( c1*e_1_2_2 &
59888  +c2*e_2_2_2&
59889  +6*e_3_2_2 &
59890  -4*e_2_1_2)
59891  e_2_2_3 = zetb*( c1*e_1_2_2 &
59892  +c3*e_2_2_2&
59893  +6*e_3_2_2 &
59894  -4*e_2_2_1)
59895  e_3_3_2 = zeta*( c1*e_2_2_2 &
59896  +c2*e_3_2_2&
59897  +8*e_4_2_2 &
59898  -4*e_3_1_2)
59899  e_3_2_3 = zetb*( c1*e_2_2_2 &
59900  +c3*e_3_2_2&
59901  +8*e_4_2_2 &
59902  -4*e_3_2_1)
59903  e_4_3_2 = zeta*( c1*e_3_2_2 &
59904  +c2*e_4_2_2&
59905 
59906  )
59907  e_4_2_3 = zetb*( c1*e_3_2_2 &
59908  +c3*e_4_2_2&
59909 
59910  )
59911  e_5_3_2 = zeta*( c1*e_4_2_2 &
59912 
59913 
59914  )
59915  e_5_2_3 = zetb*( c1*e_4_2_2 &
59916 
59917 
59918  )
59919  e_0_4_2 = zeta*( &
59920  +c2*e_0_3_2&
59921  +2*e_1_3_2 &
59922  -6*e_0_2_2)
59923  e_0_3_3 = zetb*( &
59924  +c3*e_0_3_2&
59925  +2*e_1_3_2 &
59926  -4*e_0_3_1)
59927  e_1_4_2 = zeta*( c1*e_0_3_2 &
59928  +c2*e_1_3_2&
59929  +4*e_2_3_2 &
59930  -6*e_1_2_2)
59931  e_1_3_3 = zetb*( c1*e_0_3_2 &
59932  +c3*e_1_3_2&
59933  +4*e_2_3_2 &
59934  -4*e_1_3_1)
59935  e_2_4_2 = zeta*( c1*e_1_3_2 &
59936  +c2*e_2_3_2&
59937  +6*e_3_3_2 &
59938  -6*e_2_2_2)
59939  e_2_3_3 = zetb*( c1*e_1_3_2 &
59940  +c3*e_2_3_2&
59941  +6*e_3_3_2 &
59942  -4*e_2_3_1)
59943  e_3_4_2 = zeta*( c1*e_2_3_2 &
59944  +c2*e_3_3_2&
59945  +8*e_4_3_2 &
59946  -6*e_3_2_2)
59947  e_3_3_3 = zetb*( c1*e_2_3_2 &
59948  +c3*e_3_3_2&
59949  +8*e_4_3_2 &
59950  -4*e_3_3_1)
59951  e_4_4_2 = zeta*( c1*e_3_3_2 &
59952  +c2*e_4_3_2&
59953  +10*e_5_3_2 &
59954  -6*e_4_2_2)
59955  e_4_3_3 = zetb*( c1*e_3_3_2 &
59956  +c3*e_4_3_2&
59957  +10*e_5_3_2 &
59958  -4*e_4_3_1)
59959  e_5_4_2 = zeta*( c1*e_4_3_2 &
59960  +c2*e_5_3_2&
59961 
59962  )
59963  e_5_3_3 = zetb*( c1*e_4_3_2 &
59964  +c3*e_5_3_2&
59965 
59966  )
59967  e_6_4_2 = zeta*( c1*e_5_3_2 &
59968 
59969 
59970  )
59971  e_6_3_3 = zetb*( c1*e_5_3_2 &
59972 
59973 
59974  )
59975  e_0_4_3 = zetb*( &
59976  +c3*e_0_4_2&
59977  +2*e_1_4_2 &
59978  -4*e_0_4_1)
59979  e_1_4_3 = zetb*( c1*e_0_4_2 &
59980  +c3*e_1_4_2&
59981  +4*e_2_4_2 &
59982  -4*e_1_4_1)
59983  e_2_4_3 = zetb*( c1*e_1_4_2 &
59984  +c3*e_2_4_2&
59985  +6*e_3_4_2 &
59986  -4*e_2_4_1)
59987  e_3_4_3 = zetb*( c1*e_2_4_2 &
59988  +c3*e_3_4_2&
59989  +8*e_4_4_2 &
59990  -4*e_3_4_1)
59991  e_4_4_3 = zetb*( c1*e_3_4_2 &
59992  +c3*e_4_4_2&
59993  +10*e_5_4_2 &
59994  -4*e_4_4_1)
59995  e_5_4_3 = zetb*( c1*e_4_4_2 &
59996  +c3*e_5_4_2&
59997  +12*e_6_4_2 &
59998  -4*e_5_4_1)
59999  e_6_4_3 = zetb*( c1*e_5_4_2 &
60000  +c3*e_6_4_2&
60001 
60002  )
60003  e_7_4_3 = zetb*( c1*e_6_4_2 &
60004 
60005 
60006  )
60007  e_0_1_3 = zeta*( &
60008  +c2*e_0_0_3&
60009  +2*e_1_0_3 &
60010  )
60011  e_0_0_4 = zetb*( &
60012  +c3*e_0_0_3&
60013  +2*e_1_0_3 &
60014  -6*e_0_0_2)
60015  e_1_1_3 = zeta*( c1*e_0_0_3 &
60016  +c2*e_1_0_3&
60017  +4*e_2_0_3 &
60018  )
60019  e_1_0_4 = zetb*( c1*e_0_0_3 &
60020  +c3*e_1_0_3&
60021  +4*e_2_0_3 &
60022  -6*e_1_0_2)
60023  e_2_1_3 = zeta*( c1*e_1_0_3 &
60024  +c2*e_2_0_3&
60025  +6*e_3_0_3 &
60026  )
60027  e_2_0_4 = zetb*( c1*e_1_0_3 &
60028  +c3*e_2_0_3&
60029  +6*e_3_0_3 &
60030  -6*e_2_0_2)
60031  e_3_1_3 = zeta*( c1*e_2_0_3 &
60032  +c2*e_3_0_3&
60033 
60034  )
60035  e_3_0_4 = zetb*( c1*e_2_0_3 &
60036  +c3*e_3_0_3&
60037 
60038  )
60039  e_4_1_3 = zeta*( c1*e_3_0_3 &
60040 
60041 
60042  )
60043  e_4_0_4 = zetb*( c1*e_3_0_3 &
60044 
60045 
60046  )
60047  e_0_2_3 = zeta*( &
60048  +c2*e_0_1_3&
60049  +2*e_1_1_3 &
60050  -2*e_0_0_3)
60051  e_0_1_4 = zetb*( &
60052  +c3*e_0_1_3&
60053  +2*e_1_1_3 &
60054  -6*e_0_1_2)
60055  e_1_2_3 = zeta*( c1*e_0_1_3 &
60056  +c2*e_1_1_3&
60057  +4*e_2_1_3 &
60058  -2*e_1_0_3)
60059  e_1_1_4 = zetb*( c1*e_0_1_3 &
60060  +c3*e_1_1_3&
60061  +4*e_2_1_3 &
60062  -6*e_1_1_2)
60063  e_2_2_3 = zeta*( c1*e_1_1_3 &
60064  +c2*e_2_1_3&
60065  +6*e_3_1_3 &
60066  -2*e_2_0_3)
60067  e_2_1_4 = zetb*( c1*e_1_1_3 &
60068  +c3*e_2_1_3&
60069  +6*e_3_1_3 &
60070  -6*e_2_1_2)
60071  e_3_2_3 = zeta*( c1*e_2_1_3 &
60072  +c2*e_3_1_3&
60073  +8*e_4_1_3 &
60074  -2*e_3_0_3)
60075  e_3_1_4 = zetb*( c1*e_2_1_3 &
60076  +c3*e_3_1_3&
60077  +8*e_4_1_3 &
60078  -6*e_3_1_2)
60079  e_4_2_3 = zeta*( c1*e_3_1_3 &
60080  +c2*e_4_1_3&
60081 
60082  )
60083  e_4_1_4 = zetb*( c1*e_3_1_3 &
60084  +c3*e_4_1_3&
60085 
60086  )
60087  e_5_2_3 = zeta*( c1*e_4_1_3 &
60088 
60089 
60090  )
60091  e_5_1_4 = zetb*( c1*e_4_1_3 &
60092 
60093 
60094  )
60095  e_0_3_3 = zeta*( &
60096  +c2*e_0_2_3&
60097  +2*e_1_2_3 &
60098  -4*e_0_1_3)
60099  e_0_2_4 = zetb*( &
60100  +c3*e_0_2_3&
60101  +2*e_1_2_3 &
60102  -6*e_0_2_2)
60103  e_1_3_3 = zeta*( c1*e_0_2_3 &
60104  +c2*e_1_2_3&
60105  +4*e_2_2_3 &
60106  -4*e_1_1_3)
60107  e_1_2_4 = zetb*( c1*e_0_2_3 &
60108  +c3*e_1_2_3&
60109  +4*e_2_2_3 &
60110  -6*e_1_2_2)
60111  e_2_3_3 = zeta*( c1*e_1_2_3 &
60112  +c2*e_2_2_3&
60113  +6*e_3_2_3 &
60114  -4*e_2_1_3)
60115  e_2_2_4 = zetb*( c1*e_1_2_3 &
60116  +c3*e_2_2_3&
60117  +6*e_3_2_3 &
60118  -6*e_2_2_2)
60119  e_3_3_3 = zeta*( c1*e_2_2_3 &
60120  +c2*e_3_2_3&
60121  +8*e_4_2_3 &
60122  -4*e_3_1_3)
60123  e_3_2_4 = zetb*( c1*e_2_2_3 &
60124  +c3*e_3_2_3&
60125  +8*e_4_2_3 &
60126  -6*e_3_2_2)
60127  e_4_3_3 = zeta*( c1*e_3_2_3 &
60128  +c2*e_4_2_3&
60129  +10*e_5_2_3 &
60130  -4*e_4_1_3)
60131  e_4_2_4 = zetb*( c1*e_3_2_3 &
60132  +c3*e_4_2_3&
60133  +10*e_5_2_3 &
60134  -6*e_4_2_2)
60135  e_5_3_3 = zeta*( c1*e_4_2_3 &
60136  +c2*e_5_2_3&
60137 
60138  )
60139  e_5_2_4 = zetb*( c1*e_4_2_3 &
60140  +c3*e_5_2_3&
60141 
60142  )
60143  e_6_3_3 = zeta*( c1*e_5_2_3 &
60144 
60145 
60146  )
60147  e_6_2_4 = zetb*( c1*e_5_2_3 &
60148 
60149 
60150  )
60151  e_0_4_3 = zeta*( &
60152  +c2*e_0_3_3&
60153  +2*e_1_3_3 &
60154  -6*e_0_2_3)
60155  e_0_3_4 = zetb*( &
60156  +c3*e_0_3_3&
60157  +2*e_1_3_3 &
60158  -6*e_0_3_2)
60159  e_1_4_3 = zeta*( c1*e_0_3_3 &
60160  +c2*e_1_3_3&
60161  +4*e_2_3_3 &
60162  -6*e_1_2_3)
60163  e_1_3_4 = zetb*( c1*e_0_3_3 &
60164  +c3*e_1_3_3&
60165  +4*e_2_3_3 &
60166  -6*e_1_3_2)
60167  e_2_4_3 = zeta*( c1*e_1_3_3 &
60168  +c2*e_2_3_3&
60169  +6*e_3_3_3 &
60170  -6*e_2_2_3)
60171  e_2_3_4 = zetb*( c1*e_1_3_3 &
60172  +c3*e_2_3_3&
60173  +6*e_3_3_3 &
60174  -6*e_2_3_2)
60175  e_3_4_3 = zeta*( c1*e_2_3_3 &
60176  +c2*e_3_3_3&
60177  +8*e_4_3_3 &
60178  -6*e_3_2_3)
60179  e_3_3_4 = zetb*( c1*e_2_3_3 &
60180  +c3*e_3_3_3&
60181  +8*e_4_3_3 &
60182  -6*e_3_3_2)
60183  e_4_4_3 = zeta*( c1*e_3_3_3 &
60184  +c2*e_4_3_3&
60185  +10*e_5_3_3 &
60186  -6*e_4_2_3)
60187  e_4_3_4 = zetb*( c1*e_3_3_3 &
60188  +c3*e_4_3_3&
60189  +10*e_5_3_3 &
60190  -6*e_4_3_2)
60191  e_5_4_3 = zeta*( c1*e_4_3_3 &
60192  +c2*e_5_3_3&
60193  +12*e_6_3_3 &
60194  -6*e_5_2_3)
60195  e_5_3_4 = zetb*( c1*e_4_3_3 &
60196  +c3*e_5_3_3&
60197  +12*e_6_3_3 &
60198  -6*e_5_3_2)
60199  e_6_4_3 = zeta*( c1*e_5_3_3 &
60200  +c2*e_6_3_3&
60201 
60202  )
60203  e_6_3_4 = zetb*( c1*e_5_3_3 &
60204  +c3*e_6_3_3&
60205 
60206  )
60207  e_7_4_3 = zeta*( c1*e_6_3_3 &
60208 
60209 
60210  )
60211  e_7_3_4 = zetb*( c1*e_6_3_3 &
60212 
60213 
60214  )
60215  e_0_4_4 = zetb*( &
60216  +c3*e_0_4_3&
60217  +2*e_1_4_3 &
60218  -6*e_0_4_2)
60219  e_1_4_4 = zetb*( c1*e_0_4_3 &
60220  +c3*e_1_4_3&
60221  +4*e_2_4_3 &
60222  -6*e_1_4_2)
60223  e_2_4_4 = zetb*( c1*e_1_4_3 &
60224  +c3*e_2_4_3&
60225  +6*e_3_4_3 &
60226  -6*e_2_4_2)
60227  e_3_4_4 = zetb*( c1*e_2_4_3 &
60228  +c3*e_3_4_3&
60229  +8*e_4_4_3 &
60230  -6*e_3_4_2)
60231  e_4_4_4 = zetb*( c1*e_3_4_3 &
60232  +c3*e_4_4_3&
60233  +10*e_5_4_3 &
60234  -6*e_4_4_2)
60235  e_5_4_4 = zetb*( c1*e_4_4_3 &
60236  +c3*e_5_4_3&
60237  +12*e_6_4_3 &
60238  -6*e_5_4_2)
60239  e_6_4_4 = zetb*( c1*e_5_4_3 &
60240  +c3*e_6_4_3&
60241  +14*e_7_4_3 &
60242  -6*e_6_4_2)
60243  e_7_4_4 = zetb*( c1*e_6_4_3 &
60244  +c3*e_7_4_3&
60245 
60246  )
60247  e_8_4_4 = zetb*( c1*e_7_4_3 &
60248 
60249 
60250  )
60251  e_0_1_4 = zeta*( &
60252  +c2*e_0_0_4&
60253  +2*e_1_0_4 &
60254  )
60255  e_1_1_4 = zeta*( c1*e_0_0_4 &
60256  +c2*e_1_0_4&
60257  +4*e_2_0_4 &
60258  )
60259  e_2_1_4 = zeta*( c1*e_1_0_4 &
60260  +c2*e_2_0_4&
60261  +6*e_3_0_4 &
60262  )
60263  e_3_1_4 = zeta*( c1*e_2_0_4 &
60264  +c2*e_3_0_4&
60265  +8*e_4_0_4 &
60266  )
60267  e_4_1_4 = zeta*( c1*e_3_0_4 &
60268  +c2*e_4_0_4&
60269 
60270  )
60271  e_5_1_4 = zeta*( c1*e_4_0_4 &
60272 
60273 
60274  )
60275  e_0_2_4 = zeta*( &
60276  +c2*e_0_1_4&
60277  +2*e_1_1_4 &
60278  -2*e_0_0_4)
60279  e_1_2_4 = zeta*( c1*e_0_1_4 &
60280  +c2*e_1_1_4&
60281  +4*e_2_1_4 &
60282  -2*e_1_0_4)
60283  e_2_2_4 = zeta*( c1*e_1_1_4 &
60284  +c2*e_2_1_4&
60285  +6*e_3_1_4 &
60286  -2*e_2_0_4)
60287  e_3_2_4 = zeta*( c1*e_2_1_4 &
60288  +c2*e_3_1_4&
60289  +8*e_4_1_4 &
60290  -2*e_3_0_4)
60291  e_4_2_4 = zeta*( c1*e_3_1_4 &
60292  +c2*e_4_1_4&
60293  +10*e_5_1_4 &
60294  -2*e_4_0_4)
60295  e_5_2_4 = zeta*( c1*e_4_1_4 &
60296  +c2*e_5_1_4&
60297 
60298  )
60299  e_6_2_4 = zeta*( c1*e_5_1_4 &
60300 
60301 
60302  )
60303  e_0_3_4 = zeta*( &
60304  +c2*e_0_2_4&
60305  +2*e_1_2_4 &
60306  -4*e_0_1_4)
60307  e_1_3_4 = zeta*( c1*e_0_2_4 &
60308  +c2*e_1_2_4&
60309  +4*e_2_2_4 &
60310  -4*e_1_1_4)
60311  e_2_3_4 = zeta*( c1*e_1_2_4 &
60312  +c2*e_2_2_4&
60313  +6*e_3_2_4 &
60314  -4*e_2_1_4)
60315  e_3_3_4 = zeta*( c1*e_2_2_4 &
60316  +c2*e_3_2_4&
60317  +8*e_4_2_4 &
60318  -4*e_3_1_4)
60319  e_4_3_4 = zeta*( c1*e_3_2_4 &
60320  +c2*e_4_2_4&
60321  +10*e_5_2_4 &
60322  -4*e_4_1_4)
60323  e_5_3_4 = zeta*( c1*e_4_2_4 &
60324  +c2*e_5_2_4&
60325  +12*e_6_2_4 &
60326  -4*e_5_1_4)
60327  e_6_3_4 = zeta*( c1*e_5_2_4 &
60328  +c2*e_6_2_4&
60329 
60330  )
60331  e_7_3_4 = zeta*( c1*e_6_2_4 &
60332 
60333 
60334  )
60335  e_0_4_4 = zeta*( &
60336  +c2*e_0_3_4&
60337  +2*e_1_3_4 &
60338  -6*e_0_2_4)
60339  e_1_4_4 = zeta*( c1*e_0_3_4 &
60340  +c2*e_1_3_4&
60341  +4*e_2_3_4 &
60342  -6*e_1_2_4)
60343  e_2_4_4 = zeta*( c1*e_1_3_4 &
60344  +c2*e_2_3_4&
60345  +6*e_3_3_4 &
60346  -6*e_2_2_4)
60347  e_3_4_4 = zeta*( c1*e_2_3_4 &
60348  +c2*e_3_3_4&
60349  +8*e_4_3_4 &
60350  -6*e_3_2_4)
60351  e_4_4_4 = zeta*( c1*e_3_3_4 &
60352  +c2*e_4_3_4&
60353  +10*e_5_3_4 &
60354  -6*e_4_2_4)
60355  e_5_4_4 = zeta*( c1*e_4_3_4 &
60356  +c2*e_5_3_4&
60357  +12*e_6_3_4 &
60358  -6*e_5_2_4)
60359  e_6_4_4 = zeta*( c1*e_5_3_4 &
60360  +c2*e_6_3_4&
60361  +14*e_7_3_4 &
60362  -6*e_6_2_4)
60363  e_7_4_4 = zeta*( c1*e_6_3_4 &
60364  +c2*e_7_3_4&
60365 
60366  )
60367  e_8_4_4 = zeta*( c1*e_7_3_4 &
60368 
60369 
60370  )
60371 
60372  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
60373  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
60374  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
60375  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
60376  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
60377  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
60378  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
60379  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
60380  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
60381  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
60382  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
60383  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
60384  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
60385  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
60386  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
60387  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
60388  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
60389  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
60390  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
60391  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
60392  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
60393  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
60394  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
60395  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
60396  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
60397  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
60398  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
60399  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
60400  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
60401  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
60402  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
60403  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
60404  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
60405  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
60406  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
60407  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
60408  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
60409  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
60410  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
60411  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
60412  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
60413  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
60414  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
60415  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
60416  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
60417  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
60418  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
60419  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
60420  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
60421  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
60422  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
60423  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
60424  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
60425  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
60426  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
60427  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
60428  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
60429  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
60430  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
60431  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
60432  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
60433  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
60434  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
60435  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
60436  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
60437  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
60438  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
60439  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
60440  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
60441  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
60442  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
60443  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
60444  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
60445  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
60446  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
60447  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
60448  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
60449  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
60450  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
60451  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
60452  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
60453  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
60454  s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
60455  s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
60456  s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
60457  s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
60458  s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
60459  s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
60460  s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
60461  s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
60462  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
60463  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
60464  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
60465  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
60466  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
60467  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
60468  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
60469  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
60470  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
60471  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
60472  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
60473  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
60474  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
60475  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
60476  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
60477  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
60478  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
60479  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
60480  s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
60481  s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
60482  s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
60483  s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
60484  s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
60485  s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
60486  s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
60487  s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
60488  s_r(4, 4, 0) = s_r(4, 4, 0) + e_0_4_4*(1)*s_r_t2_0 ! cost: 5 flops
60489  s_r(4, 4, 0) = s_r(4, 4, 0) + e_1_4_4*(1)*s_r_t2_1 ! cost: 5 flops
60490  s_r(4, 4, 0) = s_r(4, 4, 0) + e_2_4_4*(1)*s_r_t2_2 ! cost: 5 flops
60491  s_r(4, 4, 0) = s_r(4, 4, 0) + e_3_4_4*(1)*s_r_t2_3 ! cost: 5 flops
60492  s_r(4, 4, 0) = s_r(4, 4, 0) + e_4_4_4*(1)*s_r_t2_4 ! cost: 5 flops
60493  s_r(4, 4, 0) = s_r(4, 4, 0) + e_5_4_4*(1)*s_r_t2_5 ! cost: 5 flops
60494  s_r(4, 4, 0) = s_r(4, 4, 0) + e_6_4_4*(1)*s_r_t2_6 ! cost: 5 flops
60495  s_r(4, 4, 0) = s_r(4, 4, 0) + e_7_4_4*(1)*s_r_t2_7 ! cost: 5 flops
60496  s_r(4, 4, 0) = s_r(4, 4, 0) + e_8_4_4*(1)*s_r_t2_8 ! cost: 5 flops
60497  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
60498  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
60499  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
60500  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
60501  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
60502  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
60503  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
60504  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
60505  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
60506  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
60507  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
60508  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
60509  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
60510  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
60511  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
60512  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
60513  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
60514  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
60515  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
60516  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
60517  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
60518  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
60519  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
60520  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
60521  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
60522  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
60523  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
60524  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
60525  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
60526  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
60527  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
60528  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
60529  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
60530  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
60531  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
60532  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
60533  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
60534  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
60535  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
60536  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
60537  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
60538  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
60539  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
60540  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
60541  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
60542  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
60543  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
60544  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
60545  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
60546  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
60547  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
60548  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
60549  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
60550  s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
60551  s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
60552  s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
60553  s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
60554  s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
60555  s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
60556  s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
60557  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
60558  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
60559  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
60560  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
60561  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
60562  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
60563  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
60564  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
60565  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
60566  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
60567  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
60568  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
60569  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
60570  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
60571  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
60572  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
60573  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
60574  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
60575  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
60576  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
60577  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
60578  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
60579  s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
60580  s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
60581  s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
60582  s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
60583  s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
60584  s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
60585  s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
60586  s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
60587  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
60588  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
60589  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
60590  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
60591  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
60592  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
60593  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
60594  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
60595  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
60596  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
60597  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
60598  s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
60599  s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
60600  s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
60601  s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
60602  s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
60603  s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
60604  s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
60605  s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
60606  s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
60607  s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
60608  s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
60609  s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
60610  s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
60611  s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
60612  s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
60613  s_r(4, 4, 1) = s_r(4, 4, 1) + e_0_4_4*(-1)*s_r_t2_1 ! cost: 5 flops
60614  s_r(4, 4, 1) = s_r(4, 4, 1) + e_1_4_4*(-1)*s_r_t2_2 ! cost: 5 flops
60615  s_r(4, 4, 1) = s_r(4, 4, 1) + e_2_4_4*(-1)*s_r_t2_3 ! cost: 5 flops
60616  s_r(4, 4, 1) = s_r(4, 4, 1) + e_3_4_4*(-1)*s_r_t2_4 ! cost: 5 flops
60617  s_r(4, 4, 1) = s_r(4, 4, 1) + e_4_4_4*(-1)*s_r_t2_5 ! cost: 5 flops
60618  s_r(4, 4, 1) = s_r(4, 4, 1) + e_5_4_4*(-1)*s_r_t2_6 ! cost: 5 flops
60619  s_r(4, 4, 1) = s_r(4, 4, 1) + e_6_4_4*(-1)*s_r_t2_7 ! cost: 5 flops
60620  s_r(4, 4, 1) = s_r(4, 4, 1) + e_7_4_4*(-1)*s_r_t2_8 ! cost: 5 flops
60621  s_r(4, 4, 1) = s_r(4, 4, 1) + e_8_4_4*(-1)*s_r_t2_9 ! cost: 5 flops
60622  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
60623  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
60624  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
60625  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
60626  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
60627  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
60628  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
60629  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
60630  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
60631  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
60632  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
60633  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
60634  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
60635  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
60636  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
60637  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
60638  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
60639  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
60640  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
60641  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
60642  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
60643  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
60644  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
60645  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
60646  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
60647  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
60648  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
60649  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
60650  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
60651  s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
60652  s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
60653  s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
60654  s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
60655  s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
60656  s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
60657  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
60658  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
60659  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
60660  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
60661  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
60662  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
60663  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
60664  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
60665  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
60666  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
60667  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
60668  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
60669  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
60670  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
60671  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
60672  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
60673  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
60674  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
60675  s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
60676  s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
60677  s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
60678  s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
60679  s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
60680  s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
60681  s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
60682  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
60683  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
60684  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
60685  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
60686  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
60687  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
60688  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
60689  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
60690  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
60691  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
60692  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
60693  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
60694  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
60695  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
60696  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
60697  s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
60698  s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
60699  s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
60700  s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
60701  s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
60702  s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
60703  s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
60704  s_r(4, 3, 2) = s_r(4, 3, 2) + e_0_4_3*(1)*s_r_t2_2 ! cost: 5 flops
60705  s_r(4, 3, 2) = s_r(4, 3, 2) + e_1_4_3*(1)*s_r_t2_3 ! cost: 5 flops
60706  s_r(4, 3, 2) = s_r(4, 3, 2) + e_2_4_3*(1)*s_r_t2_4 ! cost: 5 flops
60707  s_r(4, 3, 2) = s_r(4, 3, 2) + e_3_4_3*(1)*s_r_t2_5 ! cost: 5 flops
60708  s_r(4, 3, 2) = s_r(4, 3, 2) + e_4_4_3*(1)*s_r_t2_6 ! cost: 5 flops
60709  s_r(4, 3, 2) = s_r(4, 3, 2) + e_5_4_3*(1)*s_r_t2_7 ! cost: 5 flops
60710  s_r(4, 3, 2) = s_r(4, 3, 2) + e_6_4_3*(1)*s_r_t2_8 ! cost: 5 flops
60711  s_r(4, 3, 2) = s_r(4, 3, 2) + e_7_4_3*(1)*s_r_t2_9 ! cost: 5 flops
60712  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
60713  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
60714  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
60715  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
60716  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
60717  s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
60718  s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
60719  s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
60720  s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
60721  s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
60722  s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
60723  s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
60724  s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
60725  s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
60726  s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
60727  s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
60728  s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
60729  s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
60730  s_r(3, 4, 2) = s_r(3, 4, 2) + e_0_3_4*(1)*s_r_t2_2 ! cost: 5 flops
60731  s_r(3, 4, 2) = s_r(3, 4, 2) + e_1_3_4*(1)*s_r_t2_3 ! cost: 5 flops
60732  s_r(3, 4, 2) = s_r(3, 4, 2) + e_2_3_4*(1)*s_r_t2_4 ! cost: 5 flops
60733  s_r(3, 4, 2) = s_r(3, 4, 2) + e_3_3_4*(1)*s_r_t2_5 ! cost: 5 flops
60734  s_r(3, 4, 2) = s_r(3, 4, 2) + e_4_3_4*(1)*s_r_t2_6 ! cost: 5 flops
60735  s_r(3, 4, 2) = s_r(3, 4, 2) + e_5_3_4*(1)*s_r_t2_7 ! cost: 5 flops
60736  s_r(3, 4, 2) = s_r(3, 4, 2) + e_6_3_4*(1)*s_r_t2_8 ! cost: 5 flops
60737  s_r(3, 4, 2) = s_r(3, 4, 2) + e_7_3_4*(1)*s_r_t2_9 ! cost: 5 flops
60738  s_r(4, 4, 2) = s_r(4, 4, 2) + e_0_4_4*(1)*s_r_t2_2 ! cost: 5 flops
60739  s_r(4, 4, 2) = s_r(4, 4, 2) + e_1_4_4*(1)*s_r_t2_3 ! cost: 5 flops
60740  s_r(4, 4, 2) = s_r(4, 4, 2) + e_2_4_4*(1)*s_r_t2_4 ! cost: 5 flops
60741  s_r(4, 4, 2) = s_r(4, 4, 2) + e_3_4_4*(1)*s_r_t2_5 ! cost: 5 flops
60742  s_r(4, 4, 2) = s_r(4, 4, 2) + e_4_4_4*(1)*s_r_t2_6 ! cost: 5 flops
60743  s_r(4, 4, 2) = s_r(4, 4, 2) + e_5_4_4*(1)*s_r_t2_7 ! cost: 5 flops
60744  s_r(4, 4, 2) = s_r(4, 4, 2) + e_6_4_4*(1)*s_r_t2_8 ! cost: 5 flops
60745  s_r(4, 4, 2) = s_r(4, 4, 2) + e_7_4_4*(1)*s_r_t2_9 ! cost: 5 flops
60746  s_r(4, 4, 2) = s_r(4, 4, 2) + e_8_4_4*(1)*s_r_t2_10 ! cost: 5 flops
60747  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
60748  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
60749  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
60750  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
60751  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
60752  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
60753  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
60754  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
60755  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
60756  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
60757  s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
60758  s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
60759  s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
60760  s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
60761  s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
60762  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
60763  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
60764  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
60765  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
60766  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
60767  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
60768  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
60769  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
60770  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
60771  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
60772  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
60773  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
60774  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
60775  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
60776  s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
60777  s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
60778  s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
60779  s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
60780  s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
60781  s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
60782  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
60783  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
60784  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
60785  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
60786  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
60787  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
60788  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
60789  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
60790  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
60791  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
60792  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
60793  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
60794  s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
60795  s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
60796  s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
60797  s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
60798  s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
60799  s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
60800  s_r(4, 2, 3) = s_r(4, 2, 3) + e_0_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
60801  s_r(4, 2, 3) = s_r(4, 2, 3) + e_1_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
60802  s_r(4, 2, 3) = s_r(4, 2, 3) + e_2_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
60803  s_r(4, 2, 3) = s_r(4, 2, 3) + e_3_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
60804  s_r(4, 2, 3) = s_r(4, 2, 3) + e_4_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
60805  s_r(4, 2, 3) = s_r(4, 2, 3) + e_5_4_2*(-1)*s_r_t2_8 ! cost: 5 flops
60806  s_r(4, 2, 3) = s_r(4, 2, 3) + e_6_4_2*(-1)*s_r_t2_9 ! cost: 5 flops
60807  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
60808  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
60809  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
60810  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
60811  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
60812  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
60813  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
60814  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
60815  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
60816  s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
60817  s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
60818  s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
60819  s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
60820  s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
60821  s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
60822  s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
60823  s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
60824  s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
60825  s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
60826  s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
60827  s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
60828  s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
60829  s_r(4, 3, 3) = s_r(4, 3, 3) + e_0_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
60830  s_r(4, 3, 3) = s_r(4, 3, 3) + e_1_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
60831  s_r(4, 3, 3) = s_r(4, 3, 3) + e_2_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
60832  s_r(4, 3, 3) = s_r(4, 3, 3) + e_3_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
60833  s_r(4, 3, 3) = s_r(4, 3, 3) + e_4_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
60834  s_r(4, 3, 3) = s_r(4, 3, 3) + e_5_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
60835  s_r(4, 3, 3) = s_r(4, 3, 3) + e_6_4_3*(-1)*s_r_t2_9 ! cost: 5 flops
60836  s_r(4, 3, 3) = s_r(4, 3, 3) + e_7_4_3*(-1)*s_r_t2_10 ! cost: 5 flops
60837  s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
60838  s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
60839  s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
60840  s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
60841  s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
60842  s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
60843  s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
60844  s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
60845  s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
60846  s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
60847  s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
60848  s_r(2, 4, 3) = s_r(2, 4, 3) + e_0_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
60849  s_r(2, 4, 3) = s_r(2, 4, 3) + e_1_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
60850  s_r(2, 4, 3) = s_r(2, 4, 3) + e_2_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
60851  s_r(2, 4, 3) = s_r(2, 4, 3) + e_3_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
60852  s_r(2, 4, 3) = s_r(2, 4, 3) + e_4_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
60853  s_r(2, 4, 3) = s_r(2, 4, 3) + e_5_2_4*(-1)*s_r_t2_8 ! cost: 5 flops
60854  s_r(2, 4, 3) = s_r(2, 4, 3) + e_6_2_4*(-1)*s_r_t2_9 ! cost: 5 flops
60855  s_r(3, 4, 3) = s_r(3, 4, 3) + e_0_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
60856  s_r(3, 4, 3) = s_r(3, 4, 3) + e_1_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
60857  s_r(3, 4, 3) = s_r(3, 4, 3) + e_2_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
60858  s_r(3, 4, 3) = s_r(3, 4, 3) + e_3_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
60859  s_r(3, 4, 3) = s_r(3, 4, 3) + e_4_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
60860  s_r(3, 4, 3) = s_r(3, 4, 3) + e_5_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
60861  s_r(3, 4, 3) = s_r(3, 4, 3) + e_6_3_4*(-1)*s_r_t2_9 ! cost: 5 flops
60862  s_r(3, 4, 3) = s_r(3, 4, 3) + e_7_3_4*(-1)*s_r_t2_10 ! cost: 5 flops
60863  s_r(4, 4, 3) = s_r(4, 4, 3) + e_0_4_4*(-1)*s_r_t2_3 ! cost: 5 flops
60864  s_r(4, 4, 3) = s_r(4, 4, 3) + e_1_4_4*(-1)*s_r_t2_4 ! cost: 5 flops
60865  s_r(4, 4, 3) = s_r(4, 4, 3) + e_2_4_4*(-1)*s_r_t2_5 ! cost: 5 flops
60866  s_r(4, 4, 3) = s_r(4, 4, 3) + e_3_4_4*(-1)*s_r_t2_6 ! cost: 5 flops
60867  s_r(4, 4, 3) = s_r(4, 4, 3) + e_4_4_4*(-1)*s_r_t2_7 ! cost: 5 flops
60868  s_r(4, 4, 3) = s_r(4, 4, 3) + e_5_4_4*(-1)*s_r_t2_8 ! cost: 5 flops
60869  s_r(4, 4, 3) = s_r(4, 4, 3) + e_6_4_4*(-1)*s_r_t2_9 ! cost: 5 flops
60870  s_r(4, 4, 3) = s_r(4, 4, 3) + e_7_4_4*(-1)*s_r_t2_10 ! cost: 5 flops
60871  s_r(4, 4, 3) = s_r(4, 4, 3) + e_8_4_4*(-1)*s_r_t2_11 ! cost: 5 flops
60872  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
60873  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
60874  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
60875  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
60876  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
60877  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
60878  s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
60879  s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
60880  s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
60881  s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
60882  s_r(4, 0, 4) = s_r(4, 0, 4) + e_0_4_0*(1)*s_r_t2_4 ! cost: 5 flops
60883  s_r(4, 0, 4) = s_r(4, 0, 4) + e_1_4_0*(1)*s_r_t2_5 ! cost: 5 flops
60884  s_r(4, 0, 4) = s_r(4, 0, 4) + e_2_4_0*(1)*s_r_t2_6 ! cost: 5 flops
60885  s_r(4, 0, 4) = s_r(4, 0, 4) + e_3_4_0*(1)*s_r_t2_7 ! cost: 5 flops
60886  s_r(4, 0, 4) = s_r(4, 0, 4) + e_4_4_0*(1)*s_r_t2_8 ! cost: 5 flops
60887  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
60888  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
60889  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
60890  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
60891  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
60892  s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
60893  s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
60894  s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
60895  s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
60896  s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
60897  s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
60898  s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
60899  s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
60900  s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
60901  s_r(4, 1, 4) = s_r(4, 1, 4) + e_0_4_1*(1)*s_r_t2_4 ! cost: 5 flops
60902  s_r(4, 1, 4) = s_r(4, 1, 4) + e_1_4_1*(1)*s_r_t2_5 ! cost: 5 flops
60903  s_r(4, 1, 4) = s_r(4, 1, 4) + e_2_4_1*(1)*s_r_t2_6 ! cost: 5 flops
60904  s_r(4, 1, 4) = s_r(4, 1, 4) + e_3_4_1*(1)*s_r_t2_7 ! cost: 5 flops
60905  s_r(4, 1, 4) = s_r(4, 1, 4) + e_4_4_1*(1)*s_r_t2_8 ! cost: 5 flops
60906  s_r(4, 1, 4) = s_r(4, 1, 4) + e_5_4_1*(1)*s_r_t2_9 ! cost: 5 flops
60907  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
60908  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
60909  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
60910  s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
60911  s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
60912  s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
60913  s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
60914  s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
60915  s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
60916  s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
60917  s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
60918  s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
60919  s_r(3, 2, 4) = s_r(3, 2, 4) + e_0_3_2*(1)*s_r_t2_4 ! cost: 5 flops
60920  s_r(3, 2, 4) = s_r(3, 2, 4) + e_1_3_2*(1)*s_r_t2_5 ! cost: 5 flops
60921  s_r(3, 2, 4) = s_r(3, 2, 4) + e_2_3_2*(1)*s_r_t2_6 ! cost: 5 flops
60922  s_r(3, 2, 4) = s_r(3, 2, 4) + e_3_3_2*(1)*s_r_t2_7 ! cost: 5 flops
60923  s_r(3, 2, 4) = s_r(3, 2, 4) + e_4_3_2*(1)*s_r_t2_8 ! cost: 5 flops
60924  s_r(3, 2, 4) = s_r(3, 2, 4) + e_5_3_2*(1)*s_r_t2_9 ! cost: 5 flops
60925  s_r(4, 2, 4) = s_r(4, 2, 4) + e_0_4_2*(1)*s_r_t2_4 ! cost: 5 flops
60926  s_r(4, 2, 4) = s_r(4, 2, 4) + e_1_4_2*(1)*s_r_t2_5 ! cost: 5 flops
60927  s_r(4, 2, 4) = s_r(4, 2, 4) + e_2_4_2*(1)*s_r_t2_6 ! cost: 5 flops
60928  s_r(4, 2, 4) = s_r(4, 2, 4) + e_3_4_2*(1)*s_r_t2_7 ! cost: 5 flops
60929  s_r(4, 2, 4) = s_r(4, 2, 4) + e_4_4_2*(1)*s_r_t2_8 ! cost: 5 flops
60930  s_r(4, 2, 4) = s_r(4, 2, 4) + e_5_4_2*(1)*s_r_t2_9 ! cost: 5 flops
60931  s_r(4, 2, 4) = s_r(4, 2, 4) + e_6_4_2*(1)*s_r_t2_10 ! cost: 5 flops
60932  s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
60933  s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
60934  s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
60935  s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
60936  s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
60937  s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
60938  s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
60939  s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
60940  s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
60941  s_r(2, 3, 4) = s_r(2, 3, 4) + e_0_2_3*(1)*s_r_t2_4 ! cost: 5 flops
60942  s_r(2, 3, 4) = s_r(2, 3, 4) + e_1_2_3*(1)*s_r_t2_5 ! cost: 5 flops
60943  s_r(2, 3, 4) = s_r(2, 3, 4) + e_2_2_3*(1)*s_r_t2_6 ! cost: 5 flops
60944  s_r(2, 3, 4) = s_r(2, 3, 4) + e_3_2_3*(1)*s_r_t2_7 ! cost: 5 flops
60945  s_r(2, 3, 4) = s_r(2, 3, 4) + e_4_2_3*(1)*s_r_t2_8 ! cost: 5 flops
60946  s_r(2, 3, 4) = s_r(2, 3, 4) + e_5_2_3*(1)*s_r_t2_9 ! cost: 5 flops
60947  s_r(3, 3, 4) = s_r(3, 3, 4) + e_0_3_3*(1)*s_r_t2_4 ! cost: 5 flops
60948  s_r(3, 3, 4) = s_r(3, 3, 4) + e_1_3_3*(1)*s_r_t2_5 ! cost: 5 flops
60949  s_r(3, 3, 4) = s_r(3, 3, 4) + e_2_3_3*(1)*s_r_t2_6 ! cost: 5 flops
60950  s_r(3, 3, 4) = s_r(3, 3, 4) + e_3_3_3*(1)*s_r_t2_7 ! cost: 5 flops
60951  s_r(3, 3, 4) = s_r(3, 3, 4) + e_4_3_3*(1)*s_r_t2_8 ! cost: 5 flops
60952  s_r(3, 3, 4) = s_r(3, 3, 4) + e_5_3_3*(1)*s_r_t2_9 ! cost: 5 flops
60953  s_r(3, 3, 4) = s_r(3, 3, 4) + e_6_3_3*(1)*s_r_t2_10 ! cost: 5 flops
60954  s_r(4, 3, 4) = s_r(4, 3, 4) + e_0_4_3*(1)*s_r_t2_4 ! cost: 5 flops
60955  s_r(4, 3, 4) = s_r(4, 3, 4) + e_1_4_3*(1)*s_r_t2_5 ! cost: 5 flops
60956  s_r(4, 3, 4) = s_r(4, 3, 4) + e_2_4_3*(1)*s_r_t2_6 ! cost: 5 flops
60957  s_r(4, 3, 4) = s_r(4, 3, 4) + e_3_4_3*(1)*s_r_t2_7 ! cost: 5 flops
60958  s_r(4, 3, 4) = s_r(4, 3, 4) + e_4_4_3*(1)*s_r_t2_8 ! cost: 5 flops
60959  s_r(4, 3, 4) = s_r(4, 3, 4) + e_5_4_3*(1)*s_r_t2_9 ! cost: 5 flops
60960  s_r(4, 3, 4) = s_r(4, 3, 4) + e_6_4_3*(1)*s_r_t2_10 ! cost: 5 flops
60961  s_r(4, 3, 4) = s_r(4, 3, 4) + e_7_4_3*(1)*s_r_t2_11 ! cost: 5 flops
60962  s_r(0, 4, 4) = s_r(0, 4, 4) + e_0_0_4*(1)*s_r_t2_4 ! cost: 5 flops
60963  s_r(0, 4, 4) = s_r(0, 4, 4) + e_1_0_4*(1)*s_r_t2_5 ! cost: 5 flops
60964  s_r(0, 4, 4) = s_r(0, 4, 4) + e_2_0_4*(1)*s_r_t2_6 ! cost: 5 flops
60965  s_r(0, 4, 4) = s_r(0, 4, 4) + e_3_0_4*(1)*s_r_t2_7 ! cost: 5 flops
60966  s_r(0, 4, 4) = s_r(0, 4, 4) + e_4_0_4*(1)*s_r_t2_8 ! cost: 5 flops
60967  s_r(1, 4, 4) = s_r(1, 4, 4) + e_0_1_4*(1)*s_r_t2_4 ! cost: 5 flops
60968  s_r(1, 4, 4) = s_r(1, 4, 4) + e_1_1_4*(1)*s_r_t2_5 ! cost: 5 flops
60969  s_r(1, 4, 4) = s_r(1, 4, 4) + e_2_1_4*(1)*s_r_t2_6 ! cost: 5 flops
60970  s_r(1, 4, 4) = s_r(1, 4, 4) + e_3_1_4*(1)*s_r_t2_7 ! cost: 5 flops
60971  s_r(1, 4, 4) = s_r(1, 4, 4) + e_4_1_4*(1)*s_r_t2_8 ! cost: 5 flops
60972  s_r(1, 4, 4) = s_r(1, 4, 4) + e_5_1_4*(1)*s_r_t2_9 ! cost: 5 flops
60973  s_r(2, 4, 4) = s_r(2, 4, 4) + e_0_2_4*(1)*s_r_t2_4 ! cost: 5 flops
60974  s_r(2, 4, 4) = s_r(2, 4, 4) + e_1_2_4*(1)*s_r_t2_5 ! cost: 5 flops
60975  s_r(2, 4, 4) = s_r(2, 4, 4) + e_2_2_4*(1)*s_r_t2_6 ! cost: 5 flops
60976  s_r(2, 4, 4) = s_r(2, 4, 4) + e_3_2_4*(1)*s_r_t2_7 ! cost: 5 flops
60977  s_r(2, 4, 4) = s_r(2, 4, 4) + e_4_2_4*(1)*s_r_t2_8 ! cost: 5 flops
60978  s_r(2, 4, 4) = s_r(2, 4, 4) + e_5_2_4*(1)*s_r_t2_9 ! cost: 5 flops
60979  s_r(2, 4, 4) = s_r(2, 4, 4) + e_6_2_4*(1)*s_r_t2_10 ! cost: 5 flops
60980  s_r(3, 4, 4) = s_r(3, 4, 4) + e_0_3_4*(1)*s_r_t2_4 ! cost: 5 flops
60981  s_r(3, 4, 4) = s_r(3, 4, 4) + e_1_3_4*(1)*s_r_t2_5 ! cost: 5 flops
60982  s_r(3, 4, 4) = s_r(3, 4, 4) + e_2_3_4*(1)*s_r_t2_6 ! cost: 5 flops
60983  s_r(3, 4, 4) = s_r(3, 4, 4) + e_3_3_4*(1)*s_r_t2_7 ! cost: 5 flops
60984  s_r(3, 4, 4) = s_r(3, 4, 4) + e_4_3_4*(1)*s_r_t2_8 ! cost: 5 flops
60985  s_r(3, 4, 4) = s_r(3, 4, 4) + e_5_3_4*(1)*s_r_t2_9 ! cost: 5 flops
60986  s_r(3, 4, 4) = s_r(3, 4, 4) + e_6_3_4*(1)*s_r_t2_10 ! cost: 5 flops
60987  s_r(3, 4, 4) = s_r(3, 4, 4) + e_7_3_4*(1)*s_r_t2_11 ! cost: 5 flops
60988  s_r(4, 4, 4) = s_r(4, 4, 4) + e_0_4_4*(1)*s_r_t2_4 ! cost: 5 flops
60989  s_r(4, 4, 4) = s_r(4, 4, 4) + e_1_4_4*(1)*s_r_t2_5 ! cost: 5 flops
60990  s_r(4, 4, 4) = s_r(4, 4, 4) + e_2_4_4*(1)*s_r_t2_6 ! cost: 5 flops
60991  s_r(4, 4, 4) = s_r(4, 4, 4) + e_3_4_4*(1)*s_r_t2_7 ! cost: 5 flops
60992  s_r(4, 4, 4) = s_r(4, 4, 4) + e_4_4_4*(1)*s_r_t2_8 ! cost: 5 flops
60993  s_r(4, 4, 4) = s_r(4, 4, 4) + e_5_4_4*(1)*s_r_t2_9 ! cost: 5 flops
60994  s_r(4, 4, 4) = s_r(4, 4, 4) + e_6_4_4*(1)*s_r_t2_10 ! cost: 5 flops
60995  s_r(4, 4, 4) = s_r(4, 4, 4) + e_7_4_4*(1)*s_r_t2_11 ! cost: 5 flops
60996  s_r(4, 4, 4) = s_r(4, 4, 4) + e_8_4_4*(1)*s_r_t2_12 ! cost: 5 flops
60997  r1 = r1 + dr
60998  END DO
60999 
61000  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
61001  END SUBROUTINE
61002  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_0_0_exp_1 ( &
61003  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
61004  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
61005  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
61006  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
61007  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
61008  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
61009  r_pow_t, r_tmp, rr1_delta, rr2_delta
61010 
61011  REAL(kind=dp) :: s_r_t_0
61012  REAL(kind=dp) :: s_r_t2_0
61013  REAL(kind=dp) :: h_to_c_0_0
61014  REAL(kind=dp) :: e_0_0_0
61015 
61016  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
61017 
61018  dr = lgth
61019  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
61020 
61021  s_r(:, :, :) = 0.0_dp
61022 
61023  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
61024 
61025  h_to_c_0_0 = sqrt(alpha/pi)
61026 
61027 
61028  exp_drsq = exp(-alpha*dr*dr)
61029  exp_2drsq = exp_drsq*exp_drsq
61030 
61031  rr1_delta = (ra - rb)/dr
61032 
61033  rr1_l = ceiling(-r_c(1) + rr1_delta)
61034  rr1_r = floor(r_c(1) + rr1_delta)
61035 
61036  r1 = rr1_l*dr
61037 
61038  alpha_e = zeta*zetb/(zeta + zetb)
61039 
61040  DO rr1 = rr1_l, rr1_r
61041  s_r_t_0 = 0.0_dp
61042  s_r_t2_0 = 0.0_dp
61043  r_tmp = r_offset + r1*zeta/(zeta + zetb)
61044  rr2_delta = -r_tmp/dr
61045 
61046  rr2_l = ceiling(-r_c(2) + rr2_delta)
61047  rr2_r = floor(r_c(2) + rr2_delta)
61048 
61049  r = r_tmp + (rr2_l)*dr
61050 
61051  exp2_2rdr = exp(-2*alpha*r*dr)
61052  exp2_rsq = exp(-alpha*r*r)
61053 
61054  DO rr2 = rr2_l, rr2_r
61055  r_pow_t = 1.0_dp
61056  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
61057 
61058  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
61059  exp2_2rdr = exp2_2rdr*exp_2drsq
61060  r = r + dr
61061  END DO
61062 
61063  ! C --> H
61064  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
61065 
61066  ! H --> HH
61067  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
61068 
61069 
61070 
61071  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
61072  r1 = r1 + dr
61073  END DO
61074 
61075  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
61076  END SUBROUTINE
61077  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_0_1_exp_1 ( &
61078  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
61079  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
61080  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
61081  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
61082  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
61083  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
61084  r_pow_t, r_tmp, rr1_delta, rr2_delta
61085 
61086  REAL(kind=dp) :: c1, c2, c3
61087  REAL(kind=dp) :: s_r_t_0, s_r_t_1
61088  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1
61089  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1
61090  REAL(kind=dp) :: e_0_0_0
61091 
61092  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
61093 
61094  dr = lgth
61095  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
61096 
61097  s_r(:, :, :) = 0.0_dp
61098 
61099  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
61100 
61101  h_to_c_0_0 = sqrt(alpha/pi)
61102 
61103  h_to_c_0_1 = 0.0_dp
61104  h_to_c_1_1 = +2*alpha*h_to_c_0_0
61105 
61106  exp_drsq = exp(-alpha*dr*dr)
61107  exp_2drsq = exp_drsq*exp_drsq
61108 
61109  rr1_delta = (ra - rb)/dr
61110 
61111  rr1_l = ceiling(-r_c(1) + rr1_delta)
61112  rr1_r = floor(r_c(1) + rr1_delta)
61113 
61114  r1 = rr1_l*dr
61115 
61116  alpha_e = zeta*zetb/(zeta + zetb)
61117 
61118  DO rr1 = rr1_l, rr1_r
61119  s_r_t_0 = 0.0_dp
61120  s_r_t2_0 = 0.0_dp
61121  s_r_t_1 = 0.0_dp
61122  s_r_t2_1 = 0.0_dp
61123  r_tmp = r_offset + r1*zeta/(zeta + zetb)
61124  rr2_delta = -r_tmp/dr
61125 
61126  rr2_l = ceiling(-r_c(2) + rr2_delta)
61127  rr2_r = floor(r_c(2) + rr2_delta)
61128 
61129  r = r_tmp + (rr2_l)*dr
61130 
61131  exp2_2rdr = exp(-2*alpha*r*dr)
61132  exp2_rsq = exp(-alpha*r*r)
61133 
61134  DO rr2 = rr2_l, rr2_r
61135  r_pow_t = 1.0_dp
61136  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
61137  r_pow_t = r_pow_t*r
61138  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
61139 
61140  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
61141  exp2_2rdr = exp2_2rdr*exp_2drsq
61142  r = r + dr
61143  END DO
61144 
61145  ! C --> H
61146  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
61147  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
61148  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
61149 
61150  ! H --> HH
61151  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
61152 
61153  c1 = 1.0_dp/(zeta + zetb)
61154  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
61155  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
61156 
61157 
61158  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
61159  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
61160  r1 = r1 + dr
61161  END DO
61162 
61163  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
61164  END SUBROUTINE
61165  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_0_2_exp_1 ( &
61166  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
61167  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
61168  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
61169  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
61170  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
61171  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
61172  r_pow_t, r_tmp, rr1_delta, rr2_delta
61173 
61174  REAL(kind=dp) :: c1, c2, c3
61175  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2
61176  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2
61177  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2
61178  REAL(kind=dp) :: e_0_0_0
61179 
61180  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
61181 
61182  dr = lgth
61183  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
61184 
61185  s_r(:, :, :) = 0.0_dp
61186 
61187  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
61188 
61189  h_to_c_0_0 = sqrt(alpha/pi)
61190 
61191  h_to_c_0_1 = 0.0_dp
61192  h_to_c_1_1 = +2*alpha*h_to_c_0_0
61193  h_to_c_0_2 = -1*h_to_c_1_1
61194  h_to_c_1_2 = +2*alpha*h_to_c_0_1
61195  h_to_c_2_2 = +2*alpha*h_to_c_1_1
61196 
61197  exp_drsq = exp(-alpha*dr*dr)
61198  exp_2drsq = exp_drsq*exp_drsq
61199 
61200  rr1_delta = (ra - rb)/dr
61201 
61202  rr1_l = ceiling(-r_c(1) + rr1_delta)
61203  rr1_r = floor(r_c(1) + rr1_delta)
61204 
61205  r1 = rr1_l*dr
61206 
61207  alpha_e = zeta*zetb/(zeta + zetb)
61208 
61209  DO rr1 = rr1_l, rr1_r
61210  s_r_t_0 = 0.0_dp
61211  s_r_t2_0 = 0.0_dp
61212  s_r_t_1 = 0.0_dp
61213  s_r_t2_1 = 0.0_dp
61214  s_r_t_2 = 0.0_dp
61215  s_r_t2_2 = 0.0_dp
61216  r_tmp = r_offset + r1*zeta/(zeta + zetb)
61217  rr2_delta = -r_tmp/dr
61218 
61219  rr2_l = ceiling(-r_c(2) + rr2_delta)
61220  rr2_r = floor(r_c(2) + rr2_delta)
61221 
61222  r = r_tmp + (rr2_l)*dr
61223 
61224  exp2_2rdr = exp(-2*alpha*r*dr)
61225  exp2_rsq = exp(-alpha*r*r)
61226 
61227  DO rr2 = rr2_l, rr2_r
61228  r_pow_t = 1.0_dp
61229  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
61230  r_pow_t = r_pow_t*r
61231  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
61232  r_pow_t = r_pow_t*r
61233  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
61234 
61235  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
61236  exp2_2rdr = exp2_2rdr*exp_2drsq
61237  r = r + dr
61238  END DO
61239 
61240  ! C --> H
61241  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
61242  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
61243  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
61244  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
61245  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
61246  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
61247 
61248  ! H --> HH
61249  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
61250 
61251  c1 = 1.0_dp/(zeta + zetb)
61252  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
61253  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
61254 
61255 
61256  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
61257  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
61258  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
61259  r1 = r1 + dr
61260  END DO
61261 
61262  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
61263  END SUBROUTINE
61264  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_0_3_exp_1 ( &
61265  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
61266  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
61267  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
61268  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
61269  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
61270  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
61271  r_pow_t, r_tmp, rr1_delta, rr2_delta
61272 
61273  REAL(kind=dp) :: c1, c2, c3
61274  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
61275  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
61276  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
61277  & h_to_c_3_3
61278  REAL(kind=dp) :: e_0_0_0
61279 
61280  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
61281 
61282  dr = lgth
61283  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
61284 
61285  s_r(:, :, :) = 0.0_dp
61286 
61287  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
61288 
61289  h_to_c_0_0 = sqrt(alpha/pi)
61290 
61291  h_to_c_0_1 = 0.0_dp
61292  h_to_c_1_1 = +2*alpha*h_to_c_0_0
61293  h_to_c_0_2 = -1*h_to_c_1_1
61294  h_to_c_1_2 = +2*alpha*h_to_c_0_1
61295  h_to_c_2_2 = +2*alpha*h_to_c_1_1
61296  h_to_c_0_3 = -1*h_to_c_1_2
61297  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
61298  h_to_c_2_3 = +2*alpha*h_to_c_1_2
61299  h_to_c_3_3 = +2*alpha*h_to_c_2_2
61300 
61301  exp_drsq = exp(-alpha*dr*dr)
61302  exp_2drsq = exp_drsq*exp_drsq
61303 
61304  rr1_delta = (ra - rb)/dr
61305 
61306  rr1_l = ceiling(-r_c(1) + rr1_delta)
61307  rr1_r = floor(r_c(1) + rr1_delta)
61308 
61309  r1 = rr1_l*dr
61310 
61311  alpha_e = zeta*zetb/(zeta + zetb)
61312 
61313  DO rr1 = rr1_l, rr1_r
61314  s_r_t_0 = 0.0_dp
61315  s_r_t2_0 = 0.0_dp
61316  s_r_t_1 = 0.0_dp
61317  s_r_t2_1 = 0.0_dp
61318  s_r_t_2 = 0.0_dp
61319  s_r_t2_2 = 0.0_dp
61320  s_r_t_3 = 0.0_dp
61321  s_r_t2_3 = 0.0_dp
61322  r_tmp = r_offset + r1*zeta/(zeta + zetb)
61323  rr2_delta = -r_tmp/dr
61324 
61325  rr2_l = ceiling(-r_c(2) + rr2_delta)
61326  rr2_r = floor(r_c(2) + rr2_delta)
61327 
61328  r = r_tmp + (rr2_l)*dr
61329 
61330  exp2_2rdr = exp(-2*alpha*r*dr)
61331  exp2_rsq = exp(-alpha*r*r)
61332 
61333  DO rr2 = rr2_l, rr2_r
61334  r_pow_t = 1.0_dp
61335  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
61336  r_pow_t = r_pow_t*r
61337  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
61338  r_pow_t = r_pow_t*r
61339  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
61340  r_pow_t = r_pow_t*r
61341  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
61342 
61343  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
61344  exp2_2rdr = exp2_2rdr*exp_2drsq
61345  r = r + dr
61346  END DO
61347 
61348  ! C --> H
61349  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
61350  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
61351  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
61352  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
61353  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
61354  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
61355  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
61356  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
61357  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
61358  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
61359 
61360  ! H --> HH
61361  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
61362 
61363  c1 = 1.0_dp/(zeta + zetb)
61364  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
61365  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
61366 
61367 
61368  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
61369  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
61370  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
61371  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
61372  r1 = r1 + dr
61373  END DO
61374 
61375  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
61376  END SUBROUTINE
61377  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_0_4_exp_1 ( &
61378  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
61379  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
61380  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
61381  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
61382  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
61383  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
61384  r_pow_t, r_tmp, rr1_delta, rr2_delta
61385 
61386  REAL(kind=dp) :: c1, c2, c3
61387  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
61388  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
61389  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
61390  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
61391  REAL(kind=dp) :: e_0_0_0
61392 
61393  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
61394 
61395  dr = lgth
61396  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
61397 
61398  s_r(:, :, :) = 0.0_dp
61399 
61400  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
61401 
61402  h_to_c_0_0 = sqrt(alpha/pi)
61403 
61404  h_to_c_0_1 = 0.0_dp
61405  h_to_c_1_1 = +2*alpha*h_to_c_0_0
61406  h_to_c_0_2 = -1*h_to_c_1_1
61407  h_to_c_1_2 = +2*alpha*h_to_c_0_1
61408  h_to_c_2_2 = +2*alpha*h_to_c_1_1
61409  h_to_c_0_3 = -1*h_to_c_1_2
61410  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
61411  h_to_c_2_3 = +2*alpha*h_to_c_1_2
61412  h_to_c_3_3 = +2*alpha*h_to_c_2_2
61413  h_to_c_0_4 = -1*h_to_c_1_3
61414  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
61415  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
61416  h_to_c_3_4 = +2*alpha*h_to_c_2_3
61417  h_to_c_4_4 = +2*alpha*h_to_c_3_3
61418 
61419  exp_drsq = exp(-alpha*dr*dr)
61420  exp_2drsq = exp_drsq*exp_drsq
61421 
61422  rr1_delta = (ra - rb)/dr
61423 
61424  rr1_l = ceiling(-r_c(1) + rr1_delta)
61425  rr1_r = floor(r_c(1) + rr1_delta)
61426 
61427  r1 = rr1_l*dr
61428 
61429  alpha_e = zeta*zetb/(zeta + zetb)
61430 
61431  DO rr1 = rr1_l, rr1_r
61432  s_r_t_0 = 0.0_dp
61433  s_r_t2_0 = 0.0_dp
61434  s_r_t_1 = 0.0_dp
61435  s_r_t2_1 = 0.0_dp
61436  s_r_t_2 = 0.0_dp
61437  s_r_t2_2 = 0.0_dp
61438  s_r_t_3 = 0.0_dp
61439  s_r_t2_3 = 0.0_dp
61440  s_r_t_4 = 0.0_dp
61441  s_r_t2_4 = 0.0_dp
61442  r_tmp = r_offset + r1*zeta/(zeta + zetb)
61443  rr2_delta = -r_tmp/dr
61444 
61445  rr2_l = ceiling(-r_c(2) + rr2_delta)
61446  rr2_r = floor(r_c(2) + rr2_delta)
61447 
61448  r = r_tmp + (rr2_l)*dr
61449 
61450  exp2_2rdr = exp(-2*alpha*r*dr)
61451  exp2_rsq = exp(-alpha*r*r)
61452 
61453  DO rr2 = rr2_l, rr2_r
61454  r_pow_t = 1.0_dp
61455  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
61456  r_pow_t = r_pow_t*r
61457  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
61458  r_pow_t = r_pow_t*r
61459  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
61460  r_pow_t = r_pow_t*r
61461  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
61462  r_pow_t = r_pow_t*r
61463  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
61464 
61465  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
61466  exp2_2rdr = exp2_2rdr*exp_2drsq
61467  r = r + dr
61468  END DO
61469 
61470  ! C --> H
61471  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
61472  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
61473  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
61474  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
61475  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
61476  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
61477  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
61478  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
61479  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
61480  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
61481  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
61482  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
61483  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
61484  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
61485  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
61486 
61487  ! H --> HH
61488  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
61489 
61490  c1 = 1.0_dp/(zeta + zetb)
61491  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
61492  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
61493 
61494 
61495  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
61496  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
61497  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
61498  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
61499  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
61500  r1 = r1 + dr
61501  END DO
61502 
61503  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
61504  END SUBROUTINE
61505  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_1_0_exp_1 ( &
61506  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
61507  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
61508  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
61509  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
61510  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
61511  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
61512  r_pow_t, r_tmp, rr1_delta, rr2_delta
61513 
61514  REAL(kind=dp) :: c1, c2, c3
61515  REAL(kind=dp) :: s_r_t_0, s_r_t_1
61516  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1
61517  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1
61518  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1
61519 
61520  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
61521 
61522  dr = lgth
61523  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
61524 
61525  s_r(:, :, :) = 0.0_dp
61526 
61527  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
61528 
61529  h_to_c_0_0 = sqrt(alpha/pi)
61530 
61531  h_to_c_0_1 = 0.0_dp
61532  h_to_c_1_1 = +2*alpha*h_to_c_0_0
61533 
61534  exp_drsq = exp(-alpha*dr*dr)
61535  exp_2drsq = exp_drsq*exp_drsq
61536 
61537  rr1_delta = (ra - rb)/dr
61538 
61539  rr1_l = ceiling(-r_c(1) + rr1_delta)
61540  rr1_r = floor(r_c(1) + rr1_delta)
61541 
61542  r1 = rr1_l*dr
61543 
61544  alpha_e = zeta*zetb/(zeta + zetb)
61545 
61546  DO rr1 = rr1_l, rr1_r
61547  s_r_t_0 = 0.0_dp
61548  s_r_t2_0 = 0.0_dp
61549  s_r_t_1 = 0.0_dp
61550  s_r_t2_1 = 0.0_dp
61551  r_tmp = r_offset + r1*zeta/(zeta + zetb)
61552  rr2_delta = -r_tmp/dr
61553 
61554  rr2_l = ceiling(-r_c(2) + rr2_delta)
61555  rr2_r = floor(r_c(2) + rr2_delta)
61556 
61557  r = r_tmp + (rr2_l)*dr
61558 
61559  exp2_2rdr = exp(-2*alpha*r*dr)
61560  exp2_rsq = exp(-alpha*r*r)
61561 
61562  DO rr2 = rr2_l, rr2_r
61563  r_pow_t = 1.0_dp
61564  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
61565  r_pow_t = r_pow_t*r
61566  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
61567 
61568  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
61569  exp2_2rdr = exp2_2rdr*exp_2drsq
61570  r = r + dr
61571  END DO
61572 
61573  ! C --> H
61574  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
61575  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
61576  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
61577 
61578  ! H --> HH
61579  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
61580 
61581  c1 = 1.0_dp/(zeta + zetb)
61582  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
61583  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
61584 
61585  e_0_0_1 = zetb*( &
61586  +c3*e_0_0_0&
61587 
61588  )
61589  e_1_0_1 = zetb*( c1*e_0_0_0 &
61590 
61591 
61592  )
61593 
61594  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
61595  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
61596  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
61597  r1 = r1 + dr
61598  END DO
61599 
61600  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
61601  END SUBROUTINE
61602  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_1_1_exp_1 ( &
61603  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
61604  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
61605  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
61606  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
61607  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
61608  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
61609  r_pow_t, r_tmp, rr1_delta, rr2_delta
61610 
61611  REAL(kind=dp) :: c1, c2, c3
61612  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2
61613  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2
61614  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2
61615  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1
61616 
61617  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
61618 
61619  dr = lgth
61620  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
61621 
61622  s_r(:, :, :) = 0.0_dp
61623 
61624  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
61625 
61626  h_to_c_0_0 = sqrt(alpha/pi)
61627 
61628  h_to_c_0_1 = 0.0_dp
61629  h_to_c_1_1 = +2*alpha*h_to_c_0_0
61630  h_to_c_0_2 = -1*h_to_c_1_1
61631  h_to_c_1_2 = +2*alpha*h_to_c_0_1
61632  h_to_c_2_2 = +2*alpha*h_to_c_1_1
61633 
61634  exp_drsq = exp(-alpha*dr*dr)
61635  exp_2drsq = exp_drsq*exp_drsq
61636 
61637  rr1_delta = (ra - rb)/dr
61638 
61639  rr1_l = ceiling(-r_c(1) + rr1_delta)
61640  rr1_r = floor(r_c(1) + rr1_delta)
61641 
61642  r1 = rr1_l*dr
61643 
61644  alpha_e = zeta*zetb/(zeta + zetb)
61645 
61646  DO rr1 = rr1_l, rr1_r
61647  s_r_t_0 = 0.0_dp
61648  s_r_t2_0 = 0.0_dp
61649  s_r_t_1 = 0.0_dp
61650  s_r_t2_1 = 0.0_dp
61651  s_r_t_2 = 0.0_dp
61652  s_r_t2_2 = 0.0_dp
61653  r_tmp = r_offset + r1*zeta/(zeta + zetb)
61654  rr2_delta = -r_tmp/dr
61655 
61656  rr2_l = ceiling(-r_c(2) + rr2_delta)
61657  rr2_r = floor(r_c(2) + rr2_delta)
61658 
61659  r = r_tmp + (rr2_l)*dr
61660 
61661  exp2_2rdr = exp(-2*alpha*r*dr)
61662  exp2_rsq = exp(-alpha*r*r)
61663 
61664  DO rr2 = rr2_l, rr2_r
61665  r_pow_t = 1.0_dp
61666  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
61667  r_pow_t = r_pow_t*r
61668  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
61669  r_pow_t = r_pow_t*r
61670  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
61671 
61672  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
61673  exp2_2rdr = exp2_2rdr*exp_2drsq
61674  r = r + dr
61675  END DO
61676 
61677  ! C --> H
61678  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
61679  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
61680  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
61681  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
61682  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
61683  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
61684 
61685  ! H --> HH
61686  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
61687 
61688  c1 = 1.0_dp/(zeta + zetb)
61689  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
61690  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
61691 
61692  e_0_0_1 = zetb*( &
61693  +c3*e_0_0_0&
61694 
61695  )
61696  e_1_0_1 = zetb*( c1*e_0_0_0 &
61697 
61698 
61699  )
61700 
61701  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
61702  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
61703  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
61704  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
61705  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
61706  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
61707  r1 = r1 + dr
61708  END DO
61709 
61710  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
61711  END SUBROUTINE
61712  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_1_2_exp_1 ( &
61713  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
61714  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
61715  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
61716  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
61717  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
61718  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
61719  r_pow_t, r_tmp, rr1_delta, rr2_delta
61720 
61721  REAL(kind=dp) :: c1, c2, c3
61722  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
61723  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
61724  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
61725  & h_to_c_3_3
61726  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1
61727 
61728  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
61729 
61730  dr = lgth
61731  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
61732 
61733  s_r(:, :, :) = 0.0_dp
61734 
61735  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
61736 
61737  h_to_c_0_0 = sqrt(alpha/pi)
61738 
61739  h_to_c_0_1 = 0.0_dp
61740  h_to_c_1_1 = +2*alpha*h_to_c_0_0
61741  h_to_c_0_2 = -1*h_to_c_1_1
61742  h_to_c_1_2 = +2*alpha*h_to_c_0_1
61743  h_to_c_2_2 = +2*alpha*h_to_c_1_1
61744  h_to_c_0_3 = -1*h_to_c_1_2
61745  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
61746  h_to_c_2_3 = +2*alpha*h_to_c_1_2
61747  h_to_c_3_3 = +2*alpha*h_to_c_2_2
61748 
61749  exp_drsq = exp(-alpha*dr*dr)
61750  exp_2drsq = exp_drsq*exp_drsq
61751 
61752  rr1_delta = (ra - rb)/dr
61753 
61754  rr1_l = ceiling(-r_c(1) + rr1_delta)
61755  rr1_r = floor(r_c(1) + rr1_delta)
61756 
61757  r1 = rr1_l*dr
61758 
61759  alpha_e = zeta*zetb/(zeta + zetb)
61760 
61761  DO rr1 = rr1_l, rr1_r
61762  s_r_t_0 = 0.0_dp
61763  s_r_t2_0 = 0.0_dp
61764  s_r_t_1 = 0.0_dp
61765  s_r_t2_1 = 0.0_dp
61766  s_r_t_2 = 0.0_dp
61767  s_r_t2_2 = 0.0_dp
61768  s_r_t_3 = 0.0_dp
61769  s_r_t2_3 = 0.0_dp
61770  r_tmp = r_offset + r1*zeta/(zeta + zetb)
61771  rr2_delta = -r_tmp/dr
61772 
61773  rr2_l = ceiling(-r_c(2) + rr2_delta)
61774  rr2_r = floor(r_c(2) + rr2_delta)
61775 
61776  r = r_tmp + (rr2_l)*dr
61777 
61778  exp2_2rdr = exp(-2*alpha*r*dr)
61779  exp2_rsq = exp(-alpha*r*r)
61780 
61781  DO rr2 = rr2_l, rr2_r
61782  r_pow_t = 1.0_dp
61783  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
61784  r_pow_t = r_pow_t*r
61785  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
61786  r_pow_t = r_pow_t*r
61787  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
61788  r_pow_t = r_pow_t*r
61789  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
61790 
61791  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
61792  exp2_2rdr = exp2_2rdr*exp_2drsq
61793  r = r + dr
61794  END DO
61795 
61796  ! C --> H
61797  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
61798  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
61799  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
61800  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
61801  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
61802  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
61803  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
61804  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
61805  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
61806  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
61807 
61808  ! H --> HH
61809  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
61810 
61811  c1 = 1.0_dp/(zeta + zetb)
61812  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
61813  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
61814 
61815  e_0_0_1 = zetb*( &
61816  +c3*e_0_0_0&
61817 
61818  )
61819  e_1_0_1 = zetb*( c1*e_0_0_0 &
61820 
61821 
61822  )
61823 
61824  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
61825  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
61826  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
61827  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
61828  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
61829  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
61830  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
61831  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
61832  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
61833  r1 = r1 + dr
61834  END DO
61835 
61836  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
61837  END SUBROUTINE
61838  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_1_3_exp_1 ( &
61839  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
61840  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
61841  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
61842  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
61843  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
61844  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
61845  r_pow_t, r_tmp, rr1_delta, rr2_delta
61846 
61847  REAL(kind=dp) :: c1, c2, c3
61848  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
61849  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
61850  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
61851  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
61852  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1
61853 
61854  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
61855 
61856  dr = lgth
61857  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
61858 
61859  s_r(:, :, :) = 0.0_dp
61860 
61861  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
61862 
61863  h_to_c_0_0 = sqrt(alpha/pi)
61864 
61865  h_to_c_0_1 = 0.0_dp
61866  h_to_c_1_1 = +2*alpha*h_to_c_0_0
61867  h_to_c_0_2 = -1*h_to_c_1_1
61868  h_to_c_1_2 = +2*alpha*h_to_c_0_1
61869  h_to_c_2_2 = +2*alpha*h_to_c_1_1
61870  h_to_c_0_3 = -1*h_to_c_1_2
61871  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
61872  h_to_c_2_3 = +2*alpha*h_to_c_1_2
61873  h_to_c_3_3 = +2*alpha*h_to_c_2_2
61874  h_to_c_0_4 = -1*h_to_c_1_3
61875  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
61876  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
61877  h_to_c_3_4 = +2*alpha*h_to_c_2_3
61878  h_to_c_4_4 = +2*alpha*h_to_c_3_3
61879 
61880  exp_drsq = exp(-alpha*dr*dr)
61881  exp_2drsq = exp_drsq*exp_drsq
61882 
61883  rr1_delta = (ra - rb)/dr
61884 
61885  rr1_l = ceiling(-r_c(1) + rr1_delta)
61886  rr1_r = floor(r_c(1) + rr1_delta)
61887 
61888  r1 = rr1_l*dr
61889 
61890  alpha_e = zeta*zetb/(zeta + zetb)
61891 
61892  DO rr1 = rr1_l, rr1_r
61893  s_r_t_0 = 0.0_dp
61894  s_r_t2_0 = 0.0_dp
61895  s_r_t_1 = 0.0_dp
61896  s_r_t2_1 = 0.0_dp
61897  s_r_t_2 = 0.0_dp
61898  s_r_t2_2 = 0.0_dp
61899  s_r_t_3 = 0.0_dp
61900  s_r_t2_3 = 0.0_dp
61901  s_r_t_4 = 0.0_dp
61902  s_r_t2_4 = 0.0_dp
61903  r_tmp = r_offset + r1*zeta/(zeta + zetb)
61904  rr2_delta = -r_tmp/dr
61905 
61906  rr2_l = ceiling(-r_c(2) + rr2_delta)
61907  rr2_r = floor(r_c(2) + rr2_delta)
61908 
61909  r = r_tmp + (rr2_l)*dr
61910 
61911  exp2_2rdr = exp(-2*alpha*r*dr)
61912  exp2_rsq = exp(-alpha*r*r)
61913 
61914  DO rr2 = rr2_l, rr2_r
61915  r_pow_t = 1.0_dp
61916  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
61917  r_pow_t = r_pow_t*r
61918  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
61919  r_pow_t = r_pow_t*r
61920  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
61921  r_pow_t = r_pow_t*r
61922  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
61923  r_pow_t = r_pow_t*r
61924  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
61925 
61926  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
61927  exp2_2rdr = exp2_2rdr*exp_2drsq
61928  r = r + dr
61929  END DO
61930 
61931  ! C --> H
61932  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
61933  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
61934  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
61935  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
61936  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
61937  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
61938  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
61939  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
61940  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
61941  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
61942  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
61943  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
61944  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
61945  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
61946  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
61947 
61948  ! H --> HH
61949  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
61950 
61951  c1 = 1.0_dp/(zeta + zetb)
61952  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
61953  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
61954 
61955  e_0_0_1 = zetb*( &
61956  +c3*e_0_0_0&
61957 
61958  )
61959  e_1_0_1 = zetb*( c1*e_0_0_0 &
61960 
61961 
61962  )
61963 
61964  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
61965  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
61966  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
61967  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
61968  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
61969  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
61970  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
61971  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
61972  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
61973  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
61974  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
61975  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
61976  r1 = r1 + dr
61977  END DO
61978 
61979  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
61980  END SUBROUTINE
61981  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_1_4_exp_1 ( &
61982  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
61983  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
61984  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
61985  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
61986  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
61987  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
61988  r_pow_t, r_tmp, rr1_delta, rr2_delta
61989 
61990  REAL(kind=dp) :: c1, c2, c3
61991  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
61992  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
61993  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
61994  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
61995  & h_to_c_4_5, h_to_c_5_5
61996  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1
61997 
61998  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
61999 
62000  dr = lgth
62001  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
62002 
62003  s_r(:, :, :) = 0.0_dp
62004 
62005  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
62006 
62007  h_to_c_0_0 = sqrt(alpha/pi)
62008 
62009  h_to_c_0_1 = 0.0_dp
62010  h_to_c_1_1 = +2*alpha*h_to_c_0_0
62011  h_to_c_0_2 = -1*h_to_c_1_1
62012  h_to_c_1_2 = +2*alpha*h_to_c_0_1
62013  h_to_c_2_2 = +2*alpha*h_to_c_1_1
62014  h_to_c_0_3 = -1*h_to_c_1_2
62015  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
62016  h_to_c_2_3 = +2*alpha*h_to_c_1_2
62017  h_to_c_3_3 = +2*alpha*h_to_c_2_2
62018  h_to_c_0_4 = -1*h_to_c_1_3
62019  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
62020  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
62021  h_to_c_3_4 = +2*alpha*h_to_c_2_3
62022  h_to_c_4_4 = +2*alpha*h_to_c_3_3
62023  h_to_c_0_5 = -1*h_to_c_1_4
62024  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
62025  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
62026  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
62027  h_to_c_4_5 = +2*alpha*h_to_c_3_4
62028  h_to_c_5_5 = +2*alpha*h_to_c_4_4
62029 
62030  exp_drsq = exp(-alpha*dr*dr)
62031  exp_2drsq = exp_drsq*exp_drsq
62032 
62033  rr1_delta = (ra - rb)/dr
62034 
62035  rr1_l = ceiling(-r_c(1) + rr1_delta)
62036  rr1_r = floor(r_c(1) + rr1_delta)
62037 
62038  r1 = rr1_l*dr
62039 
62040  alpha_e = zeta*zetb/(zeta + zetb)
62041 
62042  DO rr1 = rr1_l, rr1_r
62043  s_r_t_0 = 0.0_dp
62044  s_r_t2_0 = 0.0_dp
62045  s_r_t_1 = 0.0_dp
62046  s_r_t2_1 = 0.0_dp
62047  s_r_t_2 = 0.0_dp
62048  s_r_t2_2 = 0.0_dp
62049  s_r_t_3 = 0.0_dp
62050  s_r_t2_3 = 0.0_dp
62051  s_r_t_4 = 0.0_dp
62052  s_r_t2_4 = 0.0_dp
62053  s_r_t_5 = 0.0_dp
62054  s_r_t2_5 = 0.0_dp
62055  r_tmp = r_offset + r1*zeta/(zeta + zetb)
62056  rr2_delta = -r_tmp/dr
62057 
62058  rr2_l = ceiling(-r_c(2) + rr2_delta)
62059  rr2_r = floor(r_c(2) + rr2_delta)
62060 
62061  r = r_tmp + (rr2_l)*dr
62062 
62063  exp2_2rdr = exp(-2*alpha*r*dr)
62064  exp2_rsq = exp(-alpha*r*r)
62065 
62066  DO rr2 = rr2_l, rr2_r
62067  r_pow_t = 1.0_dp
62068  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
62069  r_pow_t = r_pow_t*r
62070  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
62071  r_pow_t = r_pow_t*r
62072  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
62073  r_pow_t = r_pow_t*r
62074  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
62075  r_pow_t = r_pow_t*r
62076  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
62077  r_pow_t = r_pow_t*r
62078  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
62079 
62080  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
62081  exp2_2rdr = exp2_2rdr*exp_2drsq
62082  r = r + dr
62083  END DO
62084 
62085  ! C --> H
62086  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
62087  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
62088  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
62089  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
62090  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
62091  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
62092  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
62093  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
62094  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
62095  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
62096  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
62097  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
62098  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
62099  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
62100  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
62101  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
62102  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
62103  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
62104  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
62105  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
62106  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
62107 
62108  ! H --> HH
62109  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
62110 
62111  c1 = 1.0_dp/(zeta + zetb)
62112  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
62113  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
62114 
62115  e_0_0_1 = zetb*( &
62116  +c3*e_0_0_0&
62117 
62118  )
62119  e_1_0_1 = zetb*( c1*e_0_0_0 &
62120 
62121 
62122  )
62123 
62124  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
62125  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
62126  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
62127  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
62128  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
62129  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
62130  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
62131  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
62132  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
62133  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
62134  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
62135  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
62136  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
62137  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
62138  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
62139  r1 = r1 + dr
62140  END DO
62141 
62142  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
62143  END SUBROUTINE
62144  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_2_0_exp_1 ( &
62145  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
62146  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
62147  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
62148  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
62149  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
62150  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
62151  r_pow_t, r_tmp, rr1_delta, rr2_delta
62152 
62153  REAL(kind=dp) :: c1, c2, c3
62154  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2
62155  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2
62156  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2
62157  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2
62158 
62159  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
62160 
62161  dr = lgth
62162  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
62163 
62164  s_r(:, :, :) = 0.0_dp
62165 
62166  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
62167 
62168  h_to_c_0_0 = sqrt(alpha/pi)
62169 
62170  h_to_c_0_1 = 0.0_dp
62171  h_to_c_1_1 = +2*alpha*h_to_c_0_0
62172  h_to_c_0_2 = -1*h_to_c_1_1
62173  h_to_c_1_2 = +2*alpha*h_to_c_0_1
62174  h_to_c_2_2 = +2*alpha*h_to_c_1_1
62175 
62176  exp_drsq = exp(-alpha*dr*dr)
62177  exp_2drsq = exp_drsq*exp_drsq
62178 
62179  rr1_delta = (ra - rb)/dr
62180 
62181  rr1_l = ceiling(-r_c(1) + rr1_delta)
62182  rr1_r = floor(r_c(1) + rr1_delta)
62183 
62184  r1 = rr1_l*dr
62185 
62186  alpha_e = zeta*zetb/(zeta + zetb)
62187 
62188  DO rr1 = rr1_l, rr1_r
62189  s_r_t_0 = 0.0_dp
62190  s_r_t2_0 = 0.0_dp
62191  s_r_t_1 = 0.0_dp
62192  s_r_t2_1 = 0.0_dp
62193  s_r_t_2 = 0.0_dp
62194  s_r_t2_2 = 0.0_dp
62195  r_tmp = r_offset + r1*zeta/(zeta + zetb)
62196  rr2_delta = -r_tmp/dr
62197 
62198  rr2_l = ceiling(-r_c(2) + rr2_delta)
62199  rr2_r = floor(r_c(2) + rr2_delta)
62200 
62201  r = r_tmp + (rr2_l)*dr
62202 
62203  exp2_2rdr = exp(-2*alpha*r*dr)
62204  exp2_rsq = exp(-alpha*r*r)
62205 
62206  DO rr2 = rr2_l, rr2_r
62207  r_pow_t = 1.0_dp
62208  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
62209  r_pow_t = r_pow_t*r
62210  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
62211  r_pow_t = r_pow_t*r
62212  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
62213 
62214  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
62215  exp2_2rdr = exp2_2rdr*exp_2drsq
62216  r = r + dr
62217  END DO
62218 
62219  ! C --> H
62220  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
62221  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
62222  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
62223  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
62224  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
62225  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
62226 
62227  ! H --> HH
62228  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
62229 
62230  c1 = 1.0_dp/(zeta + zetb)
62231  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
62232  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
62233 
62234  e_0_0_1 = zetb*( &
62235  +c3*e_0_0_0&
62236 
62237  )
62238  e_1_0_1 = zetb*( c1*e_0_0_0 &
62239 
62240 
62241  )
62242  e_0_0_2 = zetb*( &
62243  +c3*e_0_0_1&
62244  +2*e_1_0_1 &
62245  -2*e_0_0_0)
62246  e_1_0_2 = zetb*( c1*e_0_0_1 &
62247  +c3*e_1_0_1&
62248 
62249  )
62250  e_2_0_2 = zetb*( c1*e_1_0_1 &
62251 
62252 
62253  )
62254 
62255  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
62256  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
62257  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
62258  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
62259  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
62260  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
62261  r1 = r1 + dr
62262  END DO
62263 
62264  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
62265  END SUBROUTINE
62266  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_2_1_exp_1 ( &
62267  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
62268  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
62269  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
62270  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
62271  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
62272  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
62273  r_pow_t, r_tmp, rr1_delta, rr2_delta
62274 
62275  REAL(kind=dp) :: c1, c2, c3
62276  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
62277  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
62278  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
62279  & h_to_c_3_3
62280  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2
62281 
62282  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
62283 
62284  dr = lgth
62285  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
62286 
62287  s_r(:, :, :) = 0.0_dp
62288 
62289  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
62290 
62291  h_to_c_0_0 = sqrt(alpha/pi)
62292 
62293  h_to_c_0_1 = 0.0_dp
62294  h_to_c_1_1 = +2*alpha*h_to_c_0_0
62295  h_to_c_0_2 = -1*h_to_c_1_1
62296  h_to_c_1_2 = +2*alpha*h_to_c_0_1
62297  h_to_c_2_2 = +2*alpha*h_to_c_1_1
62298  h_to_c_0_3 = -1*h_to_c_1_2
62299  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
62300  h_to_c_2_3 = +2*alpha*h_to_c_1_2
62301  h_to_c_3_3 = +2*alpha*h_to_c_2_2
62302 
62303  exp_drsq = exp(-alpha*dr*dr)
62304  exp_2drsq = exp_drsq*exp_drsq
62305 
62306  rr1_delta = (ra - rb)/dr
62307 
62308  rr1_l = ceiling(-r_c(1) + rr1_delta)
62309  rr1_r = floor(r_c(1) + rr1_delta)
62310 
62311  r1 = rr1_l*dr
62312 
62313  alpha_e = zeta*zetb/(zeta + zetb)
62314 
62315  DO rr1 = rr1_l, rr1_r
62316  s_r_t_0 = 0.0_dp
62317  s_r_t2_0 = 0.0_dp
62318  s_r_t_1 = 0.0_dp
62319  s_r_t2_1 = 0.0_dp
62320  s_r_t_2 = 0.0_dp
62321  s_r_t2_2 = 0.0_dp
62322  s_r_t_3 = 0.0_dp
62323  s_r_t2_3 = 0.0_dp
62324  r_tmp = r_offset + r1*zeta/(zeta + zetb)
62325  rr2_delta = -r_tmp/dr
62326 
62327  rr2_l = ceiling(-r_c(2) + rr2_delta)
62328  rr2_r = floor(r_c(2) + rr2_delta)
62329 
62330  r = r_tmp + (rr2_l)*dr
62331 
62332  exp2_2rdr = exp(-2*alpha*r*dr)
62333  exp2_rsq = exp(-alpha*r*r)
62334 
62335  DO rr2 = rr2_l, rr2_r
62336  r_pow_t = 1.0_dp
62337  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
62338  r_pow_t = r_pow_t*r
62339  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
62340  r_pow_t = r_pow_t*r
62341  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
62342  r_pow_t = r_pow_t*r
62343  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
62344 
62345  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
62346  exp2_2rdr = exp2_2rdr*exp_2drsq
62347  r = r + dr
62348  END DO
62349 
62350  ! C --> H
62351  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
62352  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
62353  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
62354  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
62355  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
62356  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
62357  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
62358  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
62359  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
62360  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
62361 
62362  ! H --> HH
62363  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
62364 
62365  c1 = 1.0_dp/(zeta + zetb)
62366  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
62367  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
62368 
62369  e_0_0_1 = zetb*( &
62370  +c3*e_0_0_0&
62371 
62372  )
62373  e_1_0_1 = zetb*( c1*e_0_0_0 &
62374 
62375 
62376  )
62377  e_0_0_2 = zetb*( &
62378  +c3*e_0_0_1&
62379  +2*e_1_0_1 &
62380  -2*e_0_0_0)
62381  e_1_0_2 = zetb*( c1*e_0_0_1 &
62382  +c3*e_1_0_1&
62383 
62384  )
62385  e_2_0_2 = zetb*( c1*e_1_0_1 &
62386 
62387 
62388  )
62389 
62390  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
62391  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
62392  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
62393  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
62394  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
62395  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
62396  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
62397  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
62398  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
62399  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
62400  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
62401  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
62402  r1 = r1 + dr
62403  END DO
62404 
62405  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
62406  END SUBROUTINE
62407  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_2_2_exp_1 ( &
62408  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
62409  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
62410  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
62411  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
62412  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
62413  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
62414  r_pow_t, r_tmp, rr1_delta, rr2_delta
62415 
62416  REAL(kind=dp) :: c1, c2, c3
62417  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
62418  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
62419  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
62420  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
62421  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2
62422 
62423  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
62424 
62425  dr = lgth
62426  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
62427 
62428  s_r(:, :, :) = 0.0_dp
62429 
62430  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
62431 
62432  h_to_c_0_0 = sqrt(alpha/pi)
62433 
62434  h_to_c_0_1 = 0.0_dp
62435  h_to_c_1_1 = +2*alpha*h_to_c_0_0
62436  h_to_c_0_2 = -1*h_to_c_1_1
62437  h_to_c_1_2 = +2*alpha*h_to_c_0_1
62438  h_to_c_2_2 = +2*alpha*h_to_c_1_1
62439  h_to_c_0_3 = -1*h_to_c_1_2
62440  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
62441  h_to_c_2_3 = +2*alpha*h_to_c_1_2
62442  h_to_c_3_3 = +2*alpha*h_to_c_2_2
62443  h_to_c_0_4 = -1*h_to_c_1_3
62444  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
62445  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
62446  h_to_c_3_4 = +2*alpha*h_to_c_2_3
62447  h_to_c_4_4 = +2*alpha*h_to_c_3_3
62448 
62449  exp_drsq = exp(-alpha*dr*dr)
62450  exp_2drsq = exp_drsq*exp_drsq
62451 
62452  rr1_delta = (ra - rb)/dr
62453 
62454  rr1_l = ceiling(-r_c(1) + rr1_delta)
62455  rr1_r = floor(r_c(1) + rr1_delta)
62456 
62457  r1 = rr1_l*dr
62458 
62459  alpha_e = zeta*zetb/(zeta + zetb)
62460 
62461  DO rr1 = rr1_l, rr1_r
62462  s_r_t_0 = 0.0_dp
62463  s_r_t2_0 = 0.0_dp
62464  s_r_t_1 = 0.0_dp
62465  s_r_t2_1 = 0.0_dp
62466  s_r_t_2 = 0.0_dp
62467  s_r_t2_2 = 0.0_dp
62468  s_r_t_3 = 0.0_dp
62469  s_r_t2_3 = 0.0_dp
62470  s_r_t_4 = 0.0_dp
62471  s_r_t2_4 = 0.0_dp
62472  r_tmp = r_offset + r1*zeta/(zeta + zetb)
62473  rr2_delta = -r_tmp/dr
62474 
62475  rr2_l = ceiling(-r_c(2) + rr2_delta)
62476  rr2_r = floor(r_c(2) + rr2_delta)
62477 
62478  r = r_tmp + (rr2_l)*dr
62479 
62480  exp2_2rdr = exp(-2*alpha*r*dr)
62481  exp2_rsq = exp(-alpha*r*r)
62482 
62483  DO rr2 = rr2_l, rr2_r
62484  r_pow_t = 1.0_dp
62485  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
62486  r_pow_t = r_pow_t*r
62487  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
62488  r_pow_t = r_pow_t*r
62489  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
62490  r_pow_t = r_pow_t*r
62491  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
62492  r_pow_t = r_pow_t*r
62493  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
62494 
62495  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
62496  exp2_2rdr = exp2_2rdr*exp_2drsq
62497  r = r + dr
62498  END DO
62499 
62500  ! C --> H
62501  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
62502  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
62503  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
62504  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
62505  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
62506  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
62507  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
62508  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
62509  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
62510  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
62511  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
62512  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
62513  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
62514  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
62515  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
62516 
62517  ! H --> HH
62518  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
62519 
62520  c1 = 1.0_dp/(zeta + zetb)
62521  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
62522  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
62523 
62524  e_0_0_1 = zetb*( &
62525  +c3*e_0_0_0&
62526 
62527  )
62528  e_1_0_1 = zetb*( c1*e_0_0_0 &
62529 
62530 
62531  )
62532  e_0_0_2 = zetb*( &
62533  +c3*e_0_0_1&
62534  +2*e_1_0_1 &
62535  -2*e_0_0_0)
62536  e_1_0_2 = zetb*( c1*e_0_0_1 &
62537  +c3*e_1_0_1&
62538 
62539  )
62540  e_2_0_2 = zetb*( c1*e_1_0_1 &
62541 
62542 
62543  )
62544 
62545  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
62546  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
62547  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
62548  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
62549  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
62550  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
62551  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
62552  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
62553  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
62554  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
62555  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
62556  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
62557  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
62558  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
62559  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
62560  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
62561  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
62562  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
62563  r1 = r1 + dr
62564  END DO
62565 
62566  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
62567  END SUBROUTINE
62568  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_2_3_exp_1 ( &
62569  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
62570  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
62571  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
62572  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
62573  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
62574  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
62575  r_pow_t, r_tmp, rr1_delta, rr2_delta
62576 
62577  REAL(kind=dp) :: c1, c2, c3
62578  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
62579  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
62580  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
62581  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
62582  & h_to_c_4_5, h_to_c_5_5
62583  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2
62584 
62585  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
62586 
62587  dr = lgth
62588  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
62589 
62590  s_r(:, :, :) = 0.0_dp
62591 
62592  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
62593 
62594  h_to_c_0_0 = sqrt(alpha/pi)
62595 
62596  h_to_c_0_1 = 0.0_dp
62597  h_to_c_1_1 = +2*alpha*h_to_c_0_0
62598  h_to_c_0_2 = -1*h_to_c_1_1
62599  h_to_c_1_2 = +2*alpha*h_to_c_0_1
62600  h_to_c_2_2 = +2*alpha*h_to_c_1_1
62601  h_to_c_0_3 = -1*h_to_c_1_2
62602  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
62603  h_to_c_2_3 = +2*alpha*h_to_c_1_2
62604  h_to_c_3_3 = +2*alpha*h_to_c_2_2
62605  h_to_c_0_4 = -1*h_to_c_1_3
62606  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
62607  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
62608  h_to_c_3_4 = +2*alpha*h_to_c_2_3
62609  h_to_c_4_4 = +2*alpha*h_to_c_3_3
62610  h_to_c_0_5 = -1*h_to_c_1_4
62611  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
62612  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
62613  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
62614  h_to_c_4_5 = +2*alpha*h_to_c_3_4
62615  h_to_c_5_5 = +2*alpha*h_to_c_4_4
62616 
62617  exp_drsq = exp(-alpha*dr*dr)
62618  exp_2drsq = exp_drsq*exp_drsq
62619 
62620  rr1_delta = (ra - rb)/dr
62621 
62622  rr1_l = ceiling(-r_c(1) + rr1_delta)
62623  rr1_r = floor(r_c(1) + rr1_delta)
62624 
62625  r1 = rr1_l*dr
62626 
62627  alpha_e = zeta*zetb/(zeta + zetb)
62628 
62629  DO rr1 = rr1_l, rr1_r
62630  s_r_t_0 = 0.0_dp
62631  s_r_t2_0 = 0.0_dp
62632  s_r_t_1 = 0.0_dp
62633  s_r_t2_1 = 0.0_dp
62634  s_r_t_2 = 0.0_dp
62635  s_r_t2_2 = 0.0_dp
62636  s_r_t_3 = 0.0_dp
62637  s_r_t2_3 = 0.0_dp
62638  s_r_t_4 = 0.0_dp
62639  s_r_t2_4 = 0.0_dp
62640  s_r_t_5 = 0.0_dp
62641  s_r_t2_5 = 0.0_dp
62642  r_tmp = r_offset + r1*zeta/(zeta + zetb)
62643  rr2_delta = -r_tmp/dr
62644 
62645  rr2_l = ceiling(-r_c(2) + rr2_delta)
62646  rr2_r = floor(r_c(2) + rr2_delta)
62647 
62648  r = r_tmp + (rr2_l)*dr
62649 
62650  exp2_2rdr = exp(-2*alpha*r*dr)
62651  exp2_rsq = exp(-alpha*r*r)
62652 
62653  DO rr2 = rr2_l, rr2_r
62654  r_pow_t = 1.0_dp
62655  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
62656  r_pow_t = r_pow_t*r
62657  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
62658  r_pow_t = r_pow_t*r
62659  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
62660  r_pow_t = r_pow_t*r
62661  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
62662  r_pow_t = r_pow_t*r
62663  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
62664  r_pow_t = r_pow_t*r
62665  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
62666 
62667  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
62668  exp2_2rdr = exp2_2rdr*exp_2drsq
62669  r = r + dr
62670  END DO
62671 
62672  ! C --> H
62673  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
62674  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
62675  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
62676  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
62677  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
62678  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
62679  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
62680  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
62681  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
62682  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
62683  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
62684  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
62685  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
62686  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
62687  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
62688  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
62689  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
62690  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
62691  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
62692  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
62693  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
62694 
62695  ! H --> HH
62696  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
62697 
62698  c1 = 1.0_dp/(zeta + zetb)
62699  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
62700  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
62701 
62702  e_0_0_1 = zetb*( &
62703  +c3*e_0_0_0&
62704 
62705  )
62706  e_1_0_1 = zetb*( c1*e_0_0_0 &
62707 
62708 
62709  )
62710  e_0_0_2 = zetb*( &
62711  +c3*e_0_0_1&
62712  +2*e_1_0_1 &
62713  -2*e_0_0_0)
62714  e_1_0_2 = zetb*( c1*e_0_0_1 &
62715  +c3*e_1_0_1&
62716 
62717  )
62718  e_2_0_2 = zetb*( c1*e_1_0_1 &
62719 
62720 
62721  )
62722 
62723  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
62724  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
62725  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
62726  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
62727  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
62728  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
62729  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
62730  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
62731  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
62732  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
62733  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
62734  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
62735  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
62736  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
62737  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
62738  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
62739  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
62740  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
62741  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
62742  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
62743  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
62744  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
62745  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
62746  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
62747  r1 = r1 + dr
62748  END DO
62749 
62750  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
62751  END SUBROUTINE
62752  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_2_4_exp_1 ( &
62753  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
62754  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
62755  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
62756  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
62757  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
62758  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
62759  r_pow_t, r_tmp, rr1_delta, rr2_delta
62760 
62761  REAL(kind=dp) :: c1, c2, c3
62762  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
62763  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
62764  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
62765  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
62766  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
62767  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2
62768 
62769  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
62770 
62771  dr = lgth
62772  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
62773 
62774  s_r(:, :, :) = 0.0_dp
62775 
62776  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
62777 
62778  h_to_c_0_0 = sqrt(alpha/pi)
62779 
62780  h_to_c_0_1 = 0.0_dp
62781  h_to_c_1_1 = +2*alpha*h_to_c_0_0
62782  h_to_c_0_2 = -1*h_to_c_1_1
62783  h_to_c_1_2 = +2*alpha*h_to_c_0_1
62784  h_to_c_2_2 = +2*alpha*h_to_c_1_1
62785  h_to_c_0_3 = -1*h_to_c_1_2
62786  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
62787  h_to_c_2_3 = +2*alpha*h_to_c_1_2
62788  h_to_c_3_3 = +2*alpha*h_to_c_2_2
62789  h_to_c_0_4 = -1*h_to_c_1_3
62790  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
62791  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
62792  h_to_c_3_4 = +2*alpha*h_to_c_2_3
62793  h_to_c_4_4 = +2*alpha*h_to_c_3_3
62794  h_to_c_0_5 = -1*h_to_c_1_4
62795  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
62796  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
62797  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
62798  h_to_c_4_5 = +2*alpha*h_to_c_3_4
62799  h_to_c_5_5 = +2*alpha*h_to_c_4_4
62800  h_to_c_0_6 = -1*h_to_c_1_5
62801  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
62802  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
62803  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
62804  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
62805  h_to_c_5_6 = +2*alpha*h_to_c_4_5
62806  h_to_c_6_6 = +2*alpha*h_to_c_5_5
62807 
62808  exp_drsq = exp(-alpha*dr*dr)
62809  exp_2drsq = exp_drsq*exp_drsq
62810 
62811  rr1_delta = (ra - rb)/dr
62812 
62813  rr1_l = ceiling(-r_c(1) + rr1_delta)
62814  rr1_r = floor(r_c(1) + rr1_delta)
62815 
62816  r1 = rr1_l*dr
62817 
62818  alpha_e = zeta*zetb/(zeta + zetb)
62819 
62820  DO rr1 = rr1_l, rr1_r
62821  s_r_t_0 = 0.0_dp
62822  s_r_t2_0 = 0.0_dp
62823  s_r_t_1 = 0.0_dp
62824  s_r_t2_1 = 0.0_dp
62825  s_r_t_2 = 0.0_dp
62826  s_r_t2_2 = 0.0_dp
62827  s_r_t_3 = 0.0_dp
62828  s_r_t2_3 = 0.0_dp
62829  s_r_t_4 = 0.0_dp
62830  s_r_t2_4 = 0.0_dp
62831  s_r_t_5 = 0.0_dp
62832  s_r_t2_5 = 0.0_dp
62833  s_r_t_6 = 0.0_dp
62834  s_r_t2_6 = 0.0_dp
62835  r_tmp = r_offset + r1*zeta/(zeta + zetb)
62836  rr2_delta = -r_tmp/dr
62837 
62838  rr2_l = ceiling(-r_c(2) + rr2_delta)
62839  rr2_r = floor(r_c(2) + rr2_delta)
62840 
62841  r = r_tmp + (rr2_l)*dr
62842 
62843  exp2_2rdr = exp(-2*alpha*r*dr)
62844  exp2_rsq = exp(-alpha*r*r)
62845 
62846  DO rr2 = rr2_l, rr2_r
62847  r_pow_t = 1.0_dp
62848  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
62849  r_pow_t = r_pow_t*r
62850  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
62851  r_pow_t = r_pow_t*r
62852  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
62853  r_pow_t = r_pow_t*r
62854  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
62855  r_pow_t = r_pow_t*r
62856  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
62857  r_pow_t = r_pow_t*r
62858  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
62859  r_pow_t = r_pow_t*r
62860  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
62861 
62862  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
62863  exp2_2rdr = exp2_2rdr*exp_2drsq
62864  r = r + dr
62865  END DO
62866 
62867  ! C --> H
62868  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
62869  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
62870  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
62871  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
62872  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
62873  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
62874  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
62875  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
62876  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
62877  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
62878  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
62879  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
62880  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
62881  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
62882  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
62883  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
62884  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
62885  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
62886  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
62887  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
62888  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
62889  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
62890  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
62891  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
62892  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
62893  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
62894  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
62895  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
62896 
62897  ! H --> HH
62898  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
62899 
62900  c1 = 1.0_dp/(zeta + zetb)
62901  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
62902  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
62903 
62904  e_0_0_1 = zetb*( &
62905  +c3*e_0_0_0&
62906 
62907  )
62908  e_1_0_1 = zetb*( c1*e_0_0_0 &
62909 
62910 
62911  )
62912  e_0_0_2 = zetb*( &
62913  +c3*e_0_0_1&
62914  +2*e_1_0_1 &
62915  -2*e_0_0_0)
62916  e_1_0_2 = zetb*( c1*e_0_0_1 &
62917  +c3*e_1_0_1&
62918 
62919  )
62920  e_2_0_2 = zetb*( c1*e_1_0_1 &
62921 
62922 
62923  )
62924 
62925  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
62926  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
62927  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
62928  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
62929  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
62930  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
62931  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
62932  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
62933  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
62934  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
62935  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
62936  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
62937  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
62938  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
62939  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
62940  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
62941  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
62942  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
62943  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
62944  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
62945  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
62946  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
62947  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
62948  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
62949  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
62950  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
62951  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
62952  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
62953  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
62954  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
62955  r1 = r1 + dr
62956  END DO
62957 
62958  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
62959  END SUBROUTINE
62960  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_3_0_exp_1 ( &
62961  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
62962  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
62963  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
62964  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
62965  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
62966  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
62967  r_pow_t, r_tmp, rr1_delta, rr2_delta
62968 
62969  REAL(kind=dp) :: c1, c2, c3
62970  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
62971  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
62972  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
62973  & h_to_c_3_3
62974  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3
62975 
62976  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
62977 
62978  dr = lgth
62979  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
62980 
62981  s_r(:, :, :) = 0.0_dp
62982 
62983  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
62984 
62985  h_to_c_0_0 = sqrt(alpha/pi)
62986 
62987  h_to_c_0_1 = 0.0_dp
62988  h_to_c_1_1 = +2*alpha*h_to_c_0_0
62989  h_to_c_0_2 = -1*h_to_c_1_1
62990  h_to_c_1_2 = +2*alpha*h_to_c_0_1
62991  h_to_c_2_2 = +2*alpha*h_to_c_1_1
62992  h_to_c_0_3 = -1*h_to_c_1_2
62993  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
62994  h_to_c_2_3 = +2*alpha*h_to_c_1_2
62995  h_to_c_3_3 = +2*alpha*h_to_c_2_2
62996 
62997  exp_drsq = exp(-alpha*dr*dr)
62998  exp_2drsq = exp_drsq*exp_drsq
62999 
63000  rr1_delta = (ra - rb)/dr
63001 
63002  rr1_l = ceiling(-r_c(1) + rr1_delta)
63003  rr1_r = floor(r_c(1) + rr1_delta)
63004 
63005  r1 = rr1_l*dr
63006 
63007  alpha_e = zeta*zetb/(zeta + zetb)
63008 
63009  DO rr1 = rr1_l, rr1_r
63010  s_r_t_0 = 0.0_dp
63011  s_r_t2_0 = 0.0_dp
63012  s_r_t_1 = 0.0_dp
63013  s_r_t2_1 = 0.0_dp
63014  s_r_t_2 = 0.0_dp
63015  s_r_t2_2 = 0.0_dp
63016  s_r_t_3 = 0.0_dp
63017  s_r_t2_3 = 0.0_dp
63018  r_tmp = r_offset + r1*zeta/(zeta + zetb)
63019  rr2_delta = -r_tmp/dr
63020 
63021  rr2_l = ceiling(-r_c(2) + rr2_delta)
63022  rr2_r = floor(r_c(2) + rr2_delta)
63023 
63024  r = r_tmp + (rr2_l)*dr
63025 
63026  exp2_2rdr = exp(-2*alpha*r*dr)
63027  exp2_rsq = exp(-alpha*r*r)
63028 
63029  DO rr2 = rr2_l, rr2_r
63030  r_pow_t = 1.0_dp
63031  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
63032  r_pow_t = r_pow_t*r
63033  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
63034  r_pow_t = r_pow_t*r
63035  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
63036  r_pow_t = r_pow_t*r
63037  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
63038 
63039  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
63040  exp2_2rdr = exp2_2rdr*exp_2drsq
63041  r = r + dr
63042  END DO
63043 
63044  ! C --> H
63045  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
63046  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
63047  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
63048  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
63049  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
63050  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
63051  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
63052  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
63053  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
63054  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
63055 
63056  ! H --> HH
63057  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
63058 
63059  c1 = 1.0_dp/(zeta + zetb)
63060  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
63061  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
63062 
63063  e_0_0_1 = zetb*( &
63064  +c3*e_0_0_0&
63065 
63066  )
63067  e_1_0_1 = zetb*( c1*e_0_0_0 &
63068 
63069 
63070  )
63071  e_0_0_2 = zetb*( &
63072  +c3*e_0_0_1&
63073  +2*e_1_0_1 &
63074  -2*e_0_0_0)
63075  e_1_0_2 = zetb*( c1*e_0_0_1 &
63076  +c3*e_1_0_1&
63077 
63078  )
63079  e_2_0_2 = zetb*( c1*e_1_0_1 &
63080 
63081 
63082  )
63083  e_0_0_3 = zetb*( &
63084  +c3*e_0_0_2&
63085  +2*e_1_0_2 &
63086  -4*e_0_0_1)
63087  e_1_0_3 = zetb*( c1*e_0_0_2 &
63088  +c3*e_1_0_2&
63089  +4*e_2_0_2 &
63090  -4*e_1_0_1)
63091  e_2_0_3 = zetb*( c1*e_1_0_2 &
63092  +c3*e_2_0_2&
63093 
63094  )
63095  e_3_0_3 = zetb*( c1*e_2_0_2 &
63096 
63097 
63098  )
63099 
63100  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
63101  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
63102  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
63103  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
63104  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
63105  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
63106  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
63107  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
63108  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
63109  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
63110  r1 = r1 + dr
63111  END DO
63112 
63113  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
63114  END SUBROUTINE
63115  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_3_1_exp_1 ( &
63116  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
63117  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
63118  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
63119  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
63120  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
63121  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
63122  r_pow_t, r_tmp, rr1_delta, rr2_delta
63123 
63124  REAL(kind=dp) :: c1, c2, c3
63125  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
63126  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
63127  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
63128  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
63129  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3
63130 
63131  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
63132 
63133  dr = lgth
63134  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
63135 
63136  s_r(:, :, :) = 0.0_dp
63137 
63138  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
63139 
63140  h_to_c_0_0 = sqrt(alpha/pi)
63141 
63142  h_to_c_0_1 = 0.0_dp
63143  h_to_c_1_1 = +2*alpha*h_to_c_0_0
63144  h_to_c_0_2 = -1*h_to_c_1_1
63145  h_to_c_1_2 = +2*alpha*h_to_c_0_1
63146  h_to_c_2_2 = +2*alpha*h_to_c_1_1
63147  h_to_c_0_3 = -1*h_to_c_1_2
63148  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
63149  h_to_c_2_3 = +2*alpha*h_to_c_1_2
63150  h_to_c_3_3 = +2*alpha*h_to_c_2_2
63151  h_to_c_0_4 = -1*h_to_c_1_3
63152  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
63153  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
63154  h_to_c_3_4 = +2*alpha*h_to_c_2_3
63155  h_to_c_4_4 = +2*alpha*h_to_c_3_3
63156 
63157  exp_drsq = exp(-alpha*dr*dr)
63158  exp_2drsq = exp_drsq*exp_drsq
63159 
63160  rr1_delta = (ra - rb)/dr
63161 
63162  rr1_l = ceiling(-r_c(1) + rr1_delta)
63163  rr1_r = floor(r_c(1) + rr1_delta)
63164 
63165  r1 = rr1_l*dr
63166 
63167  alpha_e = zeta*zetb/(zeta + zetb)
63168 
63169  DO rr1 = rr1_l, rr1_r
63170  s_r_t_0 = 0.0_dp
63171  s_r_t2_0 = 0.0_dp
63172  s_r_t_1 = 0.0_dp
63173  s_r_t2_1 = 0.0_dp
63174  s_r_t_2 = 0.0_dp
63175  s_r_t2_2 = 0.0_dp
63176  s_r_t_3 = 0.0_dp
63177  s_r_t2_3 = 0.0_dp
63178  s_r_t_4 = 0.0_dp
63179  s_r_t2_4 = 0.0_dp
63180  r_tmp = r_offset + r1*zeta/(zeta + zetb)
63181  rr2_delta = -r_tmp/dr
63182 
63183  rr2_l = ceiling(-r_c(2) + rr2_delta)
63184  rr2_r = floor(r_c(2) + rr2_delta)
63185 
63186  r = r_tmp + (rr2_l)*dr
63187 
63188  exp2_2rdr = exp(-2*alpha*r*dr)
63189  exp2_rsq = exp(-alpha*r*r)
63190 
63191  DO rr2 = rr2_l, rr2_r
63192  r_pow_t = 1.0_dp
63193  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
63194  r_pow_t = r_pow_t*r
63195  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
63196  r_pow_t = r_pow_t*r
63197  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
63198  r_pow_t = r_pow_t*r
63199  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
63200  r_pow_t = r_pow_t*r
63201  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
63202 
63203  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
63204  exp2_2rdr = exp2_2rdr*exp_2drsq
63205  r = r + dr
63206  END DO
63207 
63208  ! C --> H
63209  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
63210  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
63211  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
63212  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
63213  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
63214  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
63215  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
63216  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
63217  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
63218  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
63219  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
63220  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
63221  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
63222  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
63223  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
63224 
63225  ! H --> HH
63226  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
63227 
63228  c1 = 1.0_dp/(zeta + zetb)
63229  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
63230  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
63231 
63232  e_0_0_1 = zetb*( &
63233  +c3*e_0_0_0&
63234 
63235  )
63236  e_1_0_1 = zetb*( c1*e_0_0_0 &
63237 
63238 
63239  )
63240  e_0_0_2 = zetb*( &
63241  +c3*e_0_0_1&
63242  +2*e_1_0_1 &
63243  -2*e_0_0_0)
63244  e_1_0_2 = zetb*( c1*e_0_0_1 &
63245  +c3*e_1_0_1&
63246 
63247  )
63248  e_2_0_2 = zetb*( c1*e_1_0_1 &
63249 
63250 
63251  )
63252  e_0_0_3 = zetb*( &
63253  +c3*e_0_0_2&
63254  +2*e_1_0_2 &
63255  -4*e_0_0_1)
63256  e_1_0_3 = zetb*( c1*e_0_0_2 &
63257  +c3*e_1_0_2&
63258  +4*e_2_0_2 &
63259  -4*e_1_0_1)
63260  e_2_0_3 = zetb*( c1*e_1_0_2 &
63261  +c3*e_2_0_2&
63262 
63263  )
63264  e_3_0_3 = zetb*( c1*e_2_0_2 &
63265 
63266 
63267  )
63268 
63269  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
63270  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
63271  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
63272  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
63273  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
63274  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
63275  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
63276  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
63277  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
63278  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
63279  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
63280  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
63281  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
63282  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
63283  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
63284  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
63285  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
63286  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
63287  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
63288  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
63289  r1 = r1 + dr
63290  END DO
63291 
63292  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
63293  END SUBROUTINE
63294  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_3_2_exp_1 ( &
63295  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
63296  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
63297  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
63298  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
63299  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
63300  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
63301  r_pow_t, r_tmp, rr1_delta, rr2_delta
63302 
63303  REAL(kind=dp) :: c1, c2, c3
63304  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
63305  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
63306  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
63307  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
63308  & h_to_c_4_5, h_to_c_5_5
63309  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3
63310 
63311  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
63312 
63313  dr = lgth
63314  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
63315 
63316  s_r(:, :, :) = 0.0_dp
63317 
63318  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
63319 
63320  h_to_c_0_0 = sqrt(alpha/pi)
63321 
63322  h_to_c_0_1 = 0.0_dp
63323  h_to_c_1_1 = +2*alpha*h_to_c_0_0
63324  h_to_c_0_2 = -1*h_to_c_1_1
63325  h_to_c_1_2 = +2*alpha*h_to_c_0_1
63326  h_to_c_2_2 = +2*alpha*h_to_c_1_1
63327  h_to_c_0_3 = -1*h_to_c_1_2
63328  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
63329  h_to_c_2_3 = +2*alpha*h_to_c_1_2
63330  h_to_c_3_3 = +2*alpha*h_to_c_2_2
63331  h_to_c_0_4 = -1*h_to_c_1_3
63332  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
63333  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
63334  h_to_c_3_4 = +2*alpha*h_to_c_2_3
63335  h_to_c_4_4 = +2*alpha*h_to_c_3_3
63336  h_to_c_0_5 = -1*h_to_c_1_4
63337  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
63338  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
63339  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
63340  h_to_c_4_5 = +2*alpha*h_to_c_3_4
63341  h_to_c_5_5 = +2*alpha*h_to_c_4_4
63342 
63343  exp_drsq = exp(-alpha*dr*dr)
63344  exp_2drsq = exp_drsq*exp_drsq
63345 
63346  rr1_delta = (ra - rb)/dr
63347 
63348  rr1_l = ceiling(-r_c(1) + rr1_delta)
63349  rr1_r = floor(r_c(1) + rr1_delta)
63350 
63351  r1 = rr1_l*dr
63352 
63353  alpha_e = zeta*zetb/(zeta + zetb)
63354 
63355  DO rr1 = rr1_l, rr1_r
63356  s_r_t_0 = 0.0_dp
63357  s_r_t2_0 = 0.0_dp
63358  s_r_t_1 = 0.0_dp
63359  s_r_t2_1 = 0.0_dp
63360  s_r_t_2 = 0.0_dp
63361  s_r_t2_2 = 0.0_dp
63362  s_r_t_3 = 0.0_dp
63363  s_r_t2_3 = 0.0_dp
63364  s_r_t_4 = 0.0_dp
63365  s_r_t2_4 = 0.0_dp
63366  s_r_t_5 = 0.0_dp
63367  s_r_t2_5 = 0.0_dp
63368  r_tmp = r_offset + r1*zeta/(zeta + zetb)
63369  rr2_delta = -r_tmp/dr
63370 
63371  rr2_l = ceiling(-r_c(2) + rr2_delta)
63372  rr2_r = floor(r_c(2) + rr2_delta)
63373 
63374  r = r_tmp + (rr2_l)*dr
63375 
63376  exp2_2rdr = exp(-2*alpha*r*dr)
63377  exp2_rsq = exp(-alpha*r*r)
63378 
63379  DO rr2 = rr2_l, rr2_r
63380  r_pow_t = 1.0_dp
63381  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
63382  r_pow_t = r_pow_t*r
63383  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
63384  r_pow_t = r_pow_t*r
63385  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
63386  r_pow_t = r_pow_t*r
63387  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
63388  r_pow_t = r_pow_t*r
63389  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
63390  r_pow_t = r_pow_t*r
63391  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
63392 
63393  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
63394  exp2_2rdr = exp2_2rdr*exp_2drsq
63395  r = r + dr
63396  END DO
63397 
63398  ! C --> H
63399  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
63400  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
63401  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
63402  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
63403  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
63404  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
63405  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
63406  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
63407  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
63408  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
63409  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
63410  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
63411  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
63412  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
63413  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
63414  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
63415  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
63416  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
63417  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
63418  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
63419  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
63420 
63421  ! H --> HH
63422  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
63423 
63424  c1 = 1.0_dp/(zeta + zetb)
63425  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
63426  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
63427 
63428  e_0_0_1 = zetb*( &
63429  +c3*e_0_0_0&
63430 
63431  )
63432  e_1_0_1 = zetb*( c1*e_0_0_0 &
63433 
63434 
63435  )
63436  e_0_0_2 = zetb*( &
63437  +c3*e_0_0_1&
63438  +2*e_1_0_1 &
63439  -2*e_0_0_0)
63440  e_1_0_2 = zetb*( c1*e_0_0_1 &
63441  +c3*e_1_0_1&
63442 
63443  )
63444  e_2_0_2 = zetb*( c1*e_1_0_1 &
63445 
63446 
63447  )
63448  e_0_0_3 = zetb*( &
63449  +c3*e_0_0_2&
63450  +2*e_1_0_2 &
63451  -4*e_0_0_1)
63452  e_1_0_3 = zetb*( c1*e_0_0_2 &
63453  +c3*e_1_0_2&
63454  +4*e_2_0_2 &
63455  -4*e_1_0_1)
63456  e_2_0_3 = zetb*( c1*e_1_0_2 &
63457  +c3*e_2_0_2&
63458 
63459  )
63460  e_3_0_3 = zetb*( c1*e_2_0_2 &
63461 
63462 
63463  )
63464 
63465  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
63466  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
63467  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
63468  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
63469  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
63470  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
63471  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
63472  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
63473  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
63474  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
63475  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
63476  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
63477  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
63478  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
63479  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
63480  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
63481  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
63482  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
63483  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
63484  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
63485  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
63486  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
63487  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
63488  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
63489  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
63490  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
63491  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
63492  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
63493  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
63494  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
63495  r1 = r1 + dr
63496  END DO
63497 
63498  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
63499  END SUBROUTINE
63500  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_3_3_exp_1 ( &
63501  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
63502  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
63503  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
63504  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
63505  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
63506  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
63507  r_pow_t, r_tmp, rr1_delta, rr2_delta
63508 
63509  REAL(kind=dp) :: c1, c2, c3
63510  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
63511  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
63512  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
63513  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
63514  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
63515  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3
63516 
63517  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
63518 
63519  dr = lgth
63520  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
63521 
63522  s_r(:, :, :) = 0.0_dp
63523 
63524  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
63525 
63526  h_to_c_0_0 = sqrt(alpha/pi)
63527 
63528  h_to_c_0_1 = 0.0_dp
63529  h_to_c_1_1 = +2*alpha*h_to_c_0_0
63530  h_to_c_0_2 = -1*h_to_c_1_1
63531  h_to_c_1_2 = +2*alpha*h_to_c_0_1
63532  h_to_c_2_2 = +2*alpha*h_to_c_1_1
63533  h_to_c_0_3 = -1*h_to_c_1_2
63534  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
63535  h_to_c_2_3 = +2*alpha*h_to_c_1_2
63536  h_to_c_3_3 = +2*alpha*h_to_c_2_2
63537  h_to_c_0_4 = -1*h_to_c_1_3
63538  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
63539  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
63540  h_to_c_3_4 = +2*alpha*h_to_c_2_3
63541  h_to_c_4_4 = +2*alpha*h_to_c_3_3
63542  h_to_c_0_5 = -1*h_to_c_1_4
63543  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
63544  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
63545  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
63546  h_to_c_4_5 = +2*alpha*h_to_c_3_4
63547  h_to_c_5_5 = +2*alpha*h_to_c_4_4
63548  h_to_c_0_6 = -1*h_to_c_1_5
63549  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
63550  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
63551  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
63552  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
63553  h_to_c_5_6 = +2*alpha*h_to_c_4_5
63554  h_to_c_6_6 = +2*alpha*h_to_c_5_5
63555 
63556  exp_drsq = exp(-alpha*dr*dr)
63557  exp_2drsq = exp_drsq*exp_drsq
63558 
63559  rr1_delta = (ra - rb)/dr
63560 
63561  rr1_l = ceiling(-r_c(1) + rr1_delta)
63562  rr1_r = floor(r_c(1) + rr1_delta)
63563 
63564  r1 = rr1_l*dr
63565 
63566  alpha_e = zeta*zetb/(zeta + zetb)
63567 
63568  DO rr1 = rr1_l, rr1_r
63569  s_r_t_0 = 0.0_dp
63570  s_r_t2_0 = 0.0_dp
63571  s_r_t_1 = 0.0_dp
63572  s_r_t2_1 = 0.0_dp
63573  s_r_t_2 = 0.0_dp
63574  s_r_t2_2 = 0.0_dp
63575  s_r_t_3 = 0.0_dp
63576  s_r_t2_3 = 0.0_dp
63577  s_r_t_4 = 0.0_dp
63578  s_r_t2_4 = 0.0_dp
63579  s_r_t_5 = 0.0_dp
63580  s_r_t2_5 = 0.0_dp
63581  s_r_t_6 = 0.0_dp
63582  s_r_t2_6 = 0.0_dp
63583  r_tmp = r_offset + r1*zeta/(zeta + zetb)
63584  rr2_delta = -r_tmp/dr
63585 
63586  rr2_l = ceiling(-r_c(2) + rr2_delta)
63587  rr2_r = floor(r_c(2) + rr2_delta)
63588 
63589  r = r_tmp + (rr2_l)*dr
63590 
63591  exp2_2rdr = exp(-2*alpha*r*dr)
63592  exp2_rsq = exp(-alpha*r*r)
63593 
63594  DO rr2 = rr2_l, rr2_r
63595  r_pow_t = 1.0_dp
63596  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
63597  r_pow_t = r_pow_t*r
63598  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
63599  r_pow_t = r_pow_t*r
63600  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
63601  r_pow_t = r_pow_t*r
63602  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
63603  r_pow_t = r_pow_t*r
63604  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
63605  r_pow_t = r_pow_t*r
63606  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
63607  r_pow_t = r_pow_t*r
63608  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
63609 
63610  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
63611  exp2_2rdr = exp2_2rdr*exp_2drsq
63612  r = r + dr
63613  END DO
63614 
63615  ! C --> H
63616  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
63617  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
63618  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
63619  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
63620  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
63621  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
63622  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
63623  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
63624  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
63625  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
63626  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
63627  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
63628  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
63629  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
63630  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
63631  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
63632  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
63633  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
63634  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
63635  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
63636  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
63637  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
63638  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
63639  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
63640  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
63641  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
63642  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
63643  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
63644 
63645  ! H --> HH
63646  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
63647 
63648  c1 = 1.0_dp/(zeta + zetb)
63649  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
63650  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
63651 
63652  e_0_0_1 = zetb*( &
63653  +c3*e_0_0_0&
63654 
63655  )
63656  e_1_0_1 = zetb*( c1*e_0_0_0 &
63657 
63658 
63659  )
63660  e_0_0_2 = zetb*( &
63661  +c3*e_0_0_1&
63662  +2*e_1_0_1 &
63663  -2*e_0_0_0)
63664  e_1_0_2 = zetb*( c1*e_0_0_1 &
63665  +c3*e_1_0_1&
63666 
63667  )
63668  e_2_0_2 = zetb*( c1*e_1_0_1 &
63669 
63670 
63671  )
63672  e_0_0_3 = zetb*( &
63673  +c3*e_0_0_2&
63674  +2*e_1_0_2 &
63675  -4*e_0_0_1)
63676  e_1_0_3 = zetb*( c1*e_0_0_2 &
63677  +c3*e_1_0_2&
63678  +4*e_2_0_2 &
63679  -4*e_1_0_1)
63680  e_2_0_3 = zetb*( c1*e_1_0_2 &
63681  +c3*e_2_0_2&
63682 
63683  )
63684  e_3_0_3 = zetb*( c1*e_2_0_2 &
63685 
63686 
63687  )
63688 
63689  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
63690  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
63691  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
63692  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
63693  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
63694  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
63695  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
63696  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
63697  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
63698  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
63699  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
63700  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
63701  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
63702  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
63703  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
63704  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
63705  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
63706  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
63707  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
63708  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
63709  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
63710  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
63711  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
63712  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
63713  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
63714  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
63715  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
63716  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
63717  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
63718  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
63719  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
63720  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
63721  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
63722  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
63723  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
63724  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
63725  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
63726  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
63727  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
63728  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
63729  r1 = r1 + dr
63730  END DO
63731 
63732  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
63733  END SUBROUTINE
63734  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_3_4_exp_1 ( &
63735  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
63736  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
63737  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
63738  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
63739  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
63740  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
63741  r_pow_t, r_tmp, rr1_delta, rr2_delta
63742 
63743  REAL(kind=dp) :: c1, c2, c3
63744  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
63745  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
63746  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
63747  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
63748  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
63749  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
63750  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3
63751 
63752  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
63753 
63754  dr = lgth
63755  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
63756 
63757  s_r(:, :, :) = 0.0_dp
63758 
63759  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
63760 
63761  h_to_c_0_0 = sqrt(alpha/pi)
63762 
63763  h_to_c_0_1 = 0.0_dp
63764  h_to_c_1_1 = +2*alpha*h_to_c_0_0
63765  h_to_c_0_2 = -1*h_to_c_1_1
63766  h_to_c_1_2 = +2*alpha*h_to_c_0_1
63767  h_to_c_2_2 = +2*alpha*h_to_c_1_1
63768  h_to_c_0_3 = -1*h_to_c_1_2
63769  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
63770  h_to_c_2_3 = +2*alpha*h_to_c_1_2
63771  h_to_c_3_3 = +2*alpha*h_to_c_2_2
63772  h_to_c_0_4 = -1*h_to_c_1_3
63773  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
63774  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
63775  h_to_c_3_4 = +2*alpha*h_to_c_2_3
63776  h_to_c_4_4 = +2*alpha*h_to_c_3_3
63777  h_to_c_0_5 = -1*h_to_c_1_4
63778  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
63779  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
63780  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
63781  h_to_c_4_5 = +2*alpha*h_to_c_3_4
63782  h_to_c_5_5 = +2*alpha*h_to_c_4_4
63783  h_to_c_0_6 = -1*h_to_c_1_5
63784  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
63785  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
63786  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
63787  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
63788  h_to_c_5_6 = +2*alpha*h_to_c_4_5
63789  h_to_c_6_6 = +2*alpha*h_to_c_5_5
63790  h_to_c_0_7 = -1*h_to_c_1_6
63791  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
63792  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
63793  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
63794  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
63795  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
63796  h_to_c_6_7 = +2*alpha*h_to_c_5_6
63797  h_to_c_7_7 = +2*alpha*h_to_c_6_6
63798 
63799  exp_drsq = exp(-alpha*dr*dr)
63800  exp_2drsq = exp_drsq*exp_drsq
63801 
63802  rr1_delta = (ra - rb)/dr
63803 
63804  rr1_l = ceiling(-r_c(1) + rr1_delta)
63805  rr1_r = floor(r_c(1) + rr1_delta)
63806 
63807  r1 = rr1_l*dr
63808 
63809  alpha_e = zeta*zetb/(zeta + zetb)
63810 
63811  DO rr1 = rr1_l, rr1_r
63812  s_r_t_0 = 0.0_dp
63813  s_r_t2_0 = 0.0_dp
63814  s_r_t_1 = 0.0_dp
63815  s_r_t2_1 = 0.0_dp
63816  s_r_t_2 = 0.0_dp
63817  s_r_t2_2 = 0.0_dp
63818  s_r_t_3 = 0.0_dp
63819  s_r_t2_3 = 0.0_dp
63820  s_r_t_4 = 0.0_dp
63821  s_r_t2_4 = 0.0_dp
63822  s_r_t_5 = 0.0_dp
63823  s_r_t2_5 = 0.0_dp
63824  s_r_t_6 = 0.0_dp
63825  s_r_t2_6 = 0.0_dp
63826  s_r_t_7 = 0.0_dp
63827  s_r_t2_7 = 0.0_dp
63828  r_tmp = r_offset + r1*zeta/(zeta + zetb)
63829  rr2_delta = -r_tmp/dr
63830 
63831  rr2_l = ceiling(-r_c(2) + rr2_delta)
63832  rr2_r = floor(r_c(2) + rr2_delta)
63833 
63834  r = r_tmp + (rr2_l)*dr
63835 
63836  exp2_2rdr = exp(-2*alpha*r*dr)
63837  exp2_rsq = exp(-alpha*r*r)
63838 
63839  DO rr2 = rr2_l, rr2_r
63840  r_pow_t = 1.0_dp
63841  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
63842  r_pow_t = r_pow_t*r
63843  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
63844  r_pow_t = r_pow_t*r
63845  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
63846  r_pow_t = r_pow_t*r
63847  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
63848  r_pow_t = r_pow_t*r
63849  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
63850  r_pow_t = r_pow_t*r
63851  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
63852  r_pow_t = r_pow_t*r
63853  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
63854  r_pow_t = r_pow_t*r
63855  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
63856 
63857  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
63858  exp2_2rdr = exp2_2rdr*exp_2drsq
63859  r = r + dr
63860  END DO
63861 
63862  ! C --> H
63863  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
63864  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
63865  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
63866  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
63867  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
63868  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
63869  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
63870  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
63871  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
63872  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
63873  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
63874  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
63875  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
63876  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
63877  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
63878  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
63879  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
63880  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
63881  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
63882  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
63883  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
63884  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
63885  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
63886  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
63887  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
63888  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
63889  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
63890  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
63891  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
63892  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
63893  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
63894  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
63895  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
63896  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
63897  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
63898  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
63899 
63900  ! H --> HH
63901  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
63902 
63903  c1 = 1.0_dp/(zeta + zetb)
63904  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
63905  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
63906 
63907  e_0_0_1 = zetb*( &
63908  +c3*e_0_0_0&
63909 
63910  )
63911  e_1_0_1 = zetb*( c1*e_0_0_0 &
63912 
63913 
63914  )
63915  e_0_0_2 = zetb*( &
63916  +c3*e_0_0_1&
63917  +2*e_1_0_1 &
63918  -2*e_0_0_0)
63919  e_1_0_2 = zetb*( c1*e_0_0_1 &
63920  +c3*e_1_0_1&
63921 
63922  )
63923  e_2_0_2 = zetb*( c1*e_1_0_1 &
63924 
63925 
63926  )
63927  e_0_0_3 = zetb*( &
63928  +c3*e_0_0_2&
63929  +2*e_1_0_2 &
63930  -4*e_0_0_1)
63931  e_1_0_3 = zetb*( c1*e_0_0_2 &
63932  +c3*e_1_0_2&
63933  +4*e_2_0_2 &
63934  -4*e_1_0_1)
63935  e_2_0_3 = zetb*( c1*e_1_0_2 &
63936  +c3*e_2_0_2&
63937 
63938  )
63939  e_3_0_3 = zetb*( c1*e_2_0_2 &
63940 
63941 
63942  )
63943 
63944  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
63945  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
63946  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
63947  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
63948  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
63949  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
63950  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
63951  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
63952  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
63953  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
63954  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
63955  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
63956  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
63957  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
63958  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
63959  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
63960  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
63961  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
63962  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
63963  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
63964  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
63965  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
63966  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
63967  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
63968  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
63969  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
63970  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
63971  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
63972  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
63973  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
63974  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
63975  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
63976  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
63977  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
63978  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
63979  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
63980  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
63981  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
63982  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
63983  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
63984  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
63985  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
63986  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
63987  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
63988  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
63989  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
63990  s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
63991  s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
63992  s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
63993  s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
63994  r1 = r1 + dr
63995  END DO
63996 
63997  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
63998  END SUBROUTINE
63999  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_4_0_exp_1 ( &
64000  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
64001  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
64002  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
64003  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
64004  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
64005  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
64006  r_pow_t, r_tmp, rr1_delta, rr2_delta
64007 
64008  REAL(kind=dp) :: c1, c2, c3
64009  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
64010  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
64011  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
64012  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
64013  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_0_4, e_1_0_4,&
64014  & e_2_0_4, e_3_0_4, e_4_0_4
64015 
64016  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
64017 
64018  dr = lgth
64019  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
64020 
64021  s_r(:, :, :) = 0.0_dp
64022 
64023  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
64024 
64025  h_to_c_0_0 = sqrt(alpha/pi)
64026 
64027  h_to_c_0_1 = 0.0_dp
64028  h_to_c_1_1 = +2*alpha*h_to_c_0_0
64029  h_to_c_0_2 = -1*h_to_c_1_1
64030  h_to_c_1_2 = +2*alpha*h_to_c_0_1
64031  h_to_c_2_2 = +2*alpha*h_to_c_1_1
64032  h_to_c_0_3 = -1*h_to_c_1_2
64033  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
64034  h_to_c_2_3 = +2*alpha*h_to_c_1_2
64035  h_to_c_3_3 = +2*alpha*h_to_c_2_2
64036  h_to_c_0_4 = -1*h_to_c_1_3
64037  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
64038  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
64039  h_to_c_3_4 = +2*alpha*h_to_c_2_3
64040  h_to_c_4_4 = +2*alpha*h_to_c_3_3
64041 
64042  exp_drsq = exp(-alpha*dr*dr)
64043  exp_2drsq = exp_drsq*exp_drsq
64044 
64045  rr1_delta = (ra - rb)/dr
64046 
64047  rr1_l = ceiling(-r_c(1) + rr1_delta)
64048  rr1_r = floor(r_c(1) + rr1_delta)
64049 
64050  r1 = rr1_l*dr
64051 
64052  alpha_e = zeta*zetb/(zeta + zetb)
64053 
64054  DO rr1 = rr1_l, rr1_r
64055  s_r_t_0 = 0.0_dp
64056  s_r_t2_0 = 0.0_dp
64057  s_r_t_1 = 0.0_dp
64058  s_r_t2_1 = 0.0_dp
64059  s_r_t_2 = 0.0_dp
64060  s_r_t2_2 = 0.0_dp
64061  s_r_t_3 = 0.0_dp
64062  s_r_t2_3 = 0.0_dp
64063  s_r_t_4 = 0.0_dp
64064  s_r_t2_4 = 0.0_dp
64065  r_tmp = r_offset + r1*zeta/(zeta + zetb)
64066  rr2_delta = -r_tmp/dr
64067 
64068  rr2_l = ceiling(-r_c(2) + rr2_delta)
64069  rr2_r = floor(r_c(2) + rr2_delta)
64070 
64071  r = r_tmp + (rr2_l)*dr
64072 
64073  exp2_2rdr = exp(-2*alpha*r*dr)
64074  exp2_rsq = exp(-alpha*r*r)
64075 
64076  DO rr2 = rr2_l, rr2_r
64077  r_pow_t = 1.0_dp
64078  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
64079  r_pow_t = r_pow_t*r
64080  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
64081  r_pow_t = r_pow_t*r
64082  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
64083  r_pow_t = r_pow_t*r
64084  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
64085  r_pow_t = r_pow_t*r
64086  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
64087 
64088  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
64089  exp2_2rdr = exp2_2rdr*exp_2drsq
64090  r = r + dr
64091  END DO
64092 
64093  ! C --> H
64094  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
64095  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
64096  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
64097  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
64098  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
64099  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
64100  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
64101  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
64102  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
64103  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
64104  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
64105  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
64106  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
64107  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
64108  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
64109 
64110  ! H --> HH
64111  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
64112 
64113  c1 = 1.0_dp/(zeta + zetb)
64114  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
64115  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
64116 
64117  e_0_0_1 = zetb*( &
64118  +c3*e_0_0_0&
64119 
64120  )
64121  e_1_0_1 = zetb*( c1*e_0_0_0 &
64122 
64123 
64124  )
64125  e_0_0_2 = zetb*( &
64126  +c3*e_0_0_1&
64127  +2*e_1_0_1 &
64128  -2*e_0_0_0)
64129  e_1_0_2 = zetb*( c1*e_0_0_1 &
64130  +c3*e_1_0_1&
64131 
64132  )
64133  e_2_0_2 = zetb*( c1*e_1_0_1 &
64134 
64135 
64136  )
64137  e_0_0_3 = zetb*( &
64138  +c3*e_0_0_2&
64139  +2*e_1_0_2 &
64140  -4*e_0_0_1)
64141  e_1_0_3 = zetb*( c1*e_0_0_2 &
64142  +c3*e_1_0_2&
64143  +4*e_2_0_2 &
64144  -4*e_1_0_1)
64145  e_2_0_3 = zetb*( c1*e_1_0_2 &
64146  +c3*e_2_0_2&
64147 
64148  )
64149  e_3_0_3 = zetb*( c1*e_2_0_2 &
64150 
64151 
64152  )
64153  e_0_0_4 = zetb*( &
64154  +c3*e_0_0_3&
64155  +2*e_1_0_3 &
64156  -6*e_0_0_2)
64157  e_1_0_4 = zetb*( c1*e_0_0_3 &
64158  +c3*e_1_0_3&
64159  +4*e_2_0_3 &
64160  -6*e_1_0_2)
64161  e_2_0_4 = zetb*( c1*e_1_0_3 &
64162  +c3*e_2_0_3&
64163  +6*e_3_0_3 &
64164  -6*e_2_0_2)
64165  e_3_0_4 = zetb*( c1*e_2_0_3 &
64166  +c3*e_3_0_3&
64167 
64168  )
64169  e_4_0_4 = zetb*( c1*e_3_0_3 &
64170 
64171 
64172  )
64173 
64174  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
64175  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
64176  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
64177  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
64178  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
64179  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
64180  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
64181  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
64182  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
64183  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
64184  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
64185  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
64186  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
64187  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
64188  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
64189  r1 = r1 + dr
64190  END DO
64191 
64192  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
64193  END SUBROUTINE
64194  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_4_1_exp_1 ( &
64195  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
64196  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
64197  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
64198  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
64199  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
64200  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
64201  r_pow_t, r_tmp, rr1_delta, rr2_delta
64202 
64203  REAL(kind=dp) :: c1, c2, c3
64204  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
64205  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
64206  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
64207  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
64208  & h_to_c_4_5, h_to_c_5_5
64209  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_0_4, e_1_0_4,&
64210  & e_2_0_4, e_3_0_4, e_4_0_4
64211 
64212  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
64213 
64214  dr = lgth
64215  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
64216 
64217  s_r(:, :, :) = 0.0_dp
64218 
64219  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
64220 
64221  h_to_c_0_0 = sqrt(alpha/pi)
64222 
64223  h_to_c_0_1 = 0.0_dp
64224  h_to_c_1_1 = +2*alpha*h_to_c_0_0
64225  h_to_c_0_2 = -1*h_to_c_1_1
64226  h_to_c_1_2 = +2*alpha*h_to_c_0_1
64227  h_to_c_2_2 = +2*alpha*h_to_c_1_1
64228  h_to_c_0_3 = -1*h_to_c_1_2
64229  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
64230  h_to_c_2_3 = +2*alpha*h_to_c_1_2
64231  h_to_c_3_3 = +2*alpha*h_to_c_2_2
64232  h_to_c_0_4 = -1*h_to_c_1_3
64233  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
64234  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
64235  h_to_c_3_4 = +2*alpha*h_to_c_2_3
64236  h_to_c_4_4 = +2*alpha*h_to_c_3_3
64237  h_to_c_0_5 = -1*h_to_c_1_4
64238  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
64239  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
64240  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
64241  h_to_c_4_5 = +2*alpha*h_to_c_3_4
64242  h_to_c_5_5 = +2*alpha*h_to_c_4_4
64243 
64244  exp_drsq = exp(-alpha*dr*dr)
64245  exp_2drsq = exp_drsq*exp_drsq
64246 
64247  rr1_delta = (ra - rb)/dr
64248 
64249  rr1_l = ceiling(-r_c(1) + rr1_delta)
64250  rr1_r = floor(r_c(1) + rr1_delta)
64251 
64252  r1 = rr1_l*dr
64253 
64254  alpha_e = zeta*zetb/(zeta + zetb)
64255 
64256  DO rr1 = rr1_l, rr1_r
64257  s_r_t_0 = 0.0_dp
64258  s_r_t2_0 = 0.0_dp
64259  s_r_t_1 = 0.0_dp
64260  s_r_t2_1 = 0.0_dp
64261  s_r_t_2 = 0.0_dp
64262  s_r_t2_2 = 0.0_dp
64263  s_r_t_3 = 0.0_dp
64264  s_r_t2_3 = 0.0_dp
64265  s_r_t_4 = 0.0_dp
64266  s_r_t2_4 = 0.0_dp
64267  s_r_t_5 = 0.0_dp
64268  s_r_t2_5 = 0.0_dp
64269  r_tmp = r_offset + r1*zeta/(zeta + zetb)
64270  rr2_delta = -r_tmp/dr
64271 
64272  rr2_l = ceiling(-r_c(2) + rr2_delta)
64273  rr2_r = floor(r_c(2) + rr2_delta)
64274 
64275  r = r_tmp + (rr2_l)*dr
64276 
64277  exp2_2rdr = exp(-2*alpha*r*dr)
64278  exp2_rsq = exp(-alpha*r*r)
64279 
64280  DO rr2 = rr2_l, rr2_r
64281  r_pow_t = 1.0_dp
64282  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
64283  r_pow_t = r_pow_t*r
64284  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
64285  r_pow_t = r_pow_t*r
64286  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
64287  r_pow_t = r_pow_t*r
64288  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
64289  r_pow_t = r_pow_t*r
64290  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
64291  r_pow_t = r_pow_t*r
64292  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
64293 
64294  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
64295  exp2_2rdr = exp2_2rdr*exp_2drsq
64296  r = r + dr
64297  END DO
64298 
64299  ! C --> H
64300  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
64301  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
64302  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
64303  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
64304  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
64305  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
64306  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
64307  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
64308  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
64309  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
64310  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
64311  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
64312  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
64313  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
64314  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
64315  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
64316  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
64317  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
64318  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
64319  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
64320  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
64321 
64322  ! H --> HH
64323  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
64324 
64325  c1 = 1.0_dp/(zeta + zetb)
64326  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
64327  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
64328 
64329  e_0_0_1 = zetb*( &
64330  +c3*e_0_0_0&
64331 
64332  )
64333  e_1_0_1 = zetb*( c1*e_0_0_0 &
64334 
64335 
64336  )
64337  e_0_0_2 = zetb*( &
64338  +c3*e_0_0_1&
64339  +2*e_1_0_1 &
64340  -2*e_0_0_0)
64341  e_1_0_2 = zetb*( c1*e_0_0_1 &
64342  +c3*e_1_0_1&
64343 
64344  )
64345  e_2_0_2 = zetb*( c1*e_1_0_1 &
64346 
64347 
64348  )
64349  e_0_0_3 = zetb*( &
64350  +c3*e_0_0_2&
64351  +2*e_1_0_2 &
64352  -4*e_0_0_1)
64353  e_1_0_3 = zetb*( c1*e_0_0_2 &
64354  +c3*e_1_0_2&
64355  +4*e_2_0_2 &
64356  -4*e_1_0_1)
64357  e_2_0_3 = zetb*( c1*e_1_0_2 &
64358  +c3*e_2_0_2&
64359 
64360  )
64361  e_3_0_3 = zetb*( c1*e_2_0_2 &
64362 
64363 
64364  )
64365  e_0_0_4 = zetb*( &
64366  +c3*e_0_0_3&
64367  +2*e_1_0_3 &
64368  -6*e_0_0_2)
64369  e_1_0_4 = zetb*( c1*e_0_0_3 &
64370  +c3*e_1_0_3&
64371  +4*e_2_0_3 &
64372  -6*e_1_0_2)
64373  e_2_0_4 = zetb*( c1*e_1_0_3 &
64374  +c3*e_2_0_3&
64375  +6*e_3_0_3 &
64376  -6*e_2_0_2)
64377  e_3_0_4 = zetb*( c1*e_2_0_3 &
64378  +c3*e_3_0_3&
64379 
64380  )
64381  e_4_0_4 = zetb*( c1*e_3_0_3 &
64382 
64383 
64384  )
64385 
64386  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
64387  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
64388  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
64389  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
64390  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
64391  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
64392  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
64393  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
64394  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
64395  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
64396  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
64397  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
64398  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
64399  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
64400  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
64401  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
64402  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
64403  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
64404  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
64405  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
64406  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
64407  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
64408  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
64409  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
64410  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
64411  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
64412  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
64413  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
64414  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
64415  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
64416  r1 = r1 + dr
64417  END DO
64418 
64419  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
64420  END SUBROUTINE
64421  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_4_2_exp_1 ( &
64422  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
64423  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
64424  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
64425  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
64426  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
64427  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
64428  r_pow_t, r_tmp, rr1_delta, rr2_delta
64429 
64430  REAL(kind=dp) :: c1, c2, c3
64431  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
64432  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
64433  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
64434  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
64435  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
64436  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_0_4, e_1_0_4,&
64437  & e_2_0_4, e_3_0_4, e_4_0_4
64438 
64439  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
64440 
64441  dr = lgth
64442  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
64443 
64444  s_r(:, :, :) = 0.0_dp
64445 
64446  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
64447 
64448  h_to_c_0_0 = sqrt(alpha/pi)
64449 
64450  h_to_c_0_1 = 0.0_dp
64451  h_to_c_1_1 = +2*alpha*h_to_c_0_0
64452  h_to_c_0_2 = -1*h_to_c_1_1
64453  h_to_c_1_2 = +2*alpha*h_to_c_0_1
64454  h_to_c_2_2 = +2*alpha*h_to_c_1_1
64455  h_to_c_0_3 = -1*h_to_c_1_2
64456  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
64457  h_to_c_2_3 = +2*alpha*h_to_c_1_2
64458  h_to_c_3_3 = +2*alpha*h_to_c_2_2
64459  h_to_c_0_4 = -1*h_to_c_1_3
64460  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
64461  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
64462  h_to_c_3_4 = +2*alpha*h_to_c_2_3
64463  h_to_c_4_4 = +2*alpha*h_to_c_3_3
64464  h_to_c_0_5 = -1*h_to_c_1_4
64465  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
64466  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
64467  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
64468  h_to_c_4_5 = +2*alpha*h_to_c_3_4
64469  h_to_c_5_5 = +2*alpha*h_to_c_4_4
64470  h_to_c_0_6 = -1*h_to_c_1_5
64471  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
64472  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
64473  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
64474  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
64475  h_to_c_5_6 = +2*alpha*h_to_c_4_5
64476  h_to_c_6_6 = +2*alpha*h_to_c_5_5
64477 
64478  exp_drsq = exp(-alpha*dr*dr)
64479  exp_2drsq = exp_drsq*exp_drsq
64480 
64481  rr1_delta = (ra - rb)/dr
64482 
64483  rr1_l = ceiling(-r_c(1) + rr1_delta)
64484  rr1_r = floor(r_c(1) + rr1_delta)
64485 
64486  r1 = rr1_l*dr
64487 
64488  alpha_e = zeta*zetb/(zeta + zetb)
64489 
64490  DO rr1 = rr1_l, rr1_r
64491  s_r_t_0 = 0.0_dp
64492  s_r_t2_0 = 0.0_dp
64493  s_r_t_1 = 0.0_dp
64494  s_r_t2_1 = 0.0_dp
64495  s_r_t_2 = 0.0_dp
64496  s_r_t2_2 = 0.0_dp
64497  s_r_t_3 = 0.0_dp
64498  s_r_t2_3 = 0.0_dp
64499  s_r_t_4 = 0.0_dp
64500  s_r_t2_4 = 0.0_dp
64501  s_r_t_5 = 0.0_dp
64502  s_r_t2_5 = 0.0_dp
64503  s_r_t_6 = 0.0_dp
64504  s_r_t2_6 = 0.0_dp
64505  r_tmp = r_offset + r1*zeta/(zeta + zetb)
64506  rr2_delta = -r_tmp/dr
64507 
64508  rr2_l = ceiling(-r_c(2) + rr2_delta)
64509  rr2_r = floor(r_c(2) + rr2_delta)
64510 
64511  r = r_tmp + (rr2_l)*dr
64512 
64513  exp2_2rdr = exp(-2*alpha*r*dr)
64514  exp2_rsq = exp(-alpha*r*r)
64515 
64516  DO rr2 = rr2_l, rr2_r
64517  r_pow_t = 1.0_dp
64518  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
64519  r_pow_t = r_pow_t*r
64520  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
64521  r_pow_t = r_pow_t*r
64522  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
64523  r_pow_t = r_pow_t*r
64524  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
64525  r_pow_t = r_pow_t*r
64526  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
64527  r_pow_t = r_pow_t*r
64528  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
64529  r_pow_t = r_pow_t*r
64530  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
64531 
64532  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
64533  exp2_2rdr = exp2_2rdr*exp_2drsq
64534  r = r + dr
64535  END DO
64536 
64537  ! C --> H
64538  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
64539  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
64540  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
64541  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
64542  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
64543  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
64544  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
64545  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
64546  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
64547  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
64548  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
64549  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
64550  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
64551  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
64552  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
64553  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
64554  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
64555  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
64556  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
64557  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
64558  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
64559  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
64560  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
64561  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
64562  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
64563  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
64564  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
64565  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
64566 
64567  ! H --> HH
64568  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
64569 
64570  c1 = 1.0_dp/(zeta + zetb)
64571  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
64572  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
64573 
64574  e_0_0_1 = zetb*( &
64575  +c3*e_0_0_0&
64576 
64577  )
64578  e_1_0_1 = zetb*( c1*e_0_0_0 &
64579 
64580 
64581  )
64582  e_0_0_2 = zetb*( &
64583  +c3*e_0_0_1&
64584  +2*e_1_0_1 &
64585  -2*e_0_0_0)
64586  e_1_0_2 = zetb*( c1*e_0_0_1 &
64587  +c3*e_1_0_1&
64588 
64589  )
64590  e_2_0_2 = zetb*( c1*e_1_0_1 &
64591 
64592 
64593  )
64594  e_0_0_3 = zetb*( &
64595  +c3*e_0_0_2&
64596  +2*e_1_0_2 &
64597  -4*e_0_0_1)
64598  e_1_0_3 = zetb*( c1*e_0_0_2 &
64599  +c3*e_1_0_2&
64600  +4*e_2_0_2 &
64601  -4*e_1_0_1)
64602  e_2_0_3 = zetb*( c1*e_1_0_2 &
64603  +c3*e_2_0_2&
64604 
64605  )
64606  e_3_0_3 = zetb*( c1*e_2_0_2 &
64607 
64608 
64609  )
64610  e_0_0_4 = zetb*( &
64611  +c3*e_0_0_3&
64612  +2*e_1_0_3 &
64613  -6*e_0_0_2)
64614  e_1_0_4 = zetb*( c1*e_0_0_3 &
64615  +c3*e_1_0_3&
64616  +4*e_2_0_3 &
64617  -6*e_1_0_2)
64618  e_2_0_4 = zetb*( c1*e_1_0_3 &
64619  +c3*e_2_0_3&
64620  +6*e_3_0_3 &
64621  -6*e_2_0_2)
64622  e_3_0_4 = zetb*( c1*e_2_0_3 &
64623  +c3*e_3_0_3&
64624 
64625  )
64626  e_4_0_4 = zetb*( c1*e_3_0_3 &
64627 
64628 
64629  )
64630 
64631  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
64632  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
64633  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
64634  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
64635  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
64636  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
64637  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
64638  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
64639  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
64640  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
64641  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
64642  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
64643  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
64644  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
64645  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
64646  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
64647  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
64648  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
64649  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
64650  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
64651  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
64652  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
64653  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
64654  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
64655  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
64656  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
64657  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
64658  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
64659  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
64660  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
64661  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
64662  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
64663  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
64664  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
64665  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
64666  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
64667  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
64668  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
64669  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
64670  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
64671  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
64672  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
64673  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
64674  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
64675  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
64676  r1 = r1 + dr
64677  END DO
64678 
64679  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
64680  END SUBROUTINE
64681  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_4_3_exp_1 ( &
64682  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
64683  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
64684  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
64685  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
64686  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
64687  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
64688  r_pow_t, r_tmp, rr1_delta, rr2_delta
64689 
64690  REAL(kind=dp) :: c1, c2, c3
64691  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
64692  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
64693  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
64694  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
64695  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
64696  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
64697  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_0_4, e_1_0_4,&
64698  & e_2_0_4, e_3_0_4, e_4_0_4
64699 
64700  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
64701 
64702  dr = lgth
64703  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
64704 
64705  s_r(:, :, :) = 0.0_dp
64706 
64707  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
64708 
64709  h_to_c_0_0 = sqrt(alpha/pi)
64710 
64711  h_to_c_0_1 = 0.0_dp
64712  h_to_c_1_1 = +2*alpha*h_to_c_0_0
64713  h_to_c_0_2 = -1*h_to_c_1_1
64714  h_to_c_1_2 = +2*alpha*h_to_c_0_1
64715  h_to_c_2_2 = +2*alpha*h_to_c_1_1
64716  h_to_c_0_3 = -1*h_to_c_1_2
64717  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
64718  h_to_c_2_3 = +2*alpha*h_to_c_1_2
64719  h_to_c_3_3 = +2*alpha*h_to_c_2_2
64720  h_to_c_0_4 = -1*h_to_c_1_3
64721  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
64722  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
64723  h_to_c_3_4 = +2*alpha*h_to_c_2_3
64724  h_to_c_4_4 = +2*alpha*h_to_c_3_3
64725  h_to_c_0_5 = -1*h_to_c_1_4
64726  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
64727  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
64728  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
64729  h_to_c_4_5 = +2*alpha*h_to_c_3_4
64730  h_to_c_5_5 = +2*alpha*h_to_c_4_4
64731  h_to_c_0_6 = -1*h_to_c_1_5
64732  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
64733  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
64734  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
64735  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
64736  h_to_c_5_6 = +2*alpha*h_to_c_4_5
64737  h_to_c_6_6 = +2*alpha*h_to_c_5_5
64738  h_to_c_0_7 = -1*h_to_c_1_6
64739  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
64740  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
64741  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
64742  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
64743  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
64744  h_to_c_6_7 = +2*alpha*h_to_c_5_6
64745  h_to_c_7_7 = +2*alpha*h_to_c_6_6
64746 
64747  exp_drsq = exp(-alpha*dr*dr)
64748  exp_2drsq = exp_drsq*exp_drsq
64749 
64750  rr1_delta = (ra - rb)/dr
64751 
64752  rr1_l = ceiling(-r_c(1) + rr1_delta)
64753  rr1_r = floor(r_c(1) + rr1_delta)
64754 
64755  r1 = rr1_l*dr
64756 
64757  alpha_e = zeta*zetb/(zeta + zetb)
64758 
64759  DO rr1 = rr1_l, rr1_r
64760  s_r_t_0 = 0.0_dp
64761  s_r_t2_0 = 0.0_dp
64762  s_r_t_1 = 0.0_dp
64763  s_r_t2_1 = 0.0_dp
64764  s_r_t_2 = 0.0_dp
64765  s_r_t2_2 = 0.0_dp
64766  s_r_t_3 = 0.0_dp
64767  s_r_t2_3 = 0.0_dp
64768  s_r_t_4 = 0.0_dp
64769  s_r_t2_4 = 0.0_dp
64770  s_r_t_5 = 0.0_dp
64771  s_r_t2_5 = 0.0_dp
64772  s_r_t_6 = 0.0_dp
64773  s_r_t2_6 = 0.0_dp
64774  s_r_t_7 = 0.0_dp
64775  s_r_t2_7 = 0.0_dp
64776  r_tmp = r_offset + r1*zeta/(zeta + zetb)
64777  rr2_delta = -r_tmp/dr
64778 
64779  rr2_l = ceiling(-r_c(2) + rr2_delta)
64780  rr2_r = floor(r_c(2) + rr2_delta)
64781 
64782  r = r_tmp + (rr2_l)*dr
64783 
64784  exp2_2rdr = exp(-2*alpha*r*dr)
64785  exp2_rsq = exp(-alpha*r*r)
64786 
64787  DO rr2 = rr2_l, rr2_r
64788  r_pow_t = 1.0_dp
64789  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
64790  r_pow_t = r_pow_t*r
64791  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
64792  r_pow_t = r_pow_t*r
64793  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
64794  r_pow_t = r_pow_t*r
64795  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
64796  r_pow_t = r_pow_t*r
64797  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
64798  r_pow_t = r_pow_t*r
64799  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
64800  r_pow_t = r_pow_t*r
64801  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
64802  r_pow_t = r_pow_t*r
64803  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
64804 
64805  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
64806  exp2_2rdr = exp2_2rdr*exp_2drsq
64807  r = r + dr
64808  END DO
64809 
64810  ! C --> H
64811  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
64812  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
64813  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
64814  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
64815  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
64816  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
64817  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
64818  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
64819  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
64820  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
64821  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
64822  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
64823  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
64824  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
64825  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
64826  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
64827  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
64828  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
64829  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
64830  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
64831  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
64832  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
64833  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
64834  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
64835  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
64836  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
64837  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
64838  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
64839  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
64840  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
64841  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
64842  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
64843  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
64844  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
64845  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
64846  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
64847 
64848  ! H --> HH
64849  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
64850 
64851  c1 = 1.0_dp/(zeta + zetb)
64852  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
64853  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
64854 
64855  e_0_0_1 = zetb*( &
64856  +c3*e_0_0_0&
64857 
64858  )
64859  e_1_0_1 = zetb*( c1*e_0_0_0 &
64860 
64861 
64862  )
64863  e_0_0_2 = zetb*( &
64864  +c3*e_0_0_1&
64865  +2*e_1_0_1 &
64866  -2*e_0_0_0)
64867  e_1_0_2 = zetb*( c1*e_0_0_1 &
64868  +c3*e_1_0_1&
64869 
64870  )
64871  e_2_0_2 = zetb*( c1*e_1_0_1 &
64872 
64873 
64874  )
64875  e_0_0_3 = zetb*( &
64876  +c3*e_0_0_2&
64877  +2*e_1_0_2 &
64878  -4*e_0_0_1)
64879  e_1_0_3 = zetb*( c1*e_0_0_2 &
64880  +c3*e_1_0_2&
64881  +4*e_2_0_2 &
64882  -4*e_1_0_1)
64883  e_2_0_3 = zetb*( c1*e_1_0_2 &
64884  +c3*e_2_0_2&
64885 
64886  )
64887  e_3_0_3 = zetb*( c1*e_2_0_2 &
64888 
64889 
64890  )
64891  e_0_0_4 = zetb*( &
64892  +c3*e_0_0_3&
64893  +2*e_1_0_3 &
64894  -6*e_0_0_2)
64895  e_1_0_4 = zetb*( c1*e_0_0_3 &
64896  +c3*e_1_0_3&
64897  +4*e_2_0_3 &
64898  -6*e_1_0_2)
64899  e_2_0_4 = zetb*( c1*e_1_0_3 &
64900  +c3*e_2_0_3&
64901  +6*e_3_0_3 &
64902  -6*e_2_0_2)
64903  e_3_0_4 = zetb*( c1*e_2_0_3 &
64904  +c3*e_3_0_3&
64905 
64906  )
64907  e_4_0_4 = zetb*( c1*e_3_0_3 &
64908 
64909 
64910  )
64911 
64912  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
64913  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
64914  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
64915  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
64916  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
64917  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
64918  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
64919  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
64920  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
64921  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
64922  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
64923  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
64924  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
64925  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
64926  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
64927  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
64928  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
64929  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
64930  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
64931  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
64932  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
64933  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
64934  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
64935  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
64936  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
64937  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
64938  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
64939  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
64940  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
64941  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
64942  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
64943  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
64944  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
64945  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
64946  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
64947  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
64948  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
64949  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
64950  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
64951  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
64952  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
64953  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
64954  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
64955  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
64956  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
64957  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
64958  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
64959  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
64960  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
64961  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
64962  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
64963  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
64964  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
64965  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
64966  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
64967  s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
64968  s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
64969  s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
64970  s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
64971  s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
64972  r1 = r1 + dr
64973  END DO
64974 
64975  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
64976  END SUBROUTINE
64977  PURE SUBROUTINE pgf_sum_3c_rspace_1d_0_4_4_exp_1 ( &
64978  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
64979  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
64980  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
64981  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
64982  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
64983  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
64984  r_pow_t, r_tmp, rr1_delta, rr2_delta
64985 
64986  REAL(kind=dp) :: c1, c2, c3
64987  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
64988  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
64989  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
64990  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
64991  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
64992  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
64993  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
64994  REAL(kind=dp) :: e_0_0_0, e_0_0_1, e_1_0_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_0_4, e_1_0_4,&
64995  & e_2_0_4, e_3_0_4, e_4_0_4
64996 
64997  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
64998 
64999  dr = lgth
65000  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
65001 
65002  s_r(:, :, :) = 0.0_dp
65003 
65004  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
65005 
65006  h_to_c_0_0 = sqrt(alpha/pi)
65007 
65008  h_to_c_0_1 = 0.0_dp
65009  h_to_c_1_1 = +2*alpha*h_to_c_0_0
65010  h_to_c_0_2 = -1*h_to_c_1_1
65011  h_to_c_1_2 = +2*alpha*h_to_c_0_1
65012  h_to_c_2_2 = +2*alpha*h_to_c_1_1
65013  h_to_c_0_3 = -1*h_to_c_1_2
65014  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
65015  h_to_c_2_3 = +2*alpha*h_to_c_1_2
65016  h_to_c_3_3 = +2*alpha*h_to_c_2_2
65017  h_to_c_0_4 = -1*h_to_c_1_3
65018  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
65019  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
65020  h_to_c_3_4 = +2*alpha*h_to_c_2_3
65021  h_to_c_4_4 = +2*alpha*h_to_c_3_3
65022  h_to_c_0_5 = -1*h_to_c_1_4
65023  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
65024  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
65025  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
65026  h_to_c_4_5 = +2*alpha*h_to_c_3_4
65027  h_to_c_5_5 = +2*alpha*h_to_c_4_4
65028  h_to_c_0_6 = -1*h_to_c_1_5
65029  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
65030  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
65031  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
65032  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
65033  h_to_c_5_6 = +2*alpha*h_to_c_4_5
65034  h_to_c_6_6 = +2*alpha*h_to_c_5_5
65035  h_to_c_0_7 = -1*h_to_c_1_6
65036  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
65037  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
65038  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
65039  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
65040  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
65041  h_to_c_6_7 = +2*alpha*h_to_c_5_6
65042  h_to_c_7_7 = +2*alpha*h_to_c_6_6
65043  h_to_c_0_8 = -1*h_to_c_1_7
65044  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
65045  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
65046  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
65047  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
65048  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
65049  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
65050  h_to_c_7_8 = +2*alpha*h_to_c_6_7
65051  h_to_c_8_8 = +2*alpha*h_to_c_7_7
65052 
65053  exp_drsq = exp(-alpha*dr*dr)
65054  exp_2drsq = exp_drsq*exp_drsq
65055 
65056  rr1_delta = (ra - rb)/dr
65057 
65058  rr1_l = ceiling(-r_c(1) + rr1_delta)
65059  rr1_r = floor(r_c(1) + rr1_delta)
65060 
65061  r1 = rr1_l*dr
65062 
65063  alpha_e = zeta*zetb/(zeta + zetb)
65064 
65065  DO rr1 = rr1_l, rr1_r
65066  s_r_t_0 = 0.0_dp
65067  s_r_t2_0 = 0.0_dp
65068  s_r_t_1 = 0.0_dp
65069  s_r_t2_1 = 0.0_dp
65070  s_r_t_2 = 0.0_dp
65071  s_r_t2_2 = 0.0_dp
65072  s_r_t_3 = 0.0_dp
65073  s_r_t2_3 = 0.0_dp
65074  s_r_t_4 = 0.0_dp
65075  s_r_t2_4 = 0.0_dp
65076  s_r_t_5 = 0.0_dp
65077  s_r_t2_5 = 0.0_dp
65078  s_r_t_6 = 0.0_dp
65079  s_r_t2_6 = 0.0_dp
65080  s_r_t_7 = 0.0_dp
65081  s_r_t2_7 = 0.0_dp
65082  s_r_t_8 = 0.0_dp
65083  s_r_t2_8 = 0.0_dp
65084  r_tmp = r_offset + r1*zeta/(zeta + zetb)
65085  rr2_delta = -r_tmp/dr
65086 
65087  rr2_l = ceiling(-r_c(2) + rr2_delta)
65088  rr2_r = floor(r_c(2) + rr2_delta)
65089 
65090  r = r_tmp + (rr2_l)*dr
65091 
65092  exp2_2rdr = exp(-2*alpha*r*dr)
65093  exp2_rsq = exp(-alpha*r*r)
65094 
65095  DO rr2 = rr2_l, rr2_r
65096  r_pow_t = 1.0_dp
65097  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
65098  r_pow_t = r_pow_t*r
65099  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
65100  r_pow_t = r_pow_t*r
65101  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
65102  r_pow_t = r_pow_t*r
65103  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
65104  r_pow_t = r_pow_t*r
65105  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
65106  r_pow_t = r_pow_t*r
65107  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
65108  r_pow_t = r_pow_t*r
65109  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
65110  r_pow_t = r_pow_t*r
65111  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
65112  r_pow_t = r_pow_t*r
65113  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
65114 
65115  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
65116  exp2_2rdr = exp2_2rdr*exp_2drsq
65117  r = r + dr
65118  END DO
65119 
65120  ! C --> H
65121  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
65122  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
65123  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
65124  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
65125  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
65126  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
65127  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
65128  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
65129  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
65130  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
65131  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
65132  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
65133  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
65134  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
65135  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
65136  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
65137  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
65138  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
65139  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
65140  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
65141  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
65142  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
65143  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
65144  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
65145  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
65146  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
65147  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
65148  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
65149  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
65150  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
65151  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
65152  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
65153  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
65154  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
65155  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
65156  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
65157  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
65158  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
65159  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
65160  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
65161  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
65162  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
65163  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
65164  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
65165  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
65166 
65167  ! H --> HH
65168  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
65169 
65170  c1 = 1.0_dp/(zeta + zetb)
65171  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
65172  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
65173 
65174  e_0_0_1 = zetb*( &
65175  +c3*e_0_0_0&
65176 
65177  )
65178  e_1_0_1 = zetb*( c1*e_0_0_0 &
65179 
65180 
65181  )
65182  e_0_0_2 = zetb*( &
65183  +c3*e_0_0_1&
65184  +2*e_1_0_1 &
65185  -2*e_0_0_0)
65186  e_1_0_2 = zetb*( c1*e_0_0_1 &
65187  +c3*e_1_0_1&
65188 
65189  )
65190  e_2_0_2 = zetb*( c1*e_1_0_1 &
65191 
65192 
65193  )
65194  e_0_0_3 = zetb*( &
65195  +c3*e_0_0_2&
65196  +2*e_1_0_2 &
65197  -4*e_0_0_1)
65198  e_1_0_3 = zetb*( c1*e_0_0_2 &
65199  +c3*e_1_0_2&
65200  +4*e_2_0_2 &
65201  -4*e_1_0_1)
65202  e_2_0_3 = zetb*( c1*e_1_0_2 &
65203  +c3*e_2_0_2&
65204 
65205  )
65206  e_3_0_3 = zetb*( c1*e_2_0_2 &
65207 
65208 
65209  )
65210  e_0_0_4 = zetb*( &
65211  +c3*e_0_0_3&
65212  +2*e_1_0_3 &
65213  -6*e_0_0_2)
65214  e_1_0_4 = zetb*( c1*e_0_0_3 &
65215  +c3*e_1_0_3&
65216  +4*e_2_0_3 &
65217  -6*e_1_0_2)
65218  e_2_0_4 = zetb*( c1*e_1_0_3 &
65219  +c3*e_2_0_3&
65220  +6*e_3_0_3 &
65221  -6*e_2_0_2)
65222  e_3_0_4 = zetb*( c1*e_2_0_3 &
65223  +c3*e_3_0_3&
65224 
65225  )
65226  e_4_0_4 = zetb*( c1*e_3_0_3 &
65227 
65228 
65229  )
65230 
65231  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
65232  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
65233  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
65234  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
65235  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
65236  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
65237  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
65238  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
65239  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
65240  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
65241  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
65242  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
65243  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
65244  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
65245  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
65246  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
65247  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
65248  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
65249  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
65250  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
65251  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
65252  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
65253  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
65254  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
65255  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
65256  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
65257  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
65258  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
65259  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
65260  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
65261  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
65262  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
65263  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
65264  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
65265  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
65266  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
65267  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
65268  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
65269  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
65270  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
65271  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
65272  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
65273  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
65274  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
65275  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
65276  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
65277  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
65278  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
65279  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
65280  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
65281  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
65282  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
65283  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
65284  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
65285  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
65286  s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
65287  s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
65288  s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
65289  s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
65290  s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
65291  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
65292  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
65293  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
65294  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
65295  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
65296  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
65297  s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
65298  s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
65299  s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
65300  s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
65301  s_r(0, 4, 4) = s_r(0, 4, 4) + e_0_0_4*(1)*s_r_t2_4 ! cost: 5 flops
65302  s_r(0, 4, 4) = s_r(0, 4, 4) + e_1_0_4*(1)*s_r_t2_5 ! cost: 5 flops
65303  s_r(0, 4, 4) = s_r(0, 4, 4) + e_2_0_4*(1)*s_r_t2_6 ! cost: 5 flops
65304  s_r(0, 4, 4) = s_r(0, 4, 4) + e_3_0_4*(1)*s_r_t2_7 ! cost: 5 flops
65305  s_r(0, 4, 4) = s_r(0, 4, 4) + e_4_0_4*(1)*s_r_t2_8 ! cost: 5 flops
65306  r1 = r1 + dr
65307  END DO
65308 
65309  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
65310  END SUBROUTINE
65311  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_0_0_exp_1 ( &
65312  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
65313  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
65314  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
65315  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
65316  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
65317  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
65318  r_pow_t, r_tmp, rr1_delta, rr2_delta
65319 
65320  REAL(kind=dp) :: c1, c2, c3
65321  REAL(kind=dp) :: s_r_t_0, s_r_t_1
65322  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1
65323  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1
65324  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0
65325 
65326  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
65327 
65328  dr = lgth
65329  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
65330 
65331  s_r(:, :, :) = 0.0_dp
65332 
65333  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
65334 
65335  h_to_c_0_0 = sqrt(alpha/pi)
65336 
65337  h_to_c_0_1 = 0.0_dp
65338  h_to_c_1_1 = +2*alpha*h_to_c_0_0
65339 
65340  exp_drsq = exp(-alpha*dr*dr)
65341  exp_2drsq = exp_drsq*exp_drsq
65342 
65343  rr1_delta = (ra - rb)/dr
65344 
65345  rr1_l = ceiling(-r_c(1) + rr1_delta)
65346  rr1_r = floor(r_c(1) + rr1_delta)
65347 
65348  r1 = rr1_l*dr
65349 
65350  alpha_e = zeta*zetb/(zeta + zetb)
65351 
65352  DO rr1 = rr1_l, rr1_r
65353  s_r_t_0 = 0.0_dp
65354  s_r_t2_0 = 0.0_dp
65355  s_r_t_1 = 0.0_dp
65356  s_r_t2_1 = 0.0_dp
65357  r_tmp = r_offset + r1*zeta/(zeta + zetb)
65358  rr2_delta = -r_tmp/dr
65359 
65360  rr2_l = ceiling(-r_c(2) + rr2_delta)
65361  rr2_r = floor(r_c(2) + rr2_delta)
65362 
65363  r = r_tmp + (rr2_l)*dr
65364 
65365  exp2_2rdr = exp(-2*alpha*r*dr)
65366  exp2_rsq = exp(-alpha*r*r)
65367 
65368  DO rr2 = rr2_l, rr2_r
65369  r_pow_t = 1.0_dp
65370  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
65371  r_pow_t = r_pow_t*r
65372  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
65373 
65374  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
65375  exp2_2rdr = exp2_2rdr*exp_2drsq
65376  r = r + dr
65377  END DO
65378 
65379  ! C --> H
65380  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
65381  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
65382  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
65383 
65384  ! H --> HH
65385  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
65386 
65387  c1 = 1.0_dp/(zeta + zetb)
65388  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
65389  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
65390 
65391  e_0_1_0 = zeta*( &
65392  +c2*e_0_0_0&
65393 
65394  )
65395  e_1_1_0 = zeta*( c1*e_0_0_0 &
65396 
65397 
65398  )
65399 
65400  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
65401  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
65402  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
65403  r1 = r1 + dr
65404  END DO
65405 
65406  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
65407  END SUBROUTINE
65408  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_0_1_exp_1 ( &
65409  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
65410  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
65411  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
65412  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
65413  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
65414  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
65415  r_pow_t, r_tmp, rr1_delta, rr2_delta
65416 
65417  REAL(kind=dp) :: c1, c2, c3
65418  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2
65419  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2
65420  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2
65421  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0
65422 
65423  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
65424 
65425  dr = lgth
65426  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
65427 
65428  s_r(:, :, :) = 0.0_dp
65429 
65430  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
65431 
65432  h_to_c_0_0 = sqrt(alpha/pi)
65433 
65434  h_to_c_0_1 = 0.0_dp
65435  h_to_c_1_1 = +2*alpha*h_to_c_0_0
65436  h_to_c_0_2 = -1*h_to_c_1_1
65437  h_to_c_1_2 = +2*alpha*h_to_c_0_1
65438  h_to_c_2_2 = +2*alpha*h_to_c_1_1
65439 
65440  exp_drsq = exp(-alpha*dr*dr)
65441  exp_2drsq = exp_drsq*exp_drsq
65442 
65443  rr1_delta = (ra - rb)/dr
65444 
65445  rr1_l = ceiling(-r_c(1) + rr1_delta)
65446  rr1_r = floor(r_c(1) + rr1_delta)
65447 
65448  r1 = rr1_l*dr
65449 
65450  alpha_e = zeta*zetb/(zeta + zetb)
65451 
65452  DO rr1 = rr1_l, rr1_r
65453  s_r_t_0 = 0.0_dp
65454  s_r_t2_0 = 0.0_dp
65455  s_r_t_1 = 0.0_dp
65456  s_r_t2_1 = 0.0_dp
65457  s_r_t_2 = 0.0_dp
65458  s_r_t2_2 = 0.0_dp
65459  r_tmp = r_offset + r1*zeta/(zeta + zetb)
65460  rr2_delta = -r_tmp/dr
65461 
65462  rr2_l = ceiling(-r_c(2) + rr2_delta)
65463  rr2_r = floor(r_c(2) + rr2_delta)
65464 
65465  r = r_tmp + (rr2_l)*dr
65466 
65467  exp2_2rdr = exp(-2*alpha*r*dr)
65468  exp2_rsq = exp(-alpha*r*r)
65469 
65470  DO rr2 = rr2_l, rr2_r
65471  r_pow_t = 1.0_dp
65472  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
65473  r_pow_t = r_pow_t*r
65474  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
65475  r_pow_t = r_pow_t*r
65476  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
65477 
65478  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
65479  exp2_2rdr = exp2_2rdr*exp_2drsq
65480  r = r + dr
65481  END DO
65482 
65483  ! C --> H
65484  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
65485  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
65486  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
65487  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
65488  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
65489  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
65490 
65491  ! H --> HH
65492  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
65493 
65494  c1 = 1.0_dp/(zeta + zetb)
65495  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
65496  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
65497 
65498  e_0_1_0 = zeta*( &
65499  +c2*e_0_0_0&
65500 
65501  )
65502  e_1_1_0 = zeta*( c1*e_0_0_0 &
65503 
65504 
65505  )
65506 
65507  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
65508  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
65509  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
65510  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
65511  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
65512  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
65513  r1 = r1 + dr
65514  END DO
65515 
65516  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
65517  END SUBROUTINE
65518  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_0_2_exp_1 ( &
65519  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
65520  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
65521  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
65522  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
65523  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
65524  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
65525  r_pow_t, r_tmp, rr1_delta, rr2_delta
65526 
65527  REAL(kind=dp) :: c1, c2, c3
65528  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
65529  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
65530  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
65531  & h_to_c_3_3
65532  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0
65533 
65534  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
65535 
65536  dr = lgth
65537  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
65538 
65539  s_r(:, :, :) = 0.0_dp
65540 
65541  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
65542 
65543  h_to_c_0_0 = sqrt(alpha/pi)
65544 
65545  h_to_c_0_1 = 0.0_dp
65546  h_to_c_1_1 = +2*alpha*h_to_c_0_0
65547  h_to_c_0_2 = -1*h_to_c_1_1
65548  h_to_c_1_2 = +2*alpha*h_to_c_0_1
65549  h_to_c_2_2 = +2*alpha*h_to_c_1_1
65550  h_to_c_0_3 = -1*h_to_c_1_2
65551  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
65552  h_to_c_2_3 = +2*alpha*h_to_c_1_2
65553  h_to_c_3_3 = +2*alpha*h_to_c_2_2
65554 
65555  exp_drsq = exp(-alpha*dr*dr)
65556  exp_2drsq = exp_drsq*exp_drsq
65557 
65558  rr1_delta = (ra - rb)/dr
65559 
65560  rr1_l = ceiling(-r_c(1) + rr1_delta)
65561  rr1_r = floor(r_c(1) + rr1_delta)
65562 
65563  r1 = rr1_l*dr
65564 
65565  alpha_e = zeta*zetb/(zeta + zetb)
65566 
65567  DO rr1 = rr1_l, rr1_r
65568  s_r_t_0 = 0.0_dp
65569  s_r_t2_0 = 0.0_dp
65570  s_r_t_1 = 0.0_dp
65571  s_r_t2_1 = 0.0_dp
65572  s_r_t_2 = 0.0_dp
65573  s_r_t2_2 = 0.0_dp
65574  s_r_t_3 = 0.0_dp
65575  s_r_t2_3 = 0.0_dp
65576  r_tmp = r_offset + r1*zeta/(zeta + zetb)
65577  rr2_delta = -r_tmp/dr
65578 
65579  rr2_l = ceiling(-r_c(2) + rr2_delta)
65580  rr2_r = floor(r_c(2) + rr2_delta)
65581 
65582  r = r_tmp + (rr2_l)*dr
65583 
65584  exp2_2rdr = exp(-2*alpha*r*dr)
65585  exp2_rsq = exp(-alpha*r*r)
65586 
65587  DO rr2 = rr2_l, rr2_r
65588  r_pow_t = 1.0_dp
65589  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
65590  r_pow_t = r_pow_t*r
65591  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
65592  r_pow_t = r_pow_t*r
65593  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
65594  r_pow_t = r_pow_t*r
65595  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
65596 
65597  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
65598  exp2_2rdr = exp2_2rdr*exp_2drsq
65599  r = r + dr
65600  END DO
65601 
65602  ! C --> H
65603  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
65604  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
65605  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
65606  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
65607  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
65608  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
65609  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
65610  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
65611  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
65612  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
65613 
65614  ! H --> HH
65615  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
65616 
65617  c1 = 1.0_dp/(zeta + zetb)
65618  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
65619  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
65620 
65621  e_0_1_0 = zeta*( &
65622  +c2*e_0_0_0&
65623 
65624  )
65625  e_1_1_0 = zeta*( c1*e_0_0_0 &
65626 
65627 
65628  )
65629 
65630  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
65631  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
65632  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
65633  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
65634  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
65635  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
65636  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
65637  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
65638  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
65639  r1 = r1 + dr
65640  END DO
65641 
65642  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
65643  END SUBROUTINE
65644  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_0_3_exp_1 ( &
65645  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
65646  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
65647  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
65648  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
65649  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
65650  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
65651  r_pow_t, r_tmp, rr1_delta, rr2_delta
65652 
65653  REAL(kind=dp) :: c1, c2, c3
65654  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
65655  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
65656  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
65657  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
65658  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0
65659 
65660  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
65661 
65662  dr = lgth
65663  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
65664 
65665  s_r(:, :, :) = 0.0_dp
65666 
65667  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
65668 
65669  h_to_c_0_0 = sqrt(alpha/pi)
65670 
65671  h_to_c_0_1 = 0.0_dp
65672  h_to_c_1_1 = +2*alpha*h_to_c_0_0
65673  h_to_c_0_2 = -1*h_to_c_1_1
65674  h_to_c_1_2 = +2*alpha*h_to_c_0_1
65675  h_to_c_2_2 = +2*alpha*h_to_c_1_1
65676  h_to_c_0_3 = -1*h_to_c_1_2
65677  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
65678  h_to_c_2_3 = +2*alpha*h_to_c_1_2
65679  h_to_c_3_3 = +2*alpha*h_to_c_2_2
65680  h_to_c_0_4 = -1*h_to_c_1_3
65681  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
65682  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
65683  h_to_c_3_4 = +2*alpha*h_to_c_2_3
65684  h_to_c_4_4 = +2*alpha*h_to_c_3_3
65685 
65686  exp_drsq = exp(-alpha*dr*dr)
65687  exp_2drsq = exp_drsq*exp_drsq
65688 
65689  rr1_delta = (ra - rb)/dr
65690 
65691  rr1_l = ceiling(-r_c(1) + rr1_delta)
65692  rr1_r = floor(r_c(1) + rr1_delta)
65693 
65694  r1 = rr1_l*dr
65695 
65696  alpha_e = zeta*zetb/(zeta + zetb)
65697 
65698  DO rr1 = rr1_l, rr1_r
65699  s_r_t_0 = 0.0_dp
65700  s_r_t2_0 = 0.0_dp
65701  s_r_t_1 = 0.0_dp
65702  s_r_t2_1 = 0.0_dp
65703  s_r_t_2 = 0.0_dp
65704  s_r_t2_2 = 0.0_dp
65705  s_r_t_3 = 0.0_dp
65706  s_r_t2_3 = 0.0_dp
65707  s_r_t_4 = 0.0_dp
65708  s_r_t2_4 = 0.0_dp
65709  r_tmp = r_offset + r1*zeta/(zeta + zetb)
65710  rr2_delta = -r_tmp/dr
65711 
65712  rr2_l = ceiling(-r_c(2) + rr2_delta)
65713  rr2_r = floor(r_c(2) + rr2_delta)
65714 
65715  r = r_tmp + (rr2_l)*dr
65716 
65717  exp2_2rdr = exp(-2*alpha*r*dr)
65718  exp2_rsq = exp(-alpha*r*r)
65719 
65720  DO rr2 = rr2_l, rr2_r
65721  r_pow_t = 1.0_dp
65722  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
65723  r_pow_t = r_pow_t*r
65724  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
65725  r_pow_t = r_pow_t*r
65726  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
65727  r_pow_t = r_pow_t*r
65728  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
65729  r_pow_t = r_pow_t*r
65730  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
65731 
65732  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
65733  exp2_2rdr = exp2_2rdr*exp_2drsq
65734  r = r + dr
65735  END DO
65736 
65737  ! C --> H
65738  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
65739  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
65740  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
65741  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
65742  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
65743  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
65744  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
65745  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
65746  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
65747  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
65748  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
65749  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
65750  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
65751  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
65752  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
65753 
65754  ! H --> HH
65755  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
65756 
65757  c1 = 1.0_dp/(zeta + zetb)
65758  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
65759  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
65760 
65761  e_0_1_0 = zeta*( &
65762  +c2*e_0_0_0&
65763 
65764  )
65765  e_1_1_0 = zeta*( c1*e_0_0_0 &
65766 
65767 
65768  )
65769 
65770  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
65771  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
65772  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
65773  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
65774  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
65775  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
65776  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
65777  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
65778  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
65779  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
65780  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
65781  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
65782  r1 = r1 + dr
65783  END DO
65784 
65785  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
65786  END SUBROUTINE
65787  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_0_4_exp_1 ( &
65788  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
65789  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
65790  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
65791  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
65792  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
65793  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
65794  r_pow_t, r_tmp, rr1_delta, rr2_delta
65795 
65796  REAL(kind=dp) :: c1, c2, c3
65797  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
65798  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
65799  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
65800  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
65801  & h_to_c_4_5, h_to_c_5_5
65802  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0
65803 
65804  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
65805 
65806  dr = lgth
65807  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
65808 
65809  s_r(:, :, :) = 0.0_dp
65810 
65811  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
65812 
65813  h_to_c_0_0 = sqrt(alpha/pi)
65814 
65815  h_to_c_0_1 = 0.0_dp
65816  h_to_c_1_1 = +2*alpha*h_to_c_0_0
65817  h_to_c_0_2 = -1*h_to_c_1_1
65818  h_to_c_1_2 = +2*alpha*h_to_c_0_1
65819  h_to_c_2_2 = +2*alpha*h_to_c_1_1
65820  h_to_c_0_3 = -1*h_to_c_1_2
65821  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
65822  h_to_c_2_3 = +2*alpha*h_to_c_1_2
65823  h_to_c_3_3 = +2*alpha*h_to_c_2_2
65824  h_to_c_0_4 = -1*h_to_c_1_3
65825  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
65826  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
65827  h_to_c_3_4 = +2*alpha*h_to_c_2_3
65828  h_to_c_4_4 = +2*alpha*h_to_c_3_3
65829  h_to_c_0_5 = -1*h_to_c_1_4
65830  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
65831  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
65832  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
65833  h_to_c_4_5 = +2*alpha*h_to_c_3_4
65834  h_to_c_5_5 = +2*alpha*h_to_c_4_4
65835 
65836  exp_drsq = exp(-alpha*dr*dr)
65837  exp_2drsq = exp_drsq*exp_drsq
65838 
65839  rr1_delta = (ra - rb)/dr
65840 
65841  rr1_l = ceiling(-r_c(1) + rr1_delta)
65842  rr1_r = floor(r_c(1) + rr1_delta)
65843 
65844  r1 = rr1_l*dr
65845 
65846  alpha_e = zeta*zetb/(zeta + zetb)
65847 
65848  DO rr1 = rr1_l, rr1_r
65849  s_r_t_0 = 0.0_dp
65850  s_r_t2_0 = 0.0_dp
65851  s_r_t_1 = 0.0_dp
65852  s_r_t2_1 = 0.0_dp
65853  s_r_t_2 = 0.0_dp
65854  s_r_t2_2 = 0.0_dp
65855  s_r_t_3 = 0.0_dp
65856  s_r_t2_3 = 0.0_dp
65857  s_r_t_4 = 0.0_dp
65858  s_r_t2_4 = 0.0_dp
65859  s_r_t_5 = 0.0_dp
65860  s_r_t2_5 = 0.0_dp
65861  r_tmp = r_offset + r1*zeta/(zeta + zetb)
65862  rr2_delta = -r_tmp/dr
65863 
65864  rr2_l = ceiling(-r_c(2) + rr2_delta)
65865  rr2_r = floor(r_c(2) + rr2_delta)
65866 
65867  r = r_tmp + (rr2_l)*dr
65868 
65869  exp2_2rdr = exp(-2*alpha*r*dr)
65870  exp2_rsq = exp(-alpha*r*r)
65871 
65872  DO rr2 = rr2_l, rr2_r
65873  r_pow_t = 1.0_dp
65874  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
65875  r_pow_t = r_pow_t*r
65876  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
65877  r_pow_t = r_pow_t*r
65878  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
65879  r_pow_t = r_pow_t*r
65880  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
65881  r_pow_t = r_pow_t*r
65882  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
65883  r_pow_t = r_pow_t*r
65884  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
65885 
65886  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
65887  exp2_2rdr = exp2_2rdr*exp_2drsq
65888  r = r + dr
65889  END DO
65890 
65891  ! C --> H
65892  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
65893  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
65894  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
65895  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
65896  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
65897  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
65898  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
65899  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
65900  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
65901  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
65902  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
65903  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
65904  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
65905  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
65906  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
65907  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
65908  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
65909  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
65910  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
65911  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
65912  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
65913 
65914  ! H --> HH
65915  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
65916 
65917  c1 = 1.0_dp/(zeta + zetb)
65918  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
65919  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
65920 
65921  e_0_1_0 = zeta*( &
65922  +c2*e_0_0_0&
65923 
65924  )
65925  e_1_1_0 = zeta*( c1*e_0_0_0 &
65926 
65927 
65928  )
65929 
65930  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
65931  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
65932  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
65933  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
65934  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
65935  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
65936  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
65937  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
65938  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
65939  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
65940  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
65941  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
65942  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
65943  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
65944  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
65945  r1 = r1 + dr
65946  END DO
65947 
65948  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
65949  END SUBROUTINE
65950  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_1_0_exp_1 ( &
65951  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
65952  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
65953  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
65954  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
65955  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
65956  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
65957  r_pow_t, r_tmp, rr1_delta, rr2_delta
65958 
65959  REAL(kind=dp) :: c1, c2, c3
65960  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2
65961  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2
65962  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2
65963  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1
65964 
65965  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
65966 
65967  dr = lgth
65968  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
65969 
65970  s_r(:, :, :) = 0.0_dp
65971 
65972  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
65973 
65974  h_to_c_0_0 = sqrt(alpha/pi)
65975 
65976  h_to_c_0_1 = 0.0_dp
65977  h_to_c_1_1 = +2*alpha*h_to_c_0_0
65978  h_to_c_0_2 = -1*h_to_c_1_1
65979  h_to_c_1_2 = +2*alpha*h_to_c_0_1
65980  h_to_c_2_2 = +2*alpha*h_to_c_1_1
65981 
65982  exp_drsq = exp(-alpha*dr*dr)
65983  exp_2drsq = exp_drsq*exp_drsq
65984 
65985  rr1_delta = (ra - rb)/dr
65986 
65987  rr1_l = ceiling(-r_c(1) + rr1_delta)
65988  rr1_r = floor(r_c(1) + rr1_delta)
65989 
65990  r1 = rr1_l*dr
65991 
65992  alpha_e = zeta*zetb/(zeta + zetb)
65993 
65994  DO rr1 = rr1_l, rr1_r
65995  s_r_t_0 = 0.0_dp
65996  s_r_t2_0 = 0.0_dp
65997  s_r_t_1 = 0.0_dp
65998  s_r_t2_1 = 0.0_dp
65999  s_r_t_2 = 0.0_dp
66000  s_r_t2_2 = 0.0_dp
66001  r_tmp = r_offset + r1*zeta/(zeta + zetb)
66002  rr2_delta = -r_tmp/dr
66003 
66004  rr2_l = ceiling(-r_c(2) + rr2_delta)
66005  rr2_r = floor(r_c(2) + rr2_delta)
66006 
66007  r = r_tmp + (rr2_l)*dr
66008 
66009  exp2_2rdr = exp(-2*alpha*r*dr)
66010  exp2_rsq = exp(-alpha*r*r)
66011 
66012  DO rr2 = rr2_l, rr2_r
66013  r_pow_t = 1.0_dp
66014  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
66015  r_pow_t = r_pow_t*r
66016  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
66017  r_pow_t = r_pow_t*r
66018  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
66019 
66020  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
66021  exp2_2rdr = exp2_2rdr*exp_2drsq
66022  r = r + dr
66023  END DO
66024 
66025  ! C --> H
66026  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
66027  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
66028  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
66029  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
66030  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
66031  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
66032 
66033  ! H --> HH
66034  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
66035 
66036  c1 = 1.0_dp/(zeta + zetb)
66037  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
66038  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
66039 
66040  e_0_1_0 = zeta*( &
66041  +c2*e_0_0_0&
66042 
66043  )
66044  e_0_0_1 = zetb*( &
66045  +c3*e_0_0_0&
66046 
66047  )
66048  e_1_1_0 = zeta*( c1*e_0_0_0 &
66049 
66050 
66051  )
66052  e_1_0_1 = zetb*( c1*e_0_0_0 &
66053 
66054 
66055  )
66056  e_0_1_1 = zetb*( &
66057  +c3*e_0_1_0&
66058  +2*e_1_1_0 &
66059  )
66060  e_1_1_1 = zetb*( c1*e_0_1_0 &
66061  +c3*e_1_1_0&
66062 
66063  )
66064  e_2_1_1 = zetb*( c1*e_1_1_0 &
66065 
66066 
66067  )
66068  e_0_1_1 = zeta*( &
66069  +c2*e_0_0_1&
66070  +2*e_1_0_1 &
66071  )
66072  e_1_1_1 = zeta*( c1*e_0_0_1 &
66073  +c2*e_1_0_1&
66074 
66075  )
66076  e_2_1_1 = zeta*( c1*e_1_0_1 &
66077 
66078 
66079  )
66080 
66081  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
66082  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
66083  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
66084  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
66085  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
66086  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
66087  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
66088  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
66089  r1 = r1 + dr
66090  END DO
66091 
66092  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
66093  END SUBROUTINE
66094  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_1_1_exp_1 ( &
66095  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
66096  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
66097  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
66098  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
66099  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
66100  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
66101  r_pow_t, r_tmp, rr1_delta, rr2_delta
66102 
66103  REAL(kind=dp) :: c1, c2, c3
66104  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
66105  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
66106  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
66107  & h_to_c_3_3
66108  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1
66109 
66110  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
66111 
66112  dr = lgth
66113  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
66114 
66115  s_r(:, :, :) = 0.0_dp
66116 
66117  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
66118 
66119  h_to_c_0_0 = sqrt(alpha/pi)
66120 
66121  h_to_c_0_1 = 0.0_dp
66122  h_to_c_1_1 = +2*alpha*h_to_c_0_0
66123  h_to_c_0_2 = -1*h_to_c_1_1
66124  h_to_c_1_2 = +2*alpha*h_to_c_0_1
66125  h_to_c_2_2 = +2*alpha*h_to_c_1_1
66126  h_to_c_0_3 = -1*h_to_c_1_2
66127  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
66128  h_to_c_2_3 = +2*alpha*h_to_c_1_2
66129  h_to_c_3_3 = +2*alpha*h_to_c_2_2
66130 
66131  exp_drsq = exp(-alpha*dr*dr)
66132  exp_2drsq = exp_drsq*exp_drsq
66133 
66134  rr1_delta = (ra - rb)/dr
66135 
66136  rr1_l = ceiling(-r_c(1) + rr1_delta)
66137  rr1_r = floor(r_c(1) + rr1_delta)
66138 
66139  r1 = rr1_l*dr
66140 
66141  alpha_e = zeta*zetb/(zeta + zetb)
66142 
66143  DO rr1 = rr1_l, rr1_r
66144  s_r_t_0 = 0.0_dp
66145  s_r_t2_0 = 0.0_dp
66146  s_r_t_1 = 0.0_dp
66147  s_r_t2_1 = 0.0_dp
66148  s_r_t_2 = 0.0_dp
66149  s_r_t2_2 = 0.0_dp
66150  s_r_t_3 = 0.0_dp
66151  s_r_t2_3 = 0.0_dp
66152  r_tmp = r_offset + r1*zeta/(zeta + zetb)
66153  rr2_delta = -r_tmp/dr
66154 
66155  rr2_l = ceiling(-r_c(2) + rr2_delta)
66156  rr2_r = floor(r_c(2) + rr2_delta)
66157 
66158  r = r_tmp + (rr2_l)*dr
66159 
66160  exp2_2rdr = exp(-2*alpha*r*dr)
66161  exp2_rsq = exp(-alpha*r*r)
66162 
66163  DO rr2 = rr2_l, rr2_r
66164  r_pow_t = 1.0_dp
66165  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
66166  r_pow_t = r_pow_t*r
66167  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
66168  r_pow_t = r_pow_t*r
66169  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
66170  r_pow_t = r_pow_t*r
66171  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
66172 
66173  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
66174  exp2_2rdr = exp2_2rdr*exp_2drsq
66175  r = r + dr
66176  END DO
66177 
66178  ! C --> H
66179  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
66180  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
66181  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
66182  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
66183  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
66184  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
66185  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
66186  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
66187  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
66188  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
66189 
66190  ! H --> HH
66191  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
66192 
66193  c1 = 1.0_dp/(zeta + zetb)
66194  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
66195  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
66196 
66197  e_0_1_0 = zeta*( &
66198  +c2*e_0_0_0&
66199 
66200  )
66201  e_0_0_1 = zetb*( &
66202  +c3*e_0_0_0&
66203 
66204  )
66205  e_1_1_0 = zeta*( c1*e_0_0_0 &
66206 
66207 
66208  )
66209  e_1_0_1 = zetb*( c1*e_0_0_0 &
66210 
66211 
66212  )
66213  e_0_1_1 = zetb*( &
66214  +c3*e_0_1_0&
66215  +2*e_1_1_0 &
66216  )
66217  e_1_1_1 = zetb*( c1*e_0_1_0 &
66218  +c3*e_1_1_0&
66219 
66220  )
66221  e_2_1_1 = zetb*( c1*e_1_1_0 &
66222 
66223 
66224  )
66225  e_0_1_1 = zeta*( &
66226  +c2*e_0_0_1&
66227  +2*e_1_0_1 &
66228  )
66229  e_1_1_1 = zeta*( c1*e_0_0_1 &
66230  +c2*e_1_0_1&
66231 
66232  )
66233  e_2_1_1 = zeta*( c1*e_1_0_1 &
66234 
66235 
66236  )
66237 
66238  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
66239  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
66240  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
66241  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
66242  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
66243  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
66244  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
66245  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
66246  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
66247  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
66248  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
66249  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
66250  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
66251  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
66252  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
66253  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
66254  r1 = r1 + dr
66255  END DO
66256 
66257  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
66258  END SUBROUTINE
66259  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_1_2_exp_1 ( &
66260  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
66261  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
66262  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
66263  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
66264  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
66265  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
66266  r_pow_t, r_tmp, rr1_delta, rr2_delta
66267 
66268  REAL(kind=dp) :: c1, c2, c3
66269  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
66270  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
66271  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
66272  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
66273  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1
66274 
66275  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
66276 
66277  dr = lgth
66278  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
66279 
66280  s_r(:, :, :) = 0.0_dp
66281 
66282  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
66283 
66284  h_to_c_0_0 = sqrt(alpha/pi)
66285 
66286  h_to_c_0_1 = 0.0_dp
66287  h_to_c_1_1 = +2*alpha*h_to_c_0_0
66288  h_to_c_0_2 = -1*h_to_c_1_1
66289  h_to_c_1_2 = +2*alpha*h_to_c_0_1
66290  h_to_c_2_2 = +2*alpha*h_to_c_1_1
66291  h_to_c_0_3 = -1*h_to_c_1_2
66292  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
66293  h_to_c_2_3 = +2*alpha*h_to_c_1_2
66294  h_to_c_3_3 = +2*alpha*h_to_c_2_2
66295  h_to_c_0_4 = -1*h_to_c_1_3
66296  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
66297  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
66298  h_to_c_3_4 = +2*alpha*h_to_c_2_3
66299  h_to_c_4_4 = +2*alpha*h_to_c_3_3
66300 
66301  exp_drsq = exp(-alpha*dr*dr)
66302  exp_2drsq = exp_drsq*exp_drsq
66303 
66304  rr1_delta = (ra - rb)/dr
66305 
66306  rr1_l = ceiling(-r_c(1) + rr1_delta)
66307  rr1_r = floor(r_c(1) + rr1_delta)
66308 
66309  r1 = rr1_l*dr
66310 
66311  alpha_e = zeta*zetb/(zeta + zetb)
66312 
66313  DO rr1 = rr1_l, rr1_r
66314  s_r_t_0 = 0.0_dp
66315  s_r_t2_0 = 0.0_dp
66316  s_r_t_1 = 0.0_dp
66317  s_r_t2_1 = 0.0_dp
66318  s_r_t_2 = 0.0_dp
66319  s_r_t2_2 = 0.0_dp
66320  s_r_t_3 = 0.0_dp
66321  s_r_t2_3 = 0.0_dp
66322  s_r_t_4 = 0.0_dp
66323  s_r_t2_4 = 0.0_dp
66324  r_tmp = r_offset + r1*zeta/(zeta + zetb)
66325  rr2_delta = -r_tmp/dr
66326 
66327  rr2_l = ceiling(-r_c(2) + rr2_delta)
66328  rr2_r = floor(r_c(2) + rr2_delta)
66329 
66330  r = r_tmp + (rr2_l)*dr
66331 
66332  exp2_2rdr = exp(-2*alpha*r*dr)
66333  exp2_rsq = exp(-alpha*r*r)
66334 
66335  DO rr2 = rr2_l, rr2_r
66336  r_pow_t = 1.0_dp
66337  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
66338  r_pow_t = r_pow_t*r
66339  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
66340  r_pow_t = r_pow_t*r
66341  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
66342  r_pow_t = r_pow_t*r
66343  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
66344  r_pow_t = r_pow_t*r
66345  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
66346 
66347  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
66348  exp2_2rdr = exp2_2rdr*exp_2drsq
66349  r = r + dr
66350  END DO
66351 
66352  ! C --> H
66353  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
66354  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
66355  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
66356  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
66357  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
66358  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
66359  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
66360  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
66361  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
66362  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
66363  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
66364  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
66365  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
66366  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
66367  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
66368 
66369  ! H --> HH
66370  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
66371 
66372  c1 = 1.0_dp/(zeta + zetb)
66373  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
66374  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
66375 
66376  e_0_1_0 = zeta*( &
66377  +c2*e_0_0_0&
66378 
66379  )
66380  e_0_0_1 = zetb*( &
66381  +c3*e_0_0_0&
66382 
66383  )
66384  e_1_1_0 = zeta*( c1*e_0_0_0 &
66385 
66386 
66387  )
66388  e_1_0_1 = zetb*( c1*e_0_0_0 &
66389 
66390 
66391  )
66392  e_0_1_1 = zetb*( &
66393  +c3*e_0_1_0&
66394  +2*e_1_1_0 &
66395  )
66396  e_1_1_1 = zetb*( c1*e_0_1_0 &
66397  +c3*e_1_1_0&
66398 
66399  )
66400  e_2_1_1 = zetb*( c1*e_1_1_0 &
66401 
66402 
66403  )
66404  e_0_1_1 = zeta*( &
66405  +c2*e_0_0_1&
66406  +2*e_1_0_1 &
66407  )
66408  e_1_1_1 = zeta*( c1*e_0_0_1 &
66409  +c2*e_1_0_1&
66410 
66411  )
66412  e_2_1_1 = zeta*( c1*e_1_0_1 &
66413 
66414 
66415  )
66416 
66417  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
66418  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
66419  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
66420  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
66421  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
66422  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
66423  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
66424  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
66425  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
66426  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
66427  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
66428  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
66429  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
66430  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
66431  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
66432  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
66433  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
66434  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
66435  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
66436  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
66437  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
66438  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
66439  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
66440  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
66441  r1 = r1 + dr
66442  END DO
66443 
66444  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
66445  END SUBROUTINE
66446  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_1_3_exp_1 ( &
66447  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
66448  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
66449  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
66450  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
66451  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
66452  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
66453  r_pow_t, r_tmp, rr1_delta, rr2_delta
66454 
66455  REAL(kind=dp) :: c1, c2, c3
66456  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
66457  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
66458  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
66459  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
66460  & h_to_c_4_5, h_to_c_5_5
66461  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1
66462 
66463  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
66464 
66465  dr = lgth
66466  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
66467 
66468  s_r(:, :, :) = 0.0_dp
66469 
66470  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
66471 
66472  h_to_c_0_0 = sqrt(alpha/pi)
66473 
66474  h_to_c_0_1 = 0.0_dp
66475  h_to_c_1_1 = +2*alpha*h_to_c_0_0
66476  h_to_c_0_2 = -1*h_to_c_1_1
66477  h_to_c_1_2 = +2*alpha*h_to_c_0_1
66478  h_to_c_2_2 = +2*alpha*h_to_c_1_1
66479  h_to_c_0_3 = -1*h_to_c_1_2
66480  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
66481  h_to_c_2_3 = +2*alpha*h_to_c_1_2
66482  h_to_c_3_3 = +2*alpha*h_to_c_2_2
66483  h_to_c_0_4 = -1*h_to_c_1_3
66484  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
66485  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
66486  h_to_c_3_4 = +2*alpha*h_to_c_2_3
66487  h_to_c_4_4 = +2*alpha*h_to_c_3_3
66488  h_to_c_0_5 = -1*h_to_c_1_4
66489  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
66490  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
66491  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
66492  h_to_c_4_5 = +2*alpha*h_to_c_3_4
66493  h_to_c_5_5 = +2*alpha*h_to_c_4_4
66494 
66495  exp_drsq = exp(-alpha*dr*dr)
66496  exp_2drsq = exp_drsq*exp_drsq
66497 
66498  rr1_delta = (ra - rb)/dr
66499 
66500  rr1_l = ceiling(-r_c(1) + rr1_delta)
66501  rr1_r = floor(r_c(1) + rr1_delta)
66502 
66503  r1 = rr1_l*dr
66504 
66505  alpha_e = zeta*zetb/(zeta + zetb)
66506 
66507  DO rr1 = rr1_l, rr1_r
66508  s_r_t_0 = 0.0_dp
66509  s_r_t2_0 = 0.0_dp
66510  s_r_t_1 = 0.0_dp
66511  s_r_t2_1 = 0.0_dp
66512  s_r_t_2 = 0.0_dp
66513  s_r_t2_2 = 0.0_dp
66514  s_r_t_3 = 0.0_dp
66515  s_r_t2_3 = 0.0_dp
66516  s_r_t_4 = 0.0_dp
66517  s_r_t2_4 = 0.0_dp
66518  s_r_t_5 = 0.0_dp
66519  s_r_t2_5 = 0.0_dp
66520  r_tmp = r_offset + r1*zeta/(zeta + zetb)
66521  rr2_delta = -r_tmp/dr
66522 
66523  rr2_l = ceiling(-r_c(2) + rr2_delta)
66524  rr2_r = floor(r_c(2) + rr2_delta)
66525 
66526  r = r_tmp + (rr2_l)*dr
66527 
66528  exp2_2rdr = exp(-2*alpha*r*dr)
66529  exp2_rsq = exp(-alpha*r*r)
66530 
66531  DO rr2 = rr2_l, rr2_r
66532  r_pow_t = 1.0_dp
66533  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
66534  r_pow_t = r_pow_t*r
66535  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
66536  r_pow_t = r_pow_t*r
66537  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
66538  r_pow_t = r_pow_t*r
66539  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
66540  r_pow_t = r_pow_t*r
66541  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
66542  r_pow_t = r_pow_t*r
66543  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
66544 
66545  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
66546  exp2_2rdr = exp2_2rdr*exp_2drsq
66547  r = r + dr
66548  END DO
66549 
66550  ! C --> H
66551  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
66552  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
66553  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
66554  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
66555  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
66556  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
66557  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
66558  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
66559  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
66560  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
66561  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
66562  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
66563  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
66564  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
66565  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
66566  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
66567  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
66568  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
66569  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
66570  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
66571  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
66572 
66573  ! H --> HH
66574  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
66575 
66576  c1 = 1.0_dp/(zeta + zetb)
66577  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
66578  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
66579 
66580  e_0_1_0 = zeta*( &
66581  +c2*e_0_0_0&
66582 
66583  )
66584  e_0_0_1 = zetb*( &
66585  +c3*e_0_0_0&
66586 
66587  )
66588  e_1_1_0 = zeta*( c1*e_0_0_0 &
66589 
66590 
66591  )
66592  e_1_0_1 = zetb*( c1*e_0_0_0 &
66593 
66594 
66595  )
66596  e_0_1_1 = zetb*( &
66597  +c3*e_0_1_0&
66598  +2*e_1_1_0 &
66599  )
66600  e_1_1_1 = zetb*( c1*e_0_1_0 &
66601  +c3*e_1_1_0&
66602 
66603  )
66604  e_2_1_1 = zetb*( c1*e_1_1_0 &
66605 
66606 
66607  )
66608  e_0_1_1 = zeta*( &
66609  +c2*e_0_0_1&
66610  +2*e_1_0_1 &
66611  )
66612  e_1_1_1 = zeta*( c1*e_0_0_1 &
66613  +c2*e_1_0_1&
66614 
66615  )
66616  e_2_1_1 = zeta*( c1*e_1_0_1 &
66617 
66618 
66619  )
66620 
66621  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
66622  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
66623  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
66624  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
66625  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
66626  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
66627  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
66628  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
66629  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
66630  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
66631  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
66632  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
66633  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
66634  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
66635  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
66636  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
66637  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
66638  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
66639  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
66640  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
66641  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
66642  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
66643  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
66644  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
66645  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
66646  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
66647  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
66648  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
66649  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
66650  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
66651  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
66652  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
66653  r1 = r1 + dr
66654  END DO
66655 
66656  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
66657  END SUBROUTINE
66658  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_1_4_exp_1 ( &
66659  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
66660  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
66661  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
66662  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
66663  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
66664  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
66665  r_pow_t, r_tmp, rr1_delta, rr2_delta
66666 
66667  REAL(kind=dp) :: c1, c2, c3
66668  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
66669  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
66670  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
66671  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
66672  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
66673  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1
66674 
66675  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
66676 
66677  dr = lgth
66678  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
66679 
66680  s_r(:, :, :) = 0.0_dp
66681 
66682  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
66683 
66684  h_to_c_0_0 = sqrt(alpha/pi)
66685 
66686  h_to_c_0_1 = 0.0_dp
66687  h_to_c_1_1 = +2*alpha*h_to_c_0_0
66688  h_to_c_0_2 = -1*h_to_c_1_1
66689  h_to_c_1_2 = +2*alpha*h_to_c_0_1
66690  h_to_c_2_2 = +2*alpha*h_to_c_1_1
66691  h_to_c_0_3 = -1*h_to_c_1_2
66692  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
66693  h_to_c_2_3 = +2*alpha*h_to_c_1_2
66694  h_to_c_3_3 = +2*alpha*h_to_c_2_2
66695  h_to_c_0_4 = -1*h_to_c_1_3
66696  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
66697  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
66698  h_to_c_3_4 = +2*alpha*h_to_c_2_3
66699  h_to_c_4_4 = +2*alpha*h_to_c_3_3
66700  h_to_c_0_5 = -1*h_to_c_1_4
66701  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
66702  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
66703  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
66704  h_to_c_4_5 = +2*alpha*h_to_c_3_4
66705  h_to_c_5_5 = +2*alpha*h_to_c_4_4
66706  h_to_c_0_6 = -1*h_to_c_1_5
66707  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
66708  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
66709  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
66710  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
66711  h_to_c_5_6 = +2*alpha*h_to_c_4_5
66712  h_to_c_6_6 = +2*alpha*h_to_c_5_5
66713 
66714  exp_drsq = exp(-alpha*dr*dr)
66715  exp_2drsq = exp_drsq*exp_drsq
66716 
66717  rr1_delta = (ra - rb)/dr
66718 
66719  rr1_l = ceiling(-r_c(1) + rr1_delta)
66720  rr1_r = floor(r_c(1) + rr1_delta)
66721 
66722  r1 = rr1_l*dr
66723 
66724  alpha_e = zeta*zetb/(zeta + zetb)
66725 
66726  DO rr1 = rr1_l, rr1_r
66727  s_r_t_0 = 0.0_dp
66728  s_r_t2_0 = 0.0_dp
66729  s_r_t_1 = 0.0_dp
66730  s_r_t2_1 = 0.0_dp
66731  s_r_t_2 = 0.0_dp
66732  s_r_t2_2 = 0.0_dp
66733  s_r_t_3 = 0.0_dp
66734  s_r_t2_3 = 0.0_dp
66735  s_r_t_4 = 0.0_dp
66736  s_r_t2_4 = 0.0_dp
66737  s_r_t_5 = 0.0_dp
66738  s_r_t2_5 = 0.0_dp
66739  s_r_t_6 = 0.0_dp
66740  s_r_t2_6 = 0.0_dp
66741  r_tmp = r_offset + r1*zeta/(zeta + zetb)
66742  rr2_delta = -r_tmp/dr
66743 
66744  rr2_l = ceiling(-r_c(2) + rr2_delta)
66745  rr2_r = floor(r_c(2) + rr2_delta)
66746 
66747  r = r_tmp + (rr2_l)*dr
66748 
66749  exp2_2rdr = exp(-2*alpha*r*dr)
66750  exp2_rsq = exp(-alpha*r*r)
66751 
66752  DO rr2 = rr2_l, rr2_r
66753  r_pow_t = 1.0_dp
66754  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
66755  r_pow_t = r_pow_t*r
66756  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
66757  r_pow_t = r_pow_t*r
66758  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
66759  r_pow_t = r_pow_t*r
66760  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
66761  r_pow_t = r_pow_t*r
66762  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
66763  r_pow_t = r_pow_t*r
66764  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
66765  r_pow_t = r_pow_t*r
66766  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
66767 
66768  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
66769  exp2_2rdr = exp2_2rdr*exp_2drsq
66770  r = r + dr
66771  END DO
66772 
66773  ! C --> H
66774  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
66775  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
66776  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
66777  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
66778  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
66779  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
66780  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
66781  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
66782  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
66783  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
66784  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
66785  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
66786  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
66787  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
66788  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
66789  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
66790  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
66791  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
66792  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
66793  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
66794  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
66795  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
66796  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
66797  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
66798  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
66799  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
66800  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
66801  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
66802 
66803  ! H --> HH
66804  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
66805 
66806  c1 = 1.0_dp/(zeta + zetb)
66807  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
66808  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
66809 
66810  e_0_1_0 = zeta*( &
66811  +c2*e_0_0_0&
66812 
66813  )
66814  e_0_0_1 = zetb*( &
66815  +c3*e_0_0_0&
66816 
66817  )
66818  e_1_1_0 = zeta*( c1*e_0_0_0 &
66819 
66820 
66821  )
66822  e_1_0_1 = zetb*( c1*e_0_0_0 &
66823 
66824 
66825  )
66826  e_0_1_1 = zetb*( &
66827  +c3*e_0_1_0&
66828  +2*e_1_1_0 &
66829  )
66830  e_1_1_1 = zetb*( c1*e_0_1_0 &
66831  +c3*e_1_1_0&
66832 
66833  )
66834  e_2_1_1 = zetb*( c1*e_1_1_0 &
66835 
66836 
66837  )
66838  e_0_1_1 = zeta*( &
66839  +c2*e_0_0_1&
66840  +2*e_1_0_1 &
66841  )
66842  e_1_1_1 = zeta*( c1*e_0_0_1 &
66843  +c2*e_1_0_1&
66844 
66845  )
66846  e_2_1_1 = zeta*( c1*e_1_0_1 &
66847 
66848 
66849  )
66850 
66851  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
66852  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
66853  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
66854  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
66855  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
66856  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
66857  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
66858  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
66859  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
66860  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
66861  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
66862  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
66863  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
66864  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
66865  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
66866  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
66867  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
66868  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
66869  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
66870  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
66871  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
66872  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
66873  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
66874  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
66875  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
66876  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
66877  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
66878  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
66879  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
66880  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
66881  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
66882  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
66883  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
66884  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
66885  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
66886  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
66887  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
66888  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
66889  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
66890  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
66891  r1 = r1 + dr
66892  END DO
66893 
66894  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
66895  END SUBROUTINE
66896  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_2_0_exp_1 ( &
66897  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
66898  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
66899  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
66900  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
66901  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
66902  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
66903  r_pow_t, r_tmp, rr1_delta, rr2_delta
66904 
66905  REAL(kind=dp) :: c1, c2, c3
66906  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
66907  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
66908  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
66909  & h_to_c_3_3
66910  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
66911  & e_1_1_2, e_2_1_2, e_3_1_2
66912 
66913  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
66914 
66915  dr = lgth
66916  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
66917 
66918  s_r(:, :, :) = 0.0_dp
66919 
66920  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
66921 
66922  h_to_c_0_0 = sqrt(alpha/pi)
66923 
66924  h_to_c_0_1 = 0.0_dp
66925  h_to_c_1_1 = +2*alpha*h_to_c_0_0
66926  h_to_c_0_2 = -1*h_to_c_1_1
66927  h_to_c_1_2 = +2*alpha*h_to_c_0_1
66928  h_to_c_2_2 = +2*alpha*h_to_c_1_1
66929  h_to_c_0_3 = -1*h_to_c_1_2
66930  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
66931  h_to_c_2_3 = +2*alpha*h_to_c_1_2
66932  h_to_c_3_3 = +2*alpha*h_to_c_2_2
66933 
66934  exp_drsq = exp(-alpha*dr*dr)
66935  exp_2drsq = exp_drsq*exp_drsq
66936 
66937  rr1_delta = (ra - rb)/dr
66938 
66939  rr1_l = ceiling(-r_c(1) + rr1_delta)
66940  rr1_r = floor(r_c(1) + rr1_delta)
66941 
66942  r1 = rr1_l*dr
66943 
66944  alpha_e = zeta*zetb/(zeta + zetb)
66945 
66946  DO rr1 = rr1_l, rr1_r
66947  s_r_t_0 = 0.0_dp
66948  s_r_t2_0 = 0.0_dp
66949  s_r_t_1 = 0.0_dp
66950  s_r_t2_1 = 0.0_dp
66951  s_r_t_2 = 0.0_dp
66952  s_r_t2_2 = 0.0_dp
66953  s_r_t_3 = 0.0_dp
66954  s_r_t2_3 = 0.0_dp
66955  r_tmp = r_offset + r1*zeta/(zeta + zetb)
66956  rr2_delta = -r_tmp/dr
66957 
66958  rr2_l = ceiling(-r_c(2) + rr2_delta)
66959  rr2_r = floor(r_c(2) + rr2_delta)
66960 
66961  r = r_tmp + (rr2_l)*dr
66962 
66963  exp2_2rdr = exp(-2*alpha*r*dr)
66964  exp2_rsq = exp(-alpha*r*r)
66965 
66966  DO rr2 = rr2_l, rr2_r
66967  r_pow_t = 1.0_dp
66968  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
66969  r_pow_t = r_pow_t*r
66970  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
66971  r_pow_t = r_pow_t*r
66972  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
66973  r_pow_t = r_pow_t*r
66974  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
66975 
66976  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
66977  exp2_2rdr = exp2_2rdr*exp_2drsq
66978  r = r + dr
66979  END DO
66980 
66981  ! C --> H
66982  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
66983  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
66984  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
66985  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
66986  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
66987  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
66988  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
66989  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
66990  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
66991  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
66992 
66993  ! H --> HH
66994  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
66995 
66996  c1 = 1.0_dp/(zeta + zetb)
66997  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
66998  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
66999 
67000  e_0_1_0 = zeta*( &
67001  +c2*e_0_0_0&
67002 
67003  )
67004  e_0_0_1 = zetb*( &
67005  +c3*e_0_0_0&
67006 
67007  )
67008  e_1_1_0 = zeta*( c1*e_0_0_0 &
67009 
67010 
67011  )
67012  e_1_0_1 = zetb*( c1*e_0_0_0 &
67013 
67014 
67015  )
67016  e_0_1_1 = zetb*( &
67017  +c3*e_0_1_0&
67018  +2*e_1_1_0 &
67019  )
67020  e_1_1_1 = zetb*( c1*e_0_1_0 &
67021  +c3*e_1_1_0&
67022 
67023  )
67024  e_2_1_1 = zetb*( c1*e_1_1_0 &
67025 
67026 
67027  )
67028  e_0_1_1 = zeta*( &
67029  +c2*e_0_0_1&
67030  +2*e_1_0_1 &
67031  )
67032  e_0_0_2 = zetb*( &
67033  +c3*e_0_0_1&
67034  +2*e_1_0_1 &
67035  -2*e_0_0_0)
67036  e_1_1_1 = zeta*( c1*e_0_0_1 &
67037  +c2*e_1_0_1&
67038 
67039  )
67040  e_1_0_2 = zetb*( c1*e_0_0_1 &
67041  +c3*e_1_0_1&
67042 
67043  )
67044  e_2_1_1 = zeta*( c1*e_1_0_1 &
67045 
67046 
67047  )
67048  e_2_0_2 = zetb*( c1*e_1_0_1 &
67049 
67050 
67051  )
67052  e_0_1_2 = zetb*( &
67053  +c3*e_0_1_1&
67054  +2*e_1_1_1 &
67055  -2*e_0_1_0)
67056  e_1_1_2 = zetb*( c1*e_0_1_1 &
67057  +c3*e_1_1_1&
67058  +4*e_2_1_1 &
67059  -2*e_1_1_0)
67060  e_2_1_2 = zetb*( c1*e_1_1_1 &
67061  +c3*e_2_1_1&
67062 
67063  )
67064  e_3_1_2 = zetb*( c1*e_2_1_1 &
67065 
67066 
67067  )
67068  e_0_1_2 = zeta*( &
67069  +c2*e_0_0_2&
67070  +2*e_1_0_2 &
67071  )
67072  e_1_1_2 = zeta*( c1*e_0_0_2 &
67073  +c2*e_1_0_2&
67074  +4*e_2_0_2 &
67075  )
67076  e_2_1_2 = zeta*( c1*e_1_0_2 &
67077  +c2*e_2_0_2&
67078 
67079  )
67080  e_3_1_2 = zeta*( c1*e_2_0_2 &
67081 
67082 
67083  )
67084 
67085  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
67086  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
67087  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
67088  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
67089  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
67090  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
67091  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
67092  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
67093  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
67094  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
67095  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
67096  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
67097  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
67098  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
67099  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
67100  r1 = r1 + dr
67101  END DO
67102 
67103  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
67104  END SUBROUTINE
67105  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_2_1_exp_1 ( &
67106  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
67107  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
67108  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
67109  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
67110  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
67111  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
67112  r_pow_t, r_tmp, rr1_delta, rr2_delta
67113 
67114  REAL(kind=dp) :: c1, c2, c3
67115  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
67116  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
67117  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
67118  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
67119  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
67120  & e_1_1_2, e_2_1_2, e_3_1_2
67121 
67122  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
67123 
67124  dr = lgth
67125  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
67126 
67127  s_r(:, :, :) = 0.0_dp
67128 
67129  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
67130 
67131  h_to_c_0_0 = sqrt(alpha/pi)
67132 
67133  h_to_c_0_1 = 0.0_dp
67134  h_to_c_1_1 = +2*alpha*h_to_c_0_0
67135  h_to_c_0_2 = -1*h_to_c_1_1
67136  h_to_c_1_2 = +2*alpha*h_to_c_0_1
67137  h_to_c_2_2 = +2*alpha*h_to_c_1_1
67138  h_to_c_0_3 = -1*h_to_c_1_2
67139  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
67140  h_to_c_2_3 = +2*alpha*h_to_c_1_2
67141  h_to_c_3_3 = +2*alpha*h_to_c_2_2
67142  h_to_c_0_4 = -1*h_to_c_1_3
67143  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
67144  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
67145  h_to_c_3_4 = +2*alpha*h_to_c_2_3
67146  h_to_c_4_4 = +2*alpha*h_to_c_3_3
67147 
67148  exp_drsq = exp(-alpha*dr*dr)
67149  exp_2drsq = exp_drsq*exp_drsq
67150 
67151  rr1_delta = (ra - rb)/dr
67152 
67153  rr1_l = ceiling(-r_c(1) + rr1_delta)
67154  rr1_r = floor(r_c(1) + rr1_delta)
67155 
67156  r1 = rr1_l*dr
67157 
67158  alpha_e = zeta*zetb/(zeta + zetb)
67159 
67160  DO rr1 = rr1_l, rr1_r
67161  s_r_t_0 = 0.0_dp
67162  s_r_t2_0 = 0.0_dp
67163  s_r_t_1 = 0.0_dp
67164  s_r_t2_1 = 0.0_dp
67165  s_r_t_2 = 0.0_dp
67166  s_r_t2_2 = 0.0_dp
67167  s_r_t_3 = 0.0_dp
67168  s_r_t2_3 = 0.0_dp
67169  s_r_t_4 = 0.0_dp
67170  s_r_t2_4 = 0.0_dp
67171  r_tmp = r_offset + r1*zeta/(zeta + zetb)
67172  rr2_delta = -r_tmp/dr
67173 
67174  rr2_l = ceiling(-r_c(2) + rr2_delta)
67175  rr2_r = floor(r_c(2) + rr2_delta)
67176 
67177  r = r_tmp + (rr2_l)*dr
67178 
67179  exp2_2rdr = exp(-2*alpha*r*dr)
67180  exp2_rsq = exp(-alpha*r*r)
67181 
67182  DO rr2 = rr2_l, rr2_r
67183  r_pow_t = 1.0_dp
67184  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
67185  r_pow_t = r_pow_t*r
67186  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
67187  r_pow_t = r_pow_t*r
67188  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
67189  r_pow_t = r_pow_t*r
67190  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
67191  r_pow_t = r_pow_t*r
67192  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
67193 
67194  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
67195  exp2_2rdr = exp2_2rdr*exp_2drsq
67196  r = r + dr
67197  END DO
67198 
67199  ! C --> H
67200  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
67201  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
67202  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
67203  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
67204  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
67205  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
67206  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
67207  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
67208  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
67209  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
67210  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
67211  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
67212  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
67213  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
67214  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
67215 
67216  ! H --> HH
67217  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
67218 
67219  c1 = 1.0_dp/(zeta + zetb)
67220  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
67221  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
67222 
67223  e_0_1_0 = zeta*( &
67224  +c2*e_0_0_0&
67225 
67226  )
67227  e_0_0_1 = zetb*( &
67228  +c3*e_0_0_0&
67229 
67230  )
67231  e_1_1_0 = zeta*( c1*e_0_0_0 &
67232 
67233 
67234  )
67235  e_1_0_1 = zetb*( c1*e_0_0_0 &
67236 
67237 
67238  )
67239  e_0_1_1 = zetb*( &
67240  +c3*e_0_1_0&
67241  +2*e_1_1_0 &
67242  )
67243  e_1_1_1 = zetb*( c1*e_0_1_0 &
67244  +c3*e_1_1_0&
67245 
67246  )
67247  e_2_1_1 = zetb*( c1*e_1_1_0 &
67248 
67249 
67250  )
67251  e_0_1_1 = zeta*( &
67252  +c2*e_0_0_1&
67253  +2*e_1_0_1 &
67254  )
67255  e_0_0_2 = zetb*( &
67256  +c3*e_0_0_1&
67257  +2*e_1_0_1 &
67258  -2*e_0_0_0)
67259  e_1_1_1 = zeta*( c1*e_0_0_1 &
67260  +c2*e_1_0_1&
67261 
67262  )
67263  e_1_0_2 = zetb*( c1*e_0_0_1 &
67264  +c3*e_1_0_1&
67265 
67266  )
67267  e_2_1_1 = zeta*( c1*e_1_0_1 &
67268 
67269 
67270  )
67271  e_2_0_2 = zetb*( c1*e_1_0_1 &
67272 
67273 
67274  )
67275  e_0_1_2 = zetb*( &
67276  +c3*e_0_1_1&
67277  +2*e_1_1_1 &
67278  -2*e_0_1_0)
67279  e_1_1_2 = zetb*( c1*e_0_1_1 &
67280  +c3*e_1_1_1&
67281  +4*e_2_1_1 &
67282  -2*e_1_1_0)
67283  e_2_1_2 = zetb*( c1*e_1_1_1 &
67284  +c3*e_2_1_1&
67285 
67286  )
67287  e_3_1_2 = zetb*( c1*e_2_1_1 &
67288 
67289 
67290  )
67291  e_0_1_2 = zeta*( &
67292  +c2*e_0_0_2&
67293  +2*e_1_0_2 &
67294  )
67295  e_1_1_2 = zeta*( c1*e_0_0_2 &
67296  +c2*e_1_0_2&
67297  +4*e_2_0_2 &
67298  )
67299  e_2_1_2 = zeta*( c1*e_1_0_2 &
67300  +c2*e_2_0_2&
67301 
67302  )
67303  e_3_1_2 = zeta*( c1*e_2_0_2 &
67304 
67305 
67306  )
67307 
67308  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
67309  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
67310  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
67311  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
67312  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
67313  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
67314  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
67315  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
67316  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
67317  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
67318  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
67319  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
67320  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
67321  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
67322  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
67323  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
67324  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
67325  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
67326  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
67327  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
67328  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
67329  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
67330  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
67331  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
67332  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
67333  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
67334  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
67335  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
67336  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
67337  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
67338  r1 = r1 + dr
67339  END DO
67340 
67341  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
67342  END SUBROUTINE
67343  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_2_2_exp_1 ( &
67344  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
67345  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
67346  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
67347  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
67348  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
67349  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
67350  r_pow_t, r_tmp, rr1_delta, rr2_delta
67351 
67352  REAL(kind=dp) :: c1, c2, c3
67353  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
67354  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
67355  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
67356  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
67357  & h_to_c_4_5, h_to_c_5_5
67358  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
67359  & e_1_1_2, e_2_1_2, e_3_1_2
67360 
67361  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
67362 
67363  dr = lgth
67364  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
67365 
67366  s_r(:, :, :) = 0.0_dp
67367 
67368  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
67369 
67370  h_to_c_0_0 = sqrt(alpha/pi)
67371 
67372  h_to_c_0_1 = 0.0_dp
67373  h_to_c_1_1 = +2*alpha*h_to_c_0_0
67374  h_to_c_0_2 = -1*h_to_c_1_1
67375  h_to_c_1_2 = +2*alpha*h_to_c_0_1
67376  h_to_c_2_2 = +2*alpha*h_to_c_1_1
67377  h_to_c_0_3 = -1*h_to_c_1_2
67378  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
67379  h_to_c_2_3 = +2*alpha*h_to_c_1_2
67380  h_to_c_3_3 = +2*alpha*h_to_c_2_2
67381  h_to_c_0_4 = -1*h_to_c_1_3
67382  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
67383  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
67384  h_to_c_3_4 = +2*alpha*h_to_c_2_3
67385  h_to_c_4_4 = +2*alpha*h_to_c_3_3
67386  h_to_c_0_5 = -1*h_to_c_1_4
67387  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
67388  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
67389  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
67390  h_to_c_4_5 = +2*alpha*h_to_c_3_4
67391  h_to_c_5_5 = +2*alpha*h_to_c_4_4
67392 
67393  exp_drsq = exp(-alpha*dr*dr)
67394  exp_2drsq = exp_drsq*exp_drsq
67395 
67396  rr1_delta = (ra - rb)/dr
67397 
67398  rr1_l = ceiling(-r_c(1) + rr1_delta)
67399  rr1_r = floor(r_c(1) + rr1_delta)
67400 
67401  r1 = rr1_l*dr
67402 
67403  alpha_e = zeta*zetb/(zeta + zetb)
67404 
67405  DO rr1 = rr1_l, rr1_r
67406  s_r_t_0 = 0.0_dp
67407  s_r_t2_0 = 0.0_dp
67408  s_r_t_1 = 0.0_dp
67409  s_r_t2_1 = 0.0_dp
67410  s_r_t_2 = 0.0_dp
67411  s_r_t2_2 = 0.0_dp
67412  s_r_t_3 = 0.0_dp
67413  s_r_t2_3 = 0.0_dp
67414  s_r_t_4 = 0.0_dp
67415  s_r_t2_4 = 0.0_dp
67416  s_r_t_5 = 0.0_dp
67417  s_r_t2_5 = 0.0_dp
67418  r_tmp = r_offset + r1*zeta/(zeta + zetb)
67419  rr2_delta = -r_tmp/dr
67420 
67421  rr2_l = ceiling(-r_c(2) + rr2_delta)
67422  rr2_r = floor(r_c(2) + rr2_delta)
67423 
67424  r = r_tmp + (rr2_l)*dr
67425 
67426  exp2_2rdr = exp(-2*alpha*r*dr)
67427  exp2_rsq = exp(-alpha*r*r)
67428 
67429  DO rr2 = rr2_l, rr2_r
67430  r_pow_t = 1.0_dp
67431  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
67432  r_pow_t = r_pow_t*r
67433  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
67434  r_pow_t = r_pow_t*r
67435  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
67436  r_pow_t = r_pow_t*r
67437  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
67438  r_pow_t = r_pow_t*r
67439  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
67440  r_pow_t = r_pow_t*r
67441  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
67442 
67443  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
67444  exp2_2rdr = exp2_2rdr*exp_2drsq
67445  r = r + dr
67446  END DO
67447 
67448  ! C --> H
67449  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
67450  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
67451  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
67452  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
67453  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
67454  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
67455  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
67456  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
67457  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
67458  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
67459  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
67460  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
67461  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
67462  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
67463  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
67464  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
67465  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
67466  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
67467  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
67468  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
67469  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
67470 
67471  ! H --> HH
67472  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
67473 
67474  c1 = 1.0_dp/(zeta + zetb)
67475  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
67476  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
67477 
67478  e_0_1_0 = zeta*( &
67479  +c2*e_0_0_0&
67480 
67481  )
67482  e_0_0_1 = zetb*( &
67483  +c3*e_0_0_0&
67484 
67485  )
67486  e_1_1_0 = zeta*( c1*e_0_0_0 &
67487 
67488 
67489  )
67490  e_1_0_1 = zetb*( c1*e_0_0_0 &
67491 
67492 
67493  )
67494  e_0_1_1 = zetb*( &
67495  +c3*e_0_1_0&
67496  +2*e_1_1_0 &
67497  )
67498  e_1_1_1 = zetb*( c1*e_0_1_0 &
67499  +c3*e_1_1_0&
67500 
67501  )
67502  e_2_1_1 = zetb*( c1*e_1_1_0 &
67503 
67504 
67505  )
67506  e_0_1_1 = zeta*( &
67507  +c2*e_0_0_1&
67508  +2*e_1_0_1 &
67509  )
67510  e_0_0_2 = zetb*( &
67511  +c3*e_0_0_1&
67512  +2*e_1_0_1 &
67513  -2*e_0_0_0)
67514  e_1_1_1 = zeta*( c1*e_0_0_1 &
67515  +c2*e_1_0_1&
67516 
67517  )
67518  e_1_0_2 = zetb*( c1*e_0_0_1 &
67519  +c3*e_1_0_1&
67520 
67521  )
67522  e_2_1_1 = zeta*( c1*e_1_0_1 &
67523 
67524 
67525  )
67526  e_2_0_2 = zetb*( c1*e_1_0_1 &
67527 
67528 
67529  )
67530  e_0_1_2 = zetb*( &
67531  +c3*e_0_1_1&
67532  +2*e_1_1_1 &
67533  -2*e_0_1_0)
67534  e_1_1_2 = zetb*( c1*e_0_1_1 &
67535  +c3*e_1_1_1&
67536  +4*e_2_1_1 &
67537  -2*e_1_1_0)
67538  e_2_1_2 = zetb*( c1*e_1_1_1 &
67539  +c3*e_2_1_1&
67540 
67541  )
67542  e_3_1_2 = zetb*( c1*e_2_1_1 &
67543 
67544 
67545  )
67546  e_0_1_2 = zeta*( &
67547  +c2*e_0_0_2&
67548  +2*e_1_0_2 &
67549  )
67550  e_1_1_2 = zeta*( c1*e_0_0_2 &
67551  +c2*e_1_0_2&
67552  +4*e_2_0_2 &
67553  )
67554  e_2_1_2 = zeta*( c1*e_1_0_2 &
67555  +c2*e_2_0_2&
67556 
67557  )
67558  e_3_1_2 = zeta*( c1*e_2_0_2 &
67559 
67560 
67561  )
67562 
67563  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
67564  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
67565  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
67566  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
67567  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
67568  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
67569  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
67570  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
67571  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
67572  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
67573  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
67574  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
67575  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
67576  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
67577  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
67578  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
67579  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
67580  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
67581  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
67582  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
67583  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
67584  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
67585  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
67586  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
67587  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
67588  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
67589  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
67590  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
67591  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
67592  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
67593  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
67594  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
67595  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
67596  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
67597  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
67598  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
67599  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
67600  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
67601  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
67602  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
67603  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
67604  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
67605  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
67606  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
67607  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
67608  r1 = r1 + dr
67609  END DO
67610 
67611  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
67612  END SUBROUTINE
67613  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_2_3_exp_1 ( &
67614  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
67615  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
67616  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
67617  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
67618  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
67619  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
67620  r_pow_t, r_tmp, rr1_delta, rr2_delta
67621 
67622  REAL(kind=dp) :: c1, c2, c3
67623  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
67624  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
67625  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
67626  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
67627  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
67628  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
67629  & e_1_1_2, e_2_1_2, e_3_1_2
67630 
67631  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
67632 
67633  dr = lgth
67634  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
67635 
67636  s_r(:, :, :) = 0.0_dp
67637 
67638  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
67639 
67640  h_to_c_0_0 = sqrt(alpha/pi)
67641 
67642  h_to_c_0_1 = 0.0_dp
67643  h_to_c_1_1 = +2*alpha*h_to_c_0_0
67644  h_to_c_0_2 = -1*h_to_c_1_1
67645  h_to_c_1_2 = +2*alpha*h_to_c_0_1
67646  h_to_c_2_2 = +2*alpha*h_to_c_1_1
67647  h_to_c_0_3 = -1*h_to_c_1_2
67648  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
67649  h_to_c_2_3 = +2*alpha*h_to_c_1_2
67650  h_to_c_3_3 = +2*alpha*h_to_c_2_2
67651  h_to_c_0_4 = -1*h_to_c_1_3
67652  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
67653  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
67654  h_to_c_3_4 = +2*alpha*h_to_c_2_3
67655  h_to_c_4_4 = +2*alpha*h_to_c_3_3
67656  h_to_c_0_5 = -1*h_to_c_1_4
67657  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
67658  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
67659  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
67660  h_to_c_4_5 = +2*alpha*h_to_c_3_4
67661  h_to_c_5_5 = +2*alpha*h_to_c_4_4
67662  h_to_c_0_6 = -1*h_to_c_1_5
67663  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
67664  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
67665  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
67666  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
67667  h_to_c_5_6 = +2*alpha*h_to_c_4_5
67668  h_to_c_6_6 = +2*alpha*h_to_c_5_5
67669 
67670  exp_drsq = exp(-alpha*dr*dr)
67671  exp_2drsq = exp_drsq*exp_drsq
67672 
67673  rr1_delta = (ra - rb)/dr
67674 
67675  rr1_l = ceiling(-r_c(1) + rr1_delta)
67676  rr1_r = floor(r_c(1) + rr1_delta)
67677 
67678  r1 = rr1_l*dr
67679 
67680  alpha_e = zeta*zetb/(zeta + zetb)
67681 
67682  DO rr1 = rr1_l, rr1_r
67683  s_r_t_0 = 0.0_dp
67684  s_r_t2_0 = 0.0_dp
67685  s_r_t_1 = 0.0_dp
67686  s_r_t2_1 = 0.0_dp
67687  s_r_t_2 = 0.0_dp
67688  s_r_t2_2 = 0.0_dp
67689  s_r_t_3 = 0.0_dp
67690  s_r_t2_3 = 0.0_dp
67691  s_r_t_4 = 0.0_dp
67692  s_r_t2_4 = 0.0_dp
67693  s_r_t_5 = 0.0_dp
67694  s_r_t2_5 = 0.0_dp
67695  s_r_t_6 = 0.0_dp
67696  s_r_t2_6 = 0.0_dp
67697  r_tmp = r_offset + r1*zeta/(zeta + zetb)
67698  rr2_delta = -r_tmp/dr
67699 
67700  rr2_l = ceiling(-r_c(2) + rr2_delta)
67701  rr2_r = floor(r_c(2) + rr2_delta)
67702 
67703  r = r_tmp + (rr2_l)*dr
67704 
67705  exp2_2rdr = exp(-2*alpha*r*dr)
67706  exp2_rsq = exp(-alpha*r*r)
67707 
67708  DO rr2 = rr2_l, rr2_r
67709  r_pow_t = 1.0_dp
67710  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
67711  r_pow_t = r_pow_t*r
67712  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
67713  r_pow_t = r_pow_t*r
67714  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
67715  r_pow_t = r_pow_t*r
67716  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
67717  r_pow_t = r_pow_t*r
67718  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
67719  r_pow_t = r_pow_t*r
67720  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
67721  r_pow_t = r_pow_t*r
67722  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
67723 
67724  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
67725  exp2_2rdr = exp2_2rdr*exp_2drsq
67726  r = r + dr
67727  END DO
67728 
67729  ! C --> H
67730  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
67731  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
67732  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
67733  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
67734  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
67735  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
67736  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
67737  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
67738  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
67739  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
67740  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
67741  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
67742  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
67743  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
67744  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
67745  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
67746  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
67747  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
67748  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
67749  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
67750  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
67751  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
67752  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
67753  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
67754  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
67755  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
67756  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
67757  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
67758 
67759  ! H --> HH
67760  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
67761 
67762  c1 = 1.0_dp/(zeta + zetb)
67763  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
67764  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
67765 
67766  e_0_1_0 = zeta*( &
67767  +c2*e_0_0_0&
67768 
67769  )
67770  e_0_0_1 = zetb*( &
67771  +c3*e_0_0_0&
67772 
67773  )
67774  e_1_1_0 = zeta*( c1*e_0_0_0 &
67775 
67776 
67777  )
67778  e_1_0_1 = zetb*( c1*e_0_0_0 &
67779 
67780 
67781  )
67782  e_0_1_1 = zetb*( &
67783  +c3*e_0_1_0&
67784  +2*e_1_1_0 &
67785  )
67786  e_1_1_1 = zetb*( c1*e_0_1_0 &
67787  +c3*e_1_1_0&
67788 
67789  )
67790  e_2_1_1 = zetb*( c1*e_1_1_0 &
67791 
67792 
67793  )
67794  e_0_1_1 = zeta*( &
67795  +c2*e_0_0_1&
67796  +2*e_1_0_1 &
67797  )
67798  e_0_0_2 = zetb*( &
67799  +c3*e_0_0_1&
67800  +2*e_1_0_1 &
67801  -2*e_0_0_0)
67802  e_1_1_1 = zeta*( c1*e_0_0_1 &
67803  +c2*e_1_0_1&
67804 
67805  )
67806  e_1_0_2 = zetb*( c1*e_0_0_1 &
67807  +c3*e_1_0_1&
67808 
67809  )
67810  e_2_1_1 = zeta*( c1*e_1_0_1 &
67811 
67812 
67813  )
67814  e_2_0_2 = zetb*( c1*e_1_0_1 &
67815 
67816 
67817  )
67818  e_0_1_2 = zetb*( &
67819  +c3*e_0_1_1&
67820  +2*e_1_1_1 &
67821  -2*e_0_1_0)
67822  e_1_1_2 = zetb*( c1*e_0_1_1 &
67823  +c3*e_1_1_1&
67824  +4*e_2_1_1 &
67825  -2*e_1_1_0)
67826  e_2_1_2 = zetb*( c1*e_1_1_1 &
67827  +c3*e_2_1_1&
67828 
67829  )
67830  e_3_1_2 = zetb*( c1*e_2_1_1 &
67831 
67832 
67833  )
67834  e_0_1_2 = zeta*( &
67835  +c2*e_0_0_2&
67836  +2*e_1_0_2 &
67837  )
67838  e_1_1_2 = zeta*( c1*e_0_0_2 &
67839  +c2*e_1_0_2&
67840  +4*e_2_0_2 &
67841  )
67842  e_2_1_2 = zeta*( c1*e_1_0_2 &
67843  +c2*e_2_0_2&
67844 
67845  )
67846  e_3_1_2 = zeta*( c1*e_2_0_2 &
67847 
67848 
67849  )
67850 
67851  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
67852  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
67853  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
67854  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
67855  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
67856  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
67857  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
67858  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
67859  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
67860  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
67861  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
67862  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
67863  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
67864  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
67865  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
67866  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
67867  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
67868  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
67869  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
67870  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
67871  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
67872  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
67873  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
67874  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
67875  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
67876  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
67877  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
67878  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
67879  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
67880  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
67881  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
67882  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
67883  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
67884  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
67885  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
67886  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
67887  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
67888  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
67889  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
67890  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
67891  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
67892  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
67893  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
67894  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
67895  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
67896  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
67897  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
67898  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
67899  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
67900  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
67901  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
67902  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
67903  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
67904  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
67905  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
67906  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
67907  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
67908  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
67909  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
67910  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
67911  r1 = r1 + dr
67912  END DO
67913 
67914  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
67915  END SUBROUTINE
67916  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_2_4_exp_1 ( &
67917  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
67918  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
67919  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
67920  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
67921  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
67922  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
67923  r_pow_t, r_tmp, rr1_delta, rr2_delta
67924 
67925  REAL(kind=dp) :: c1, c2, c3
67926  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
67927  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
67928  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
67929  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
67930  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
67931  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
67932  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
67933  & e_1_1_2, e_2_1_2, e_3_1_2
67934 
67935  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
67936 
67937  dr = lgth
67938  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
67939 
67940  s_r(:, :, :) = 0.0_dp
67941 
67942  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
67943 
67944  h_to_c_0_0 = sqrt(alpha/pi)
67945 
67946  h_to_c_0_1 = 0.0_dp
67947  h_to_c_1_1 = +2*alpha*h_to_c_0_0
67948  h_to_c_0_2 = -1*h_to_c_1_1
67949  h_to_c_1_2 = +2*alpha*h_to_c_0_1
67950  h_to_c_2_2 = +2*alpha*h_to_c_1_1
67951  h_to_c_0_3 = -1*h_to_c_1_2
67952  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
67953  h_to_c_2_3 = +2*alpha*h_to_c_1_2
67954  h_to_c_3_3 = +2*alpha*h_to_c_2_2
67955  h_to_c_0_4 = -1*h_to_c_1_3
67956  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
67957  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
67958  h_to_c_3_4 = +2*alpha*h_to_c_2_3
67959  h_to_c_4_4 = +2*alpha*h_to_c_3_3
67960  h_to_c_0_5 = -1*h_to_c_1_4
67961  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
67962  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
67963  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
67964  h_to_c_4_5 = +2*alpha*h_to_c_3_4
67965  h_to_c_5_5 = +2*alpha*h_to_c_4_4
67966  h_to_c_0_6 = -1*h_to_c_1_5
67967  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
67968  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
67969  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
67970  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
67971  h_to_c_5_6 = +2*alpha*h_to_c_4_5
67972  h_to_c_6_6 = +2*alpha*h_to_c_5_5
67973  h_to_c_0_7 = -1*h_to_c_1_6
67974  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
67975  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
67976  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
67977  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
67978  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
67979  h_to_c_6_7 = +2*alpha*h_to_c_5_6
67980  h_to_c_7_7 = +2*alpha*h_to_c_6_6
67981 
67982  exp_drsq = exp(-alpha*dr*dr)
67983  exp_2drsq = exp_drsq*exp_drsq
67984 
67985  rr1_delta = (ra - rb)/dr
67986 
67987  rr1_l = ceiling(-r_c(1) + rr1_delta)
67988  rr1_r = floor(r_c(1) + rr1_delta)
67989 
67990  r1 = rr1_l*dr
67991 
67992  alpha_e = zeta*zetb/(zeta + zetb)
67993 
67994  DO rr1 = rr1_l, rr1_r
67995  s_r_t_0 = 0.0_dp
67996  s_r_t2_0 = 0.0_dp
67997  s_r_t_1 = 0.0_dp
67998  s_r_t2_1 = 0.0_dp
67999  s_r_t_2 = 0.0_dp
68000  s_r_t2_2 = 0.0_dp
68001  s_r_t_3 = 0.0_dp
68002  s_r_t2_3 = 0.0_dp
68003  s_r_t_4 = 0.0_dp
68004  s_r_t2_4 = 0.0_dp
68005  s_r_t_5 = 0.0_dp
68006  s_r_t2_5 = 0.0_dp
68007  s_r_t_6 = 0.0_dp
68008  s_r_t2_6 = 0.0_dp
68009  s_r_t_7 = 0.0_dp
68010  s_r_t2_7 = 0.0_dp
68011  r_tmp = r_offset + r1*zeta/(zeta + zetb)
68012  rr2_delta = -r_tmp/dr
68013 
68014  rr2_l = ceiling(-r_c(2) + rr2_delta)
68015  rr2_r = floor(r_c(2) + rr2_delta)
68016 
68017  r = r_tmp + (rr2_l)*dr
68018 
68019  exp2_2rdr = exp(-2*alpha*r*dr)
68020  exp2_rsq = exp(-alpha*r*r)
68021 
68022  DO rr2 = rr2_l, rr2_r
68023  r_pow_t = 1.0_dp
68024  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
68025  r_pow_t = r_pow_t*r
68026  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
68027  r_pow_t = r_pow_t*r
68028  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
68029  r_pow_t = r_pow_t*r
68030  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
68031  r_pow_t = r_pow_t*r
68032  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
68033  r_pow_t = r_pow_t*r
68034  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
68035  r_pow_t = r_pow_t*r
68036  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
68037  r_pow_t = r_pow_t*r
68038  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
68039 
68040  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
68041  exp2_2rdr = exp2_2rdr*exp_2drsq
68042  r = r + dr
68043  END DO
68044 
68045  ! C --> H
68046  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
68047  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
68048  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
68049  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
68050  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
68051  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
68052  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
68053  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
68054  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
68055  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
68056  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
68057  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
68058  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
68059  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
68060  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
68061  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
68062  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
68063  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
68064  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
68065  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
68066  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
68067  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
68068  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
68069  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
68070  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
68071  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
68072  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
68073  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
68074  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
68075  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
68076  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
68077  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
68078  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
68079  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
68080  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
68081  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
68082 
68083  ! H --> HH
68084  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
68085 
68086  c1 = 1.0_dp/(zeta + zetb)
68087  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
68088  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
68089 
68090  e_0_1_0 = zeta*( &
68091  +c2*e_0_0_0&
68092 
68093  )
68094  e_0_0_1 = zetb*( &
68095  +c3*e_0_0_0&
68096 
68097  )
68098  e_1_1_0 = zeta*( c1*e_0_0_0 &
68099 
68100 
68101  )
68102  e_1_0_1 = zetb*( c1*e_0_0_0 &
68103 
68104 
68105  )
68106  e_0_1_1 = zetb*( &
68107  +c3*e_0_1_0&
68108  +2*e_1_1_0 &
68109  )
68110  e_1_1_1 = zetb*( c1*e_0_1_0 &
68111  +c3*e_1_1_0&
68112 
68113  )
68114  e_2_1_1 = zetb*( c1*e_1_1_0 &
68115 
68116 
68117  )
68118  e_0_1_1 = zeta*( &
68119  +c2*e_0_0_1&
68120  +2*e_1_0_1 &
68121  )
68122  e_0_0_2 = zetb*( &
68123  +c3*e_0_0_1&
68124  +2*e_1_0_1 &
68125  -2*e_0_0_0)
68126  e_1_1_1 = zeta*( c1*e_0_0_1 &
68127  +c2*e_1_0_1&
68128 
68129  )
68130  e_1_0_2 = zetb*( c1*e_0_0_1 &
68131  +c3*e_1_0_1&
68132 
68133  )
68134  e_2_1_1 = zeta*( c1*e_1_0_1 &
68135 
68136 
68137  )
68138  e_2_0_2 = zetb*( c1*e_1_0_1 &
68139 
68140 
68141  )
68142  e_0_1_2 = zetb*( &
68143  +c3*e_0_1_1&
68144  +2*e_1_1_1 &
68145  -2*e_0_1_0)
68146  e_1_1_2 = zetb*( c1*e_0_1_1 &
68147  +c3*e_1_1_1&
68148  +4*e_2_1_1 &
68149  -2*e_1_1_0)
68150  e_2_1_2 = zetb*( c1*e_1_1_1 &
68151  +c3*e_2_1_1&
68152 
68153  )
68154  e_3_1_2 = zetb*( c1*e_2_1_1 &
68155 
68156 
68157  )
68158  e_0_1_2 = zeta*( &
68159  +c2*e_0_0_2&
68160  +2*e_1_0_2 &
68161  )
68162  e_1_1_2 = zeta*( c1*e_0_0_2 &
68163  +c2*e_1_0_2&
68164  +4*e_2_0_2 &
68165  )
68166  e_2_1_2 = zeta*( c1*e_1_0_2 &
68167  +c2*e_2_0_2&
68168 
68169  )
68170  e_3_1_2 = zeta*( c1*e_2_0_2 &
68171 
68172 
68173  )
68174 
68175  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
68176  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
68177  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
68178  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
68179  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
68180  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
68181  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
68182  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
68183  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
68184  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
68185  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
68186  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
68187  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
68188  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
68189  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
68190  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
68191  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
68192  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
68193  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
68194  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
68195  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
68196  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
68197  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
68198  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
68199  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
68200  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
68201  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
68202  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
68203  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
68204  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
68205  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
68206  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
68207  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
68208  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
68209  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
68210  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
68211  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
68212  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
68213  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
68214  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
68215  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
68216  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
68217  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
68218  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
68219  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
68220  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
68221  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
68222  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
68223  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
68224  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
68225  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
68226  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
68227  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
68228  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
68229  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
68230  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
68231  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
68232  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
68233  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
68234  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
68235  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
68236  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
68237  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
68238  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
68239  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
68240  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
68241  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
68242  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
68243  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
68244  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
68245  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
68246  s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
68247  s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
68248  s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
68249  s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
68250  r1 = r1 + dr
68251  END DO
68252 
68253  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
68254  END SUBROUTINE
68255  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_3_0_exp_1 ( &
68256  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
68257  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
68258  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
68259  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
68260  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
68261  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
68262  r_pow_t, r_tmp, rr1_delta, rr2_delta
68263 
68264  REAL(kind=dp) :: c1, c2, c3
68265  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
68266  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
68267  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
68268  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
68269  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
68270  & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3
68271 
68272  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
68273 
68274  dr = lgth
68275  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
68276 
68277  s_r(:, :, :) = 0.0_dp
68278 
68279  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
68280 
68281  h_to_c_0_0 = sqrt(alpha/pi)
68282 
68283  h_to_c_0_1 = 0.0_dp
68284  h_to_c_1_1 = +2*alpha*h_to_c_0_0
68285  h_to_c_0_2 = -1*h_to_c_1_1
68286  h_to_c_1_2 = +2*alpha*h_to_c_0_1
68287  h_to_c_2_2 = +2*alpha*h_to_c_1_1
68288  h_to_c_0_3 = -1*h_to_c_1_2
68289  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
68290  h_to_c_2_3 = +2*alpha*h_to_c_1_2
68291  h_to_c_3_3 = +2*alpha*h_to_c_2_2
68292  h_to_c_0_4 = -1*h_to_c_1_3
68293  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
68294  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
68295  h_to_c_3_4 = +2*alpha*h_to_c_2_3
68296  h_to_c_4_4 = +2*alpha*h_to_c_3_3
68297 
68298  exp_drsq = exp(-alpha*dr*dr)
68299  exp_2drsq = exp_drsq*exp_drsq
68300 
68301  rr1_delta = (ra - rb)/dr
68302 
68303  rr1_l = ceiling(-r_c(1) + rr1_delta)
68304  rr1_r = floor(r_c(1) + rr1_delta)
68305 
68306  r1 = rr1_l*dr
68307 
68308  alpha_e = zeta*zetb/(zeta + zetb)
68309 
68310  DO rr1 = rr1_l, rr1_r
68311  s_r_t_0 = 0.0_dp
68312  s_r_t2_0 = 0.0_dp
68313  s_r_t_1 = 0.0_dp
68314  s_r_t2_1 = 0.0_dp
68315  s_r_t_2 = 0.0_dp
68316  s_r_t2_2 = 0.0_dp
68317  s_r_t_3 = 0.0_dp
68318  s_r_t2_3 = 0.0_dp
68319  s_r_t_4 = 0.0_dp
68320  s_r_t2_4 = 0.0_dp
68321  r_tmp = r_offset + r1*zeta/(zeta + zetb)
68322  rr2_delta = -r_tmp/dr
68323 
68324  rr2_l = ceiling(-r_c(2) + rr2_delta)
68325  rr2_r = floor(r_c(2) + rr2_delta)
68326 
68327  r = r_tmp + (rr2_l)*dr
68328 
68329  exp2_2rdr = exp(-2*alpha*r*dr)
68330  exp2_rsq = exp(-alpha*r*r)
68331 
68332  DO rr2 = rr2_l, rr2_r
68333  r_pow_t = 1.0_dp
68334  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
68335  r_pow_t = r_pow_t*r
68336  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
68337  r_pow_t = r_pow_t*r
68338  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
68339  r_pow_t = r_pow_t*r
68340  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
68341  r_pow_t = r_pow_t*r
68342  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
68343 
68344  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
68345  exp2_2rdr = exp2_2rdr*exp_2drsq
68346  r = r + dr
68347  END DO
68348 
68349  ! C --> H
68350  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
68351  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
68352  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
68353  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
68354  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
68355  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
68356  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
68357  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
68358  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
68359  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
68360  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
68361  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
68362  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
68363  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
68364  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
68365 
68366  ! H --> HH
68367  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
68368 
68369  c1 = 1.0_dp/(zeta + zetb)
68370  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
68371  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
68372 
68373  e_0_1_0 = zeta*( &
68374  +c2*e_0_0_0&
68375 
68376  )
68377  e_0_0_1 = zetb*( &
68378  +c3*e_0_0_0&
68379 
68380  )
68381  e_1_1_0 = zeta*( c1*e_0_0_0 &
68382 
68383 
68384  )
68385  e_1_0_1 = zetb*( c1*e_0_0_0 &
68386 
68387 
68388  )
68389  e_0_1_1 = zetb*( &
68390  +c3*e_0_1_0&
68391  +2*e_1_1_0 &
68392  )
68393  e_1_1_1 = zetb*( c1*e_0_1_0 &
68394  +c3*e_1_1_0&
68395 
68396  )
68397  e_2_1_1 = zetb*( c1*e_1_1_0 &
68398 
68399 
68400  )
68401  e_0_1_1 = zeta*( &
68402  +c2*e_0_0_1&
68403  +2*e_1_0_1 &
68404  )
68405  e_0_0_2 = zetb*( &
68406  +c3*e_0_0_1&
68407  +2*e_1_0_1 &
68408  -2*e_0_0_0)
68409  e_1_1_1 = zeta*( c1*e_0_0_1 &
68410  +c2*e_1_0_1&
68411 
68412  )
68413  e_1_0_2 = zetb*( c1*e_0_0_1 &
68414  +c3*e_1_0_1&
68415 
68416  )
68417  e_2_1_1 = zeta*( c1*e_1_0_1 &
68418 
68419 
68420  )
68421  e_2_0_2 = zetb*( c1*e_1_0_1 &
68422 
68423 
68424  )
68425  e_0_1_2 = zetb*( &
68426  +c3*e_0_1_1&
68427  +2*e_1_1_1 &
68428  -2*e_0_1_0)
68429  e_1_1_2 = zetb*( c1*e_0_1_1 &
68430  +c3*e_1_1_1&
68431  +4*e_2_1_1 &
68432  -2*e_1_1_0)
68433  e_2_1_2 = zetb*( c1*e_1_1_1 &
68434  +c3*e_2_1_1&
68435 
68436  )
68437  e_3_1_2 = zetb*( c1*e_2_1_1 &
68438 
68439 
68440  )
68441  e_0_1_2 = zeta*( &
68442  +c2*e_0_0_2&
68443  +2*e_1_0_2 &
68444  )
68445  e_0_0_3 = zetb*( &
68446  +c3*e_0_0_2&
68447  +2*e_1_0_2 &
68448  -4*e_0_0_1)
68449  e_1_1_2 = zeta*( c1*e_0_0_2 &
68450  +c2*e_1_0_2&
68451  +4*e_2_0_2 &
68452  )
68453  e_1_0_3 = zetb*( c1*e_0_0_2 &
68454  +c3*e_1_0_2&
68455  +4*e_2_0_2 &
68456  -4*e_1_0_1)
68457  e_2_1_2 = zeta*( c1*e_1_0_2 &
68458  +c2*e_2_0_2&
68459 
68460  )
68461  e_2_0_3 = zetb*( c1*e_1_0_2 &
68462  +c3*e_2_0_2&
68463 
68464  )
68465  e_3_1_2 = zeta*( c1*e_2_0_2 &
68466 
68467 
68468  )
68469  e_3_0_3 = zetb*( c1*e_2_0_2 &
68470 
68471 
68472  )
68473  e_0_1_3 = zetb*( &
68474  +c3*e_0_1_2&
68475  +2*e_1_1_2 &
68476  -4*e_0_1_1)
68477  e_1_1_3 = zetb*( c1*e_0_1_2 &
68478  +c3*e_1_1_2&
68479  +4*e_2_1_2 &
68480  -4*e_1_1_1)
68481  e_2_1_3 = zetb*( c1*e_1_1_2 &
68482  +c3*e_2_1_2&
68483  +6*e_3_1_2 &
68484  -4*e_2_1_1)
68485  e_3_1_3 = zetb*( c1*e_2_1_2 &
68486  +c3*e_3_1_2&
68487 
68488  )
68489  e_4_1_3 = zetb*( c1*e_3_1_2 &
68490 
68491 
68492  )
68493  e_0_1_3 = zeta*( &
68494  +c2*e_0_0_3&
68495  +2*e_1_0_3 &
68496  )
68497  e_1_1_3 = zeta*( c1*e_0_0_3 &
68498  +c2*e_1_0_3&
68499  +4*e_2_0_3 &
68500  )
68501  e_2_1_3 = zeta*( c1*e_1_0_3 &
68502  +c2*e_2_0_3&
68503  +6*e_3_0_3 &
68504  )
68505  e_3_1_3 = zeta*( c1*e_2_0_3 &
68506  +c2*e_3_0_3&
68507 
68508  )
68509  e_4_1_3 = zeta*( c1*e_3_0_3 &
68510 
68511 
68512  )
68513 
68514  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
68515  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
68516  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
68517  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
68518  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
68519  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
68520  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
68521  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
68522  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
68523  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
68524  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
68525  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
68526  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
68527  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
68528  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
68529  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
68530  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
68531  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
68532  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
68533  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
68534  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
68535  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
68536  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
68537  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
68538  r1 = r1 + dr
68539  END DO
68540 
68541  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
68542  END SUBROUTINE
68543  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_3_1_exp_1 ( &
68544  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
68545  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
68546  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
68547  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
68548  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
68549  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
68550  r_pow_t, r_tmp, rr1_delta, rr2_delta
68551 
68552  REAL(kind=dp) :: c1, c2, c3
68553  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
68554  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
68555  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
68556  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
68557  & h_to_c_4_5, h_to_c_5_5
68558  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
68559  & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3
68560 
68561  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
68562 
68563  dr = lgth
68564  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
68565 
68566  s_r(:, :, :) = 0.0_dp
68567 
68568  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
68569 
68570  h_to_c_0_0 = sqrt(alpha/pi)
68571 
68572  h_to_c_0_1 = 0.0_dp
68573  h_to_c_1_1 = +2*alpha*h_to_c_0_0
68574  h_to_c_0_2 = -1*h_to_c_1_1
68575  h_to_c_1_2 = +2*alpha*h_to_c_0_1
68576  h_to_c_2_2 = +2*alpha*h_to_c_1_1
68577  h_to_c_0_3 = -1*h_to_c_1_2
68578  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
68579  h_to_c_2_3 = +2*alpha*h_to_c_1_2
68580  h_to_c_3_3 = +2*alpha*h_to_c_2_2
68581  h_to_c_0_4 = -1*h_to_c_1_3
68582  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
68583  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
68584  h_to_c_3_4 = +2*alpha*h_to_c_2_3
68585  h_to_c_4_4 = +2*alpha*h_to_c_3_3
68586  h_to_c_0_5 = -1*h_to_c_1_4
68587  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
68588  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
68589  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
68590  h_to_c_4_5 = +2*alpha*h_to_c_3_4
68591  h_to_c_5_5 = +2*alpha*h_to_c_4_4
68592 
68593  exp_drsq = exp(-alpha*dr*dr)
68594  exp_2drsq = exp_drsq*exp_drsq
68595 
68596  rr1_delta = (ra - rb)/dr
68597 
68598  rr1_l = ceiling(-r_c(1) + rr1_delta)
68599  rr1_r = floor(r_c(1) + rr1_delta)
68600 
68601  r1 = rr1_l*dr
68602 
68603  alpha_e = zeta*zetb/(zeta + zetb)
68604 
68605  DO rr1 = rr1_l, rr1_r
68606  s_r_t_0 = 0.0_dp
68607  s_r_t2_0 = 0.0_dp
68608  s_r_t_1 = 0.0_dp
68609  s_r_t2_1 = 0.0_dp
68610  s_r_t_2 = 0.0_dp
68611  s_r_t2_2 = 0.0_dp
68612  s_r_t_3 = 0.0_dp
68613  s_r_t2_3 = 0.0_dp
68614  s_r_t_4 = 0.0_dp
68615  s_r_t2_4 = 0.0_dp
68616  s_r_t_5 = 0.0_dp
68617  s_r_t2_5 = 0.0_dp
68618  r_tmp = r_offset + r1*zeta/(zeta + zetb)
68619  rr2_delta = -r_tmp/dr
68620 
68621  rr2_l = ceiling(-r_c(2) + rr2_delta)
68622  rr2_r = floor(r_c(2) + rr2_delta)
68623 
68624  r = r_tmp + (rr2_l)*dr
68625 
68626  exp2_2rdr = exp(-2*alpha*r*dr)
68627  exp2_rsq = exp(-alpha*r*r)
68628 
68629  DO rr2 = rr2_l, rr2_r
68630  r_pow_t = 1.0_dp
68631  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
68632  r_pow_t = r_pow_t*r
68633  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
68634  r_pow_t = r_pow_t*r
68635  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
68636  r_pow_t = r_pow_t*r
68637  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
68638  r_pow_t = r_pow_t*r
68639  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
68640  r_pow_t = r_pow_t*r
68641  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
68642 
68643  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
68644  exp2_2rdr = exp2_2rdr*exp_2drsq
68645  r = r + dr
68646  END DO
68647 
68648  ! C --> H
68649  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
68650  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
68651  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
68652  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
68653  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
68654  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
68655  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
68656  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
68657  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
68658  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
68659  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
68660  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
68661  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
68662  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
68663  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
68664  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
68665  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
68666  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
68667  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
68668  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
68669  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
68670 
68671  ! H --> HH
68672  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
68673 
68674  c1 = 1.0_dp/(zeta + zetb)
68675  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
68676  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
68677 
68678  e_0_1_0 = zeta*( &
68679  +c2*e_0_0_0&
68680 
68681  )
68682  e_0_0_1 = zetb*( &
68683  +c3*e_0_0_0&
68684 
68685  )
68686  e_1_1_0 = zeta*( c1*e_0_0_0 &
68687 
68688 
68689  )
68690  e_1_0_1 = zetb*( c1*e_0_0_0 &
68691 
68692 
68693  )
68694  e_0_1_1 = zetb*( &
68695  +c3*e_0_1_0&
68696  +2*e_1_1_0 &
68697  )
68698  e_1_1_1 = zetb*( c1*e_0_1_0 &
68699  +c3*e_1_1_0&
68700 
68701  )
68702  e_2_1_1 = zetb*( c1*e_1_1_0 &
68703 
68704 
68705  )
68706  e_0_1_1 = zeta*( &
68707  +c2*e_0_0_1&
68708  +2*e_1_0_1 &
68709  )
68710  e_0_0_2 = zetb*( &
68711  +c3*e_0_0_1&
68712  +2*e_1_0_1 &
68713  -2*e_0_0_0)
68714  e_1_1_1 = zeta*( c1*e_0_0_1 &
68715  +c2*e_1_0_1&
68716 
68717  )
68718  e_1_0_2 = zetb*( c1*e_0_0_1 &
68719  +c3*e_1_0_1&
68720 
68721  )
68722  e_2_1_1 = zeta*( c1*e_1_0_1 &
68723 
68724 
68725  )
68726  e_2_0_2 = zetb*( c1*e_1_0_1 &
68727 
68728 
68729  )
68730  e_0_1_2 = zetb*( &
68731  +c3*e_0_1_1&
68732  +2*e_1_1_1 &
68733  -2*e_0_1_0)
68734  e_1_1_2 = zetb*( c1*e_0_1_1 &
68735  +c3*e_1_1_1&
68736  +4*e_2_1_1 &
68737  -2*e_1_1_0)
68738  e_2_1_2 = zetb*( c1*e_1_1_1 &
68739  +c3*e_2_1_1&
68740 
68741  )
68742  e_3_1_2 = zetb*( c1*e_2_1_1 &
68743 
68744 
68745  )
68746  e_0_1_2 = zeta*( &
68747  +c2*e_0_0_2&
68748  +2*e_1_0_2 &
68749  )
68750  e_0_0_3 = zetb*( &
68751  +c3*e_0_0_2&
68752  +2*e_1_0_2 &
68753  -4*e_0_0_1)
68754  e_1_1_2 = zeta*( c1*e_0_0_2 &
68755  +c2*e_1_0_2&
68756  +4*e_2_0_2 &
68757  )
68758  e_1_0_3 = zetb*( c1*e_0_0_2 &
68759  +c3*e_1_0_2&
68760  +4*e_2_0_2 &
68761  -4*e_1_0_1)
68762  e_2_1_2 = zeta*( c1*e_1_0_2 &
68763  +c2*e_2_0_2&
68764 
68765  )
68766  e_2_0_3 = zetb*( c1*e_1_0_2 &
68767  +c3*e_2_0_2&
68768 
68769  )
68770  e_3_1_2 = zeta*( c1*e_2_0_2 &
68771 
68772 
68773  )
68774  e_3_0_3 = zetb*( c1*e_2_0_2 &
68775 
68776 
68777  )
68778  e_0_1_3 = zetb*( &
68779  +c3*e_0_1_2&
68780  +2*e_1_1_2 &
68781  -4*e_0_1_1)
68782  e_1_1_3 = zetb*( c1*e_0_1_2 &
68783  +c3*e_1_1_2&
68784  +4*e_2_1_2 &
68785  -4*e_1_1_1)
68786  e_2_1_3 = zetb*( c1*e_1_1_2 &
68787  +c3*e_2_1_2&
68788  +6*e_3_1_2 &
68789  -4*e_2_1_1)
68790  e_3_1_3 = zetb*( c1*e_2_1_2 &
68791  +c3*e_3_1_2&
68792 
68793  )
68794  e_4_1_3 = zetb*( c1*e_3_1_2 &
68795 
68796 
68797  )
68798  e_0_1_3 = zeta*( &
68799  +c2*e_0_0_3&
68800  +2*e_1_0_3 &
68801  )
68802  e_1_1_3 = zeta*( c1*e_0_0_3 &
68803  +c2*e_1_0_3&
68804  +4*e_2_0_3 &
68805  )
68806  e_2_1_3 = zeta*( c1*e_1_0_3 &
68807  +c2*e_2_0_3&
68808  +6*e_3_0_3 &
68809  )
68810  e_3_1_3 = zeta*( c1*e_2_0_3 &
68811  +c2*e_3_0_3&
68812 
68813  )
68814  e_4_1_3 = zeta*( c1*e_3_0_3 &
68815 
68816 
68817  )
68818 
68819  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
68820  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
68821  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
68822  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
68823  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
68824  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
68825  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
68826  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
68827  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
68828  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
68829  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
68830  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
68831  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
68832  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
68833  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
68834  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
68835  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
68836  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
68837  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
68838  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
68839  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
68840  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
68841  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
68842  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
68843  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
68844  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
68845  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
68846  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
68847  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
68848  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
68849  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
68850  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
68851  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
68852  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
68853  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
68854  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
68855  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
68856  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
68857  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
68858  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
68859  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
68860  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
68861  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
68862  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
68863  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
68864  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
68865  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
68866  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
68867  r1 = r1 + dr
68868  END DO
68869 
68870  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
68871  END SUBROUTINE
68872  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_3_2_exp_1 ( &
68873  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
68874  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
68875  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
68876  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
68877  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
68878  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
68879  r_pow_t, r_tmp, rr1_delta, rr2_delta
68880 
68881  REAL(kind=dp) :: c1, c2, c3
68882  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
68883  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
68884  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
68885  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
68886  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
68887  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
68888  & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3
68889 
68890  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
68891 
68892  dr = lgth
68893  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
68894 
68895  s_r(:, :, :) = 0.0_dp
68896 
68897  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
68898 
68899  h_to_c_0_0 = sqrt(alpha/pi)
68900 
68901  h_to_c_0_1 = 0.0_dp
68902  h_to_c_1_1 = +2*alpha*h_to_c_0_0
68903  h_to_c_0_2 = -1*h_to_c_1_1
68904  h_to_c_1_2 = +2*alpha*h_to_c_0_1
68905  h_to_c_2_2 = +2*alpha*h_to_c_1_1
68906  h_to_c_0_3 = -1*h_to_c_1_2
68907  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
68908  h_to_c_2_3 = +2*alpha*h_to_c_1_2
68909  h_to_c_3_3 = +2*alpha*h_to_c_2_2
68910  h_to_c_0_4 = -1*h_to_c_1_3
68911  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
68912  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
68913  h_to_c_3_4 = +2*alpha*h_to_c_2_3
68914  h_to_c_4_4 = +2*alpha*h_to_c_3_3
68915  h_to_c_0_5 = -1*h_to_c_1_4
68916  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
68917  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
68918  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
68919  h_to_c_4_5 = +2*alpha*h_to_c_3_4
68920  h_to_c_5_5 = +2*alpha*h_to_c_4_4
68921  h_to_c_0_6 = -1*h_to_c_1_5
68922  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
68923  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
68924  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
68925  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
68926  h_to_c_5_6 = +2*alpha*h_to_c_4_5
68927  h_to_c_6_6 = +2*alpha*h_to_c_5_5
68928 
68929  exp_drsq = exp(-alpha*dr*dr)
68930  exp_2drsq = exp_drsq*exp_drsq
68931 
68932  rr1_delta = (ra - rb)/dr
68933 
68934  rr1_l = ceiling(-r_c(1) + rr1_delta)
68935  rr1_r = floor(r_c(1) + rr1_delta)
68936 
68937  r1 = rr1_l*dr
68938 
68939  alpha_e = zeta*zetb/(zeta + zetb)
68940 
68941  DO rr1 = rr1_l, rr1_r
68942  s_r_t_0 = 0.0_dp
68943  s_r_t2_0 = 0.0_dp
68944  s_r_t_1 = 0.0_dp
68945  s_r_t2_1 = 0.0_dp
68946  s_r_t_2 = 0.0_dp
68947  s_r_t2_2 = 0.0_dp
68948  s_r_t_3 = 0.0_dp
68949  s_r_t2_3 = 0.0_dp
68950  s_r_t_4 = 0.0_dp
68951  s_r_t2_4 = 0.0_dp
68952  s_r_t_5 = 0.0_dp
68953  s_r_t2_5 = 0.0_dp
68954  s_r_t_6 = 0.0_dp
68955  s_r_t2_6 = 0.0_dp
68956  r_tmp = r_offset + r1*zeta/(zeta + zetb)
68957  rr2_delta = -r_tmp/dr
68958 
68959  rr2_l = ceiling(-r_c(2) + rr2_delta)
68960  rr2_r = floor(r_c(2) + rr2_delta)
68961 
68962  r = r_tmp + (rr2_l)*dr
68963 
68964  exp2_2rdr = exp(-2*alpha*r*dr)
68965  exp2_rsq = exp(-alpha*r*r)
68966 
68967  DO rr2 = rr2_l, rr2_r
68968  r_pow_t = 1.0_dp
68969  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
68970  r_pow_t = r_pow_t*r
68971  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
68972  r_pow_t = r_pow_t*r
68973  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
68974  r_pow_t = r_pow_t*r
68975  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
68976  r_pow_t = r_pow_t*r
68977  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
68978  r_pow_t = r_pow_t*r
68979  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
68980  r_pow_t = r_pow_t*r
68981  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
68982 
68983  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
68984  exp2_2rdr = exp2_2rdr*exp_2drsq
68985  r = r + dr
68986  END DO
68987 
68988  ! C --> H
68989  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
68990  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
68991  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
68992  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
68993  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
68994  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
68995  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
68996  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
68997  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
68998  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
68999  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
69000  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
69001  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
69002  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
69003  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
69004  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
69005  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
69006  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
69007  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
69008  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
69009  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
69010  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
69011  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
69012  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
69013  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
69014  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
69015  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
69016  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
69017 
69018  ! H --> HH
69019  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
69020 
69021  c1 = 1.0_dp/(zeta + zetb)
69022  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
69023  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
69024 
69025  e_0_1_0 = zeta*( &
69026  +c2*e_0_0_0&
69027 
69028  )
69029  e_0_0_1 = zetb*( &
69030  +c3*e_0_0_0&
69031 
69032  )
69033  e_1_1_0 = zeta*( c1*e_0_0_0 &
69034 
69035 
69036  )
69037  e_1_0_1 = zetb*( c1*e_0_0_0 &
69038 
69039 
69040  )
69041  e_0_1_1 = zetb*( &
69042  +c3*e_0_1_0&
69043  +2*e_1_1_0 &
69044  )
69045  e_1_1_1 = zetb*( c1*e_0_1_0 &
69046  +c3*e_1_1_0&
69047 
69048  )
69049  e_2_1_1 = zetb*( c1*e_1_1_0 &
69050 
69051 
69052  )
69053  e_0_1_1 = zeta*( &
69054  +c2*e_0_0_1&
69055  +2*e_1_0_1 &
69056  )
69057  e_0_0_2 = zetb*( &
69058  +c3*e_0_0_1&
69059  +2*e_1_0_1 &
69060  -2*e_0_0_0)
69061  e_1_1_1 = zeta*( c1*e_0_0_1 &
69062  +c2*e_1_0_1&
69063 
69064  )
69065  e_1_0_2 = zetb*( c1*e_0_0_1 &
69066  +c3*e_1_0_1&
69067 
69068  )
69069  e_2_1_1 = zeta*( c1*e_1_0_1 &
69070 
69071 
69072  )
69073  e_2_0_2 = zetb*( c1*e_1_0_1 &
69074 
69075 
69076  )
69077  e_0_1_2 = zetb*( &
69078  +c3*e_0_1_1&
69079  +2*e_1_1_1 &
69080  -2*e_0_1_0)
69081  e_1_1_2 = zetb*( c1*e_0_1_1 &
69082  +c3*e_1_1_1&
69083  +4*e_2_1_1 &
69084  -2*e_1_1_0)
69085  e_2_1_2 = zetb*( c1*e_1_1_1 &
69086  +c3*e_2_1_1&
69087 
69088  )
69089  e_3_1_2 = zetb*( c1*e_2_1_1 &
69090 
69091 
69092  )
69093  e_0_1_2 = zeta*( &
69094  +c2*e_0_0_2&
69095  +2*e_1_0_2 &
69096  )
69097  e_0_0_3 = zetb*( &
69098  +c3*e_0_0_2&
69099  +2*e_1_0_2 &
69100  -4*e_0_0_1)
69101  e_1_1_2 = zeta*( c1*e_0_0_2 &
69102  +c2*e_1_0_2&
69103  +4*e_2_0_2 &
69104  )
69105  e_1_0_3 = zetb*( c1*e_0_0_2 &
69106  +c3*e_1_0_2&
69107  +4*e_2_0_2 &
69108  -4*e_1_0_1)
69109  e_2_1_2 = zeta*( c1*e_1_0_2 &
69110  +c2*e_2_0_2&
69111 
69112  )
69113  e_2_0_3 = zetb*( c1*e_1_0_2 &
69114  +c3*e_2_0_2&
69115 
69116  )
69117  e_3_1_2 = zeta*( c1*e_2_0_2 &
69118 
69119 
69120  )
69121  e_3_0_3 = zetb*( c1*e_2_0_2 &
69122 
69123 
69124  )
69125  e_0_1_3 = zetb*( &
69126  +c3*e_0_1_2&
69127  +2*e_1_1_2 &
69128  -4*e_0_1_1)
69129  e_1_1_3 = zetb*( c1*e_0_1_2 &
69130  +c3*e_1_1_2&
69131  +4*e_2_1_2 &
69132  -4*e_1_1_1)
69133  e_2_1_3 = zetb*( c1*e_1_1_2 &
69134  +c3*e_2_1_2&
69135  +6*e_3_1_2 &
69136  -4*e_2_1_1)
69137  e_3_1_3 = zetb*( c1*e_2_1_2 &
69138  +c3*e_3_1_2&
69139 
69140  )
69141  e_4_1_3 = zetb*( c1*e_3_1_2 &
69142 
69143 
69144  )
69145  e_0_1_3 = zeta*( &
69146  +c2*e_0_0_3&
69147  +2*e_1_0_3 &
69148  )
69149  e_1_1_3 = zeta*( c1*e_0_0_3 &
69150  +c2*e_1_0_3&
69151  +4*e_2_0_3 &
69152  )
69153  e_2_1_3 = zeta*( c1*e_1_0_3 &
69154  +c2*e_2_0_3&
69155  +6*e_3_0_3 &
69156  )
69157  e_3_1_3 = zeta*( c1*e_2_0_3 &
69158  +c2*e_3_0_3&
69159 
69160  )
69161  e_4_1_3 = zeta*( c1*e_3_0_3 &
69162 
69163 
69164  )
69165 
69166  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
69167  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
69168  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
69169  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
69170  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
69171  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
69172  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
69173  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
69174  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
69175  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
69176  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
69177  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
69178  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
69179  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
69180  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
69181  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
69182  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
69183  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
69184  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
69185  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
69186  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
69187  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
69188  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
69189  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
69190  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
69191  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
69192  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
69193  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
69194  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
69195  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
69196  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
69197  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
69198  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
69199  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
69200  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
69201  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
69202  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
69203  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
69204  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
69205  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
69206  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
69207  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
69208  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
69209  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
69210  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
69211  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
69212  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
69213  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
69214  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
69215  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
69216  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
69217  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
69218  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
69219  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
69220  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
69221  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
69222  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
69223  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
69224  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
69225  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
69226  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
69227  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
69228  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
69229  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
69230  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
69231  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
69232  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
69233  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
69234  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
69235  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
69236  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
69237  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
69238  r1 = r1 + dr
69239  END DO
69240 
69241  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
69242  END SUBROUTINE
69243  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_3_3_exp_1 ( &
69244  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
69245  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
69246  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
69247  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
69248  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
69249  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
69250  r_pow_t, r_tmp, rr1_delta, rr2_delta
69251 
69252  REAL(kind=dp) :: c1, c2, c3
69253  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
69254  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
69255  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
69256  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
69257  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
69258  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
69259  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
69260  & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3
69261 
69262  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
69263 
69264  dr = lgth
69265  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
69266 
69267  s_r(:, :, :) = 0.0_dp
69268 
69269  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
69270 
69271  h_to_c_0_0 = sqrt(alpha/pi)
69272 
69273  h_to_c_0_1 = 0.0_dp
69274  h_to_c_1_1 = +2*alpha*h_to_c_0_0
69275  h_to_c_0_2 = -1*h_to_c_1_1
69276  h_to_c_1_2 = +2*alpha*h_to_c_0_1
69277  h_to_c_2_2 = +2*alpha*h_to_c_1_1
69278  h_to_c_0_3 = -1*h_to_c_1_2
69279  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
69280  h_to_c_2_3 = +2*alpha*h_to_c_1_2
69281  h_to_c_3_3 = +2*alpha*h_to_c_2_2
69282  h_to_c_0_4 = -1*h_to_c_1_3
69283  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
69284  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
69285  h_to_c_3_4 = +2*alpha*h_to_c_2_3
69286  h_to_c_4_4 = +2*alpha*h_to_c_3_3
69287  h_to_c_0_5 = -1*h_to_c_1_4
69288  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
69289  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
69290  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
69291  h_to_c_4_5 = +2*alpha*h_to_c_3_4
69292  h_to_c_5_5 = +2*alpha*h_to_c_4_4
69293  h_to_c_0_6 = -1*h_to_c_1_5
69294  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
69295  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
69296  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
69297  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
69298  h_to_c_5_6 = +2*alpha*h_to_c_4_5
69299  h_to_c_6_6 = +2*alpha*h_to_c_5_5
69300  h_to_c_0_7 = -1*h_to_c_1_6
69301  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
69302  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
69303  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
69304  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
69305  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
69306  h_to_c_6_7 = +2*alpha*h_to_c_5_6
69307  h_to_c_7_7 = +2*alpha*h_to_c_6_6
69308 
69309  exp_drsq = exp(-alpha*dr*dr)
69310  exp_2drsq = exp_drsq*exp_drsq
69311 
69312  rr1_delta = (ra - rb)/dr
69313 
69314  rr1_l = ceiling(-r_c(1) + rr1_delta)
69315  rr1_r = floor(r_c(1) + rr1_delta)
69316 
69317  r1 = rr1_l*dr
69318 
69319  alpha_e = zeta*zetb/(zeta + zetb)
69320 
69321  DO rr1 = rr1_l, rr1_r
69322  s_r_t_0 = 0.0_dp
69323  s_r_t2_0 = 0.0_dp
69324  s_r_t_1 = 0.0_dp
69325  s_r_t2_1 = 0.0_dp
69326  s_r_t_2 = 0.0_dp
69327  s_r_t2_2 = 0.0_dp
69328  s_r_t_3 = 0.0_dp
69329  s_r_t2_3 = 0.0_dp
69330  s_r_t_4 = 0.0_dp
69331  s_r_t2_4 = 0.0_dp
69332  s_r_t_5 = 0.0_dp
69333  s_r_t2_5 = 0.0_dp
69334  s_r_t_6 = 0.0_dp
69335  s_r_t2_6 = 0.0_dp
69336  s_r_t_7 = 0.0_dp
69337  s_r_t2_7 = 0.0_dp
69338  r_tmp = r_offset + r1*zeta/(zeta + zetb)
69339  rr2_delta = -r_tmp/dr
69340 
69341  rr2_l = ceiling(-r_c(2) + rr2_delta)
69342  rr2_r = floor(r_c(2) + rr2_delta)
69343 
69344  r = r_tmp + (rr2_l)*dr
69345 
69346  exp2_2rdr = exp(-2*alpha*r*dr)
69347  exp2_rsq = exp(-alpha*r*r)
69348 
69349  DO rr2 = rr2_l, rr2_r
69350  r_pow_t = 1.0_dp
69351  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
69352  r_pow_t = r_pow_t*r
69353  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
69354  r_pow_t = r_pow_t*r
69355  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
69356  r_pow_t = r_pow_t*r
69357  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
69358  r_pow_t = r_pow_t*r
69359  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
69360  r_pow_t = r_pow_t*r
69361  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
69362  r_pow_t = r_pow_t*r
69363  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
69364  r_pow_t = r_pow_t*r
69365  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
69366 
69367  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
69368  exp2_2rdr = exp2_2rdr*exp_2drsq
69369  r = r + dr
69370  END DO
69371 
69372  ! C --> H
69373  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
69374  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
69375  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
69376  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
69377  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
69378  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
69379  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
69380  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
69381  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
69382  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
69383  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
69384  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
69385  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
69386  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
69387  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
69388  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
69389  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
69390  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
69391  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
69392  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
69393  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
69394  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
69395  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
69396  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
69397  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
69398  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
69399  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
69400  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
69401  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
69402  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
69403  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
69404  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
69405  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
69406  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
69407  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
69408  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
69409 
69410  ! H --> HH
69411  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
69412 
69413  c1 = 1.0_dp/(zeta + zetb)
69414  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
69415  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
69416 
69417  e_0_1_0 = zeta*( &
69418  +c2*e_0_0_0&
69419 
69420  )
69421  e_0_0_1 = zetb*( &
69422  +c3*e_0_0_0&
69423 
69424  )
69425  e_1_1_0 = zeta*( c1*e_0_0_0 &
69426 
69427 
69428  )
69429  e_1_0_1 = zetb*( c1*e_0_0_0 &
69430 
69431 
69432  )
69433  e_0_1_1 = zetb*( &
69434  +c3*e_0_1_0&
69435  +2*e_1_1_0 &
69436  )
69437  e_1_1_1 = zetb*( c1*e_0_1_0 &
69438  +c3*e_1_1_0&
69439 
69440  )
69441  e_2_1_1 = zetb*( c1*e_1_1_0 &
69442 
69443 
69444  )
69445  e_0_1_1 = zeta*( &
69446  +c2*e_0_0_1&
69447  +2*e_1_0_1 &
69448  )
69449  e_0_0_2 = zetb*( &
69450  +c3*e_0_0_1&
69451  +2*e_1_0_1 &
69452  -2*e_0_0_0)
69453  e_1_1_1 = zeta*( c1*e_0_0_1 &
69454  +c2*e_1_0_1&
69455 
69456  )
69457  e_1_0_2 = zetb*( c1*e_0_0_1 &
69458  +c3*e_1_0_1&
69459 
69460  )
69461  e_2_1_1 = zeta*( c1*e_1_0_1 &
69462 
69463 
69464  )
69465  e_2_0_2 = zetb*( c1*e_1_0_1 &
69466 
69467 
69468  )
69469  e_0_1_2 = zetb*( &
69470  +c3*e_0_1_1&
69471  +2*e_1_1_1 &
69472  -2*e_0_1_0)
69473  e_1_1_2 = zetb*( c1*e_0_1_1 &
69474  +c3*e_1_1_1&
69475  +4*e_2_1_1 &
69476  -2*e_1_1_0)
69477  e_2_1_2 = zetb*( c1*e_1_1_1 &
69478  +c3*e_2_1_1&
69479 
69480  )
69481  e_3_1_2 = zetb*( c1*e_2_1_1 &
69482 
69483 
69484  )
69485  e_0_1_2 = zeta*( &
69486  +c2*e_0_0_2&
69487  +2*e_1_0_2 &
69488  )
69489  e_0_0_3 = zetb*( &
69490  +c3*e_0_0_2&
69491  +2*e_1_0_2 &
69492  -4*e_0_0_1)
69493  e_1_1_2 = zeta*( c1*e_0_0_2 &
69494  +c2*e_1_0_2&
69495  +4*e_2_0_2 &
69496  )
69497  e_1_0_3 = zetb*( c1*e_0_0_2 &
69498  +c3*e_1_0_2&
69499  +4*e_2_0_2 &
69500  -4*e_1_0_1)
69501  e_2_1_2 = zeta*( c1*e_1_0_2 &
69502  +c2*e_2_0_2&
69503 
69504  )
69505  e_2_0_3 = zetb*( c1*e_1_0_2 &
69506  +c3*e_2_0_2&
69507 
69508  )
69509  e_3_1_2 = zeta*( c1*e_2_0_2 &
69510 
69511 
69512  )
69513  e_3_0_3 = zetb*( c1*e_2_0_2 &
69514 
69515 
69516  )
69517  e_0_1_3 = zetb*( &
69518  +c3*e_0_1_2&
69519  +2*e_1_1_2 &
69520  -4*e_0_1_1)
69521  e_1_1_3 = zetb*( c1*e_0_1_2 &
69522  +c3*e_1_1_2&
69523  +4*e_2_1_2 &
69524  -4*e_1_1_1)
69525  e_2_1_3 = zetb*( c1*e_1_1_2 &
69526  +c3*e_2_1_2&
69527  +6*e_3_1_2 &
69528  -4*e_2_1_1)
69529  e_3_1_3 = zetb*( c1*e_2_1_2 &
69530  +c3*e_3_1_2&
69531 
69532  )
69533  e_4_1_3 = zetb*( c1*e_3_1_2 &
69534 
69535 
69536  )
69537  e_0_1_3 = zeta*( &
69538  +c2*e_0_0_3&
69539  +2*e_1_0_3 &
69540  )
69541  e_1_1_3 = zeta*( c1*e_0_0_3 &
69542  +c2*e_1_0_3&
69543  +4*e_2_0_3 &
69544  )
69545  e_2_1_3 = zeta*( c1*e_1_0_3 &
69546  +c2*e_2_0_3&
69547  +6*e_3_0_3 &
69548  )
69549  e_3_1_3 = zeta*( c1*e_2_0_3 &
69550  +c2*e_3_0_3&
69551 
69552  )
69553  e_4_1_3 = zeta*( c1*e_3_0_3 &
69554 
69555 
69556  )
69557 
69558  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
69559  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
69560  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
69561  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
69562  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
69563  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
69564  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
69565  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
69566  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
69567  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
69568  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
69569  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
69570  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
69571  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
69572  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
69573  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
69574  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
69575  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
69576  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
69577  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
69578  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
69579  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
69580  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
69581  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
69582  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
69583  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
69584  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
69585  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
69586  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
69587  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
69588  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
69589  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
69590  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
69591  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
69592  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
69593  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
69594  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
69595  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
69596  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
69597  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
69598  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
69599  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
69600  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
69601  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
69602  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
69603  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
69604  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
69605  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
69606  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
69607  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
69608  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
69609  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
69610  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
69611  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
69612  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
69613  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
69614  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
69615  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
69616  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
69617  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
69618  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
69619  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
69620  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
69621  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
69622  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
69623  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
69624  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
69625  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
69626  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
69627  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
69628  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
69629  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
69630  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
69631  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
69632  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
69633  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
69634  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
69635  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
69636  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
69637  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
69638  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
69639  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
69640  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
69641  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
69642  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
69643  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
69644  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
69645  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
69646  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
69647  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
69648  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
69649  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
69650  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
69651  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
69652  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
69653  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
69654  r1 = r1 + dr
69655  END DO
69656 
69657  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
69658  END SUBROUTINE
69659  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_3_4_exp_1 ( &
69660  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
69661  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
69662  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
69663  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
69664  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
69665  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
69666  r_pow_t, r_tmp, rr1_delta, rr2_delta
69667 
69668  REAL(kind=dp) :: c1, c2, c3
69669  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
69670  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
69671  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
69672  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
69673  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
69674  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
69675  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
69676  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
69677  & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3
69678 
69679  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
69680 
69681  dr = lgth
69682  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
69683 
69684  s_r(:, :, :) = 0.0_dp
69685 
69686  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
69687 
69688  h_to_c_0_0 = sqrt(alpha/pi)
69689 
69690  h_to_c_0_1 = 0.0_dp
69691  h_to_c_1_1 = +2*alpha*h_to_c_0_0
69692  h_to_c_0_2 = -1*h_to_c_1_1
69693  h_to_c_1_2 = +2*alpha*h_to_c_0_1
69694  h_to_c_2_2 = +2*alpha*h_to_c_1_1
69695  h_to_c_0_3 = -1*h_to_c_1_2
69696  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
69697  h_to_c_2_3 = +2*alpha*h_to_c_1_2
69698  h_to_c_3_3 = +2*alpha*h_to_c_2_2
69699  h_to_c_0_4 = -1*h_to_c_1_3
69700  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
69701  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
69702  h_to_c_3_4 = +2*alpha*h_to_c_2_3
69703  h_to_c_4_4 = +2*alpha*h_to_c_3_3
69704  h_to_c_0_5 = -1*h_to_c_1_4
69705  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
69706  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
69707  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
69708  h_to_c_4_5 = +2*alpha*h_to_c_3_4
69709  h_to_c_5_5 = +2*alpha*h_to_c_4_4
69710  h_to_c_0_6 = -1*h_to_c_1_5
69711  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
69712  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
69713  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
69714  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
69715  h_to_c_5_6 = +2*alpha*h_to_c_4_5
69716  h_to_c_6_6 = +2*alpha*h_to_c_5_5
69717  h_to_c_0_7 = -1*h_to_c_1_6
69718  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
69719  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
69720  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
69721  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
69722  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
69723  h_to_c_6_7 = +2*alpha*h_to_c_5_6
69724  h_to_c_7_7 = +2*alpha*h_to_c_6_6
69725  h_to_c_0_8 = -1*h_to_c_1_7
69726  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
69727  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
69728  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
69729  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
69730  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
69731  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
69732  h_to_c_7_8 = +2*alpha*h_to_c_6_7
69733  h_to_c_8_8 = +2*alpha*h_to_c_7_7
69734 
69735  exp_drsq = exp(-alpha*dr*dr)
69736  exp_2drsq = exp_drsq*exp_drsq
69737 
69738  rr1_delta = (ra - rb)/dr
69739 
69740  rr1_l = ceiling(-r_c(1) + rr1_delta)
69741  rr1_r = floor(r_c(1) + rr1_delta)
69742 
69743  r1 = rr1_l*dr
69744 
69745  alpha_e = zeta*zetb/(zeta + zetb)
69746 
69747  DO rr1 = rr1_l, rr1_r
69748  s_r_t_0 = 0.0_dp
69749  s_r_t2_0 = 0.0_dp
69750  s_r_t_1 = 0.0_dp
69751  s_r_t2_1 = 0.0_dp
69752  s_r_t_2 = 0.0_dp
69753  s_r_t2_2 = 0.0_dp
69754  s_r_t_3 = 0.0_dp
69755  s_r_t2_3 = 0.0_dp
69756  s_r_t_4 = 0.0_dp
69757  s_r_t2_4 = 0.0_dp
69758  s_r_t_5 = 0.0_dp
69759  s_r_t2_5 = 0.0_dp
69760  s_r_t_6 = 0.0_dp
69761  s_r_t2_6 = 0.0_dp
69762  s_r_t_7 = 0.0_dp
69763  s_r_t2_7 = 0.0_dp
69764  s_r_t_8 = 0.0_dp
69765  s_r_t2_8 = 0.0_dp
69766  r_tmp = r_offset + r1*zeta/(zeta + zetb)
69767  rr2_delta = -r_tmp/dr
69768 
69769  rr2_l = ceiling(-r_c(2) + rr2_delta)
69770  rr2_r = floor(r_c(2) + rr2_delta)
69771 
69772  r = r_tmp + (rr2_l)*dr
69773 
69774  exp2_2rdr = exp(-2*alpha*r*dr)
69775  exp2_rsq = exp(-alpha*r*r)
69776 
69777  DO rr2 = rr2_l, rr2_r
69778  r_pow_t = 1.0_dp
69779  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
69780  r_pow_t = r_pow_t*r
69781  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
69782  r_pow_t = r_pow_t*r
69783  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
69784  r_pow_t = r_pow_t*r
69785  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
69786  r_pow_t = r_pow_t*r
69787  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
69788  r_pow_t = r_pow_t*r
69789  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
69790  r_pow_t = r_pow_t*r
69791  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
69792  r_pow_t = r_pow_t*r
69793  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
69794  r_pow_t = r_pow_t*r
69795  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
69796 
69797  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
69798  exp2_2rdr = exp2_2rdr*exp_2drsq
69799  r = r + dr
69800  END DO
69801 
69802  ! C --> H
69803  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
69804  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
69805  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
69806  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
69807  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
69808  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
69809  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
69810  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
69811  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
69812  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
69813  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
69814  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
69815  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
69816  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
69817  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
69818  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
69819  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
69820  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
69821  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
69822  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
69823  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
69824  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
69825  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
69826  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
69827  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
69828  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
69829  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
69830  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
69831  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
69832  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
69833  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
69834  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
69835  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
69836  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
69837  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
69838  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
69839  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
69840  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
69841  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
69842  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
69843  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
69844  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
69845  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
69846  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
69847  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
69848 
69849  ! H --> HH
69850  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
69851 
69852  c1 = 1.0_dp/(zeta + zetb)
69853  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
69854  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
69855 
69856  e_0_1_0 = zeta*( &
69857  +c2*e_0_0_0&
69858 
69859  )
69860  e_0_0_1 = zetb*( &
69861  +c3*e_0_0_0&
69862 
69863  )
69864  e_1_1_0 = zeta*( c1*e_0_0_0 &
69865 
69866 
69867  )
69868  e_1_0_1 = zetb*( c1*e_0_0_0 &
69869 
69870 
69871  )
69872  e_0_1_1 = zetb*( &
69873  +c3*e_0_1_0&
69874  +2*e_1_1_0 &
69875  )
69876  e_1_1_1 = zetb*( c1*e_0_1_0 &
69877  +c3*e_1_1_0&
69878 
69879  )
69880  e_2_1_1 = zetb*( c1*e_1_1_0 &
69881 
69882 
69883  )
69884  e_0_1_1 = zeta*( &
69885  +c2*e_0_0_1&
69886  +2*e_1_0_1 &
69887  )
69888  e_0_0_2 = zetb*( &
69889  +c3*e_0_0_1&
69890  +2*e_1_0_1 &
69891  -2*e_0_0_0)
69892  e_1_1_1 = zeta*( c1*e_0_0_1 &
69893  +c2*e_1_0_1&
69894 
69895  )
69896  e_1_0_2 = zetb*( c1*e_0_0_1 &
69897  +c3*e_1_0_1&
69898 
69899  )
69900  e_2_1_1 = zeta*( c1*e_1_0_1 &
69901 
69902 
69903  )
69904  e_2_0_2 = zetb*( c1*e_1_0_1 &
69905 
69906 
69907  )
69908  e_0_1_2 = zetb*( &
69909  +c3*e_0_1_1&
69910  +2*e_1_1_1 &
69911  -2*e_0_1_0)
69912  e_1_1_2 = zetb*( c1*e_0_1_1 &
69913  +c3*e_1_1_1&
69914  +4*e_2_1_1 &
69915  -2*e_1_1_0)
69916  e_2_1_2 = zetb*( c1*e_1_1_1 &
69917  +c3*e_2_1_1&
69918 
69919  )
69920  e_3_1_2 = zetb*( c1*e_2_1_1 &
69921 
69922 
69923  )
69924  e_0_1_2 = zeta*( &
69925  +c2*e_0_0_2&
69926  +2*e_1_0_2 &
69927  )
69928  e_0_0_3 = zetb*( &
69929  +c3*e_0_0_2&
69930  +2*e_1_0_2 &
69931  -4*e_0_0_1)
69932  e_1_1_2 = zeta*( c1*e_0_0_2 &
69933  +c2*e_1_0_2&
69934  +4*e_2_0_2 &
69935  )
69936  e_1_0_3 = zetb*( c1*e_0_0_2 &
69937  +c3*e_1_0_2&
69938  +4*e_2_0_2 &
69939  -4*e_1_0_1)
69940  e_2_1_2 = zeta*( c1*e_1_0_2 &
69941  +c2*e_2_0_2&
69942 
69943  )
69944  e_2_0_3 = zetb*( c1*e_1_0_2 &
69945  +c3*e_2_0_2&
69946 
69947  )
69948  e_3_1_2 = zeta*( c1*e_2_0_2 &
69949 
69950 
69951  )
69952  e_3_0_3 = zetb*( c1*e_2_0_2 &
69953 
69954 
69955  )
69956  e_0_1_3 = zetb*( &
69957  +c3*e_0_1_2&
69958  +2*e_1_1_2 &
69959  -4*e_0_1_1)
69960  e_1_1_3 = zetb*( c1*e_0_1_2 &
69961  +c3*e_1_1_2&
69962  +4*e_2_1_2 &
69963  -4*e_1_1_1)
69964  e_2_1_3 = zetb*( c1*e_1_1_2 &
69965  +c3*e_2_1_2&
69966  +6*e_3_1_2 &
69967  -4*e_2_1_1)
69968  e_3_1_3 = zetb*( c1*e_2_1_2 &
69969  +c3*e_3_1_2&
69970 
69971  )
69972  e_4_1_3 = zetb*( c1*e_3_1_2 &
69973 
69974 
69975  )
69976  e_0_1_3 = zeta*( &
69977  +c2*e_0_0_3&
69978  +2*e_1_0_3 &
69979  )
69980  e_1_1_3 = zeta*( c1*e_0_0_3 &
69981  +c2*e_1_0_3&
69982  +4*e_2_0_3 &
69983  )
69984  e_2_1_3 = zeta*( c1*e_1_0_3 &
69985  +c2*e_2_0_3&
69986  +6*e_3_0_3 &
69987  )
69988  e_3_1_3 = zeta*( c1*e_2_0_3 &
69989  +c2*e_3_0_3&
69990 
69991  )
69992  e_4_1_3 = zeta*( c1*e_3_0_3 &
69993 
69994 
69995  )
69996 
69997  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
69998  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
69999  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
70000  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
70001  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
70002  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
70003  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
70004  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
70005  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
70006  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
70007  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
70008  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
70009  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
70010  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
70011  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
70012  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
70013  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
70014  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
70015  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
70016  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
70017  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
70018  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
70019  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
70020  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
70021  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
70022  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
70023  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
70024  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
70025  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
70026  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
70027  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
70028  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
70029  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
70030  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
70031  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
70032  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
70033  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
70034  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
70035  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
70036  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
70037  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
70038  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
70039  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
70040  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
70041  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
70042  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
70043  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
70044  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
70045  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
70046  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
70047  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
70048  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
70049  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
70050  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
70051  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
70052  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
70053  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
70054  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
70055  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
70056  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
70057  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
70058  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
70059  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
70060  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
70061  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
70062  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
70063  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
70064  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
70065  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
70066  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
70067  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
70068  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
70069  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
70070  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
70071  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
70072  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
70073  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
70074  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
70075  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
70076  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
70077  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
70078  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
70079  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
70080  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
70081  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
70082  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
70083  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
70084  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
70085  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
70086  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
70087  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
70088  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
70089  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
70090  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
70091  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
70092  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
70093  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
70094  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
70095  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
70096  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
70097  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
70098  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
70099  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
70100  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
70101  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
70102  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
70103  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
70104  s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
70105  s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
70106  s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
70107  s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
70108  s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
70109  s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
70110  s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
70111  s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
70112  s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
70113  s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
70114  s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
70115  s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
70116  s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
70117  r1 = r1 + dr
70118  END DO
70119 
70120  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
70121  END SUBROUTINE
70122  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_4_0_exp_1 ( &
70123  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
70124  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
70125  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
70126  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
70127  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
70128  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
70129  r_pow_t, r_tmp, rr1_delta, rr2_delta
70130 
70131  REAL(kind=dp) :: c1, c2, c3
70132  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
70133  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
70134  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
70135  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
70136  & h_to_c_4_5, h_to_c_5_5
70137  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
70138  & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_0_4,&
70139  & e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4
70140 
70141  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
70142 
70143  dr = lgth
70144  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
70145 
70146  s_r(:, :, :) = 0.0_dp
70147 
70148  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
70149 
70150  h_to_c_0_0 = sqrt(alpha/pi)
70151 
70152  h_to_c_0_1 = 0.0_dp
70153  h_to_c_1_1 = +2*alpha*h_to_c_0_0
70154  h_to_c_0_2 = -1*h_to_c_1_1
70155  h_to_c_1_2 = +2*alpha*h_to_c_0_1
70156  h_to_c_2_2 = +2*alpha*h_to_c_1_1
70157  h_to_c_0_3 = -1*h_to_c_1_2
70158  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
70159  h_to_c_2_3 = +2*alpha*h_to_c_1_2
70160  h_to_c_3_3 = +2*alpha*h_to_c_2_2
70161  h_to_c_0_4 = -1*h_to_c_1_3
70162  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
70163  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
70164  h_to_c_3_4 = +2*alpha*h_to_c_2_3
70165  h_to_c_4_4 = +2*alpha*h_to_c_3_3
70166  h_to_c_0_5 = -1*h_to_c_1_4
70167  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
70168  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
70169  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
70170  h_to_c_4_5 = +2*alpha*h_to_c_3_4
70171  h_to_c_5_5 = +2*alpha*h_to_c_4_4
70172 
70173  exp_drsq = exp(-alpha*dr*dr)
70174  exp_2drsq = exp_drsq*exp_drsq
70175 
70176  rr1_delta = (ra - rb)/dr
70177 
70178  rr1_l = ceiling(-r_c(1) + rr1_delta)
70179  rr1_r = floor(r_c(1) + rr1_delta)
70180 
70181  r1 = rr1_l*dr
70182 
70183  alpha_e = zeta*zetb/(zeta + zetb)
70184 
70185  DO rr1 = rr1_l, rr1_r
70186  s_r_t_0 = 0.0_dp
70187  s_r_t2_0 = 0.0_dp
70188  s_r_t_1 = 0.0_dp
70189  s_r_t2_1 = 0.0_dp
70190  s_r_t_2 = 0.0_dp
70191  s_r_t2_2 = 0.0_dp
70192  s_r_t_3 = 0.0_dp
70193  s_r_t2_3 = 0.0_dp
70194  s_r_t_4 = 0.0_dp
70195  s_r_t2_4 = 0.0_dp
70196  s_r_t_5 = 0.0_dp
70197  s_r_t2_5 = 0.0_dp
70198  r_tmp = r_offset + r1*zeta/(zeta + zetb)
70199  rr2_delta = -r_tmp/dr
70200 
70201  rr2_l = ceiling(-r_c(2) + rr2_delta)
70202  rr2_r = floor(r_c(2) + rr2_delta)
70203 
70204  r = r_tmp + (rr2_l)*dr
70205 
70206  exp2_2rdr = exp(-2*alpha*r*dr)
70207  exp2_rsq = exp(-alpha*r*r)
70208 
70209  DO rr2 = rr2_l, rr2_r
70210  r_pow_t = 1.0_dp
70211  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
70212  r_pow_t = r_pow_t*r
70213  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
70214  r_pow_t = r_pow_t*r
70215  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
70216  r_pow_t = r_pow_t*r
70217  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
70218  r_pow_t = r_pow_t*r
70219  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
70220  r_pow_t = r_pow_t*r
70221  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
70222 
70223  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
70224  exp2_2rdr = exp2_2rdr*exp_2drsq
70225  r = r + dr
70226  END DO
70227 
70228  ! C --> H
70229  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
70230  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
70231  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
70232  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
70233  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
70234  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
70235  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
70236  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
70237  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
70238  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
70239  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
70240  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
70241  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
70242  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
70243  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
70244  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
70245  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
70246  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
70247  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
70248  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
70249  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
70250 
70251  ! H --> HH
70252  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
70253 
70254  c1 = 1.0_dp/(zeta + zetb)
70255  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
70256  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
70257 
70258  e_0_1_0 = zeta*( &
70259  +c2*e_0_0_0&
70260 
70261  )
70262  e_0_0_1 = zetb*( &
70263  +c3*e_0_0_0&
70264 
70265  )
70266  e_1_1_0 = zeta*( c1*e_0_0_0 &
70267 
70268 
70269  )
70270  e_1_0_1 = zetb*( c1*e_0_0_0 &
70271 
70272 
70273  )
70274  e_0_1_1 = zetb*( &
70275  +c3*e_0_1_0&
70276  +2*e_1_1_0 &
70277  )
70278  e_1_1_1 = zetb*( c1*e_0_1_0 &
70279  +c3*e_1_1_0&
70280 
70281  )
70282  e_2_1_1 = zetb*( c1*e_1_1_0 &
70283 
70284 
70285  )
70286  e_0_1_1 = zeta*( &
70287  +c2*e_0_0_1&
70288  +2*e_1_0_1 &
70289  )
70290  e_0_0_2 = zetb*( &
70291  +c3*e_0_0_1&
70292  +2*e_1_0_1 &
70293  -2*e_0_0_0)
70294  e_1_1_1 = zeta*( c1*e_0_0_1 &
70295  +c2*e_1_0_1&
70296 
70297  )
70298  e_1_0_2 = zetb*( c1*e_0_0_1 &
70299  +c3*e_1_0_1&
70300 
70301  )
70302  e_2_1_1 = zeta*( c1*e_1_0_1 &
70303 
70304 
70305  )
70306  e_2_0_2 = zetb*( c1*e_1_0_1 &
70307 
70308 
70309  )
70310  e_0_1_2 = zetb*( &
70311  +c3*e_0_1_1&
70312  +2*e_1_1_1 &
70313  -2*e_0_1_0)
70314  e_1_1_2 = zetb*( c1*e_0_1_1 &
70315  +c3*e_1_1_1&
70316  +4*e_2_1_1 &
70317  -2*e_1_1_0)
70318  e_2_1_2 = zetb*( c1*e_1_1_1 &
70319  +c3*e_2_1_1&
70320 
70321  )
70322  e_3_1_2 = zetb*( c1*e_2_1_1 &
70323 
70324 
70325  )
70326  e_0_1_2 = zeta*( &
70327  +c2*e_0_0_2&
70328  +2*e_1_0_2 &
70329  )
70330  e_0_0_3 = zetb*( &
70331  +c3*e_0_0_2&
70332  +2*e_1_0_2 &
70333  -4*e_0_0_1)
70334  e_1_1_2 = zeta*( c1*e_0_0_2 &
70335  +c2*e_1_0_2&
70336  +4*e_2_0_2 &
70337  )
70338  e_1_0_3 = zetb*( c1*e_0_0_2 &
70339  +c3*e_1_0_2&
70340  +4*e_2_0_2 &
70341  -4*e_1_0_1)
70342  e_2_1_2 = zeta*( c1*e_1_0_2 &
70343  +c2*e_2_0_2&
70344 
70345  )
70346  e_2_0_3 = zetb*( c1*e_1_0_2 &
70347  +c3*e_2_0_2&
70348 
70349  )
70350  e_3_1_2 = zeta*( c1*e_2_0_2 &
70351 
70352 
70353  )
70354  e_3_0_3 = zetb*( c1*e_2_0_2 &
70355 
70356 
70357  )
70358  e_0_1_3 = zetb*( &
70359  +c3*e_0_1_2&
70360  +2*e_1_1_2 &
70361  -4*e_0_1_1)
70362  e_1_1_3 = zetb*( c1*e_0_1_2 &
70363  +c3*e_1_1_2&
70364  +4*e_2_1_2 &
70365  -4*e_1_1_1)
70366  e_2_1_3 = zetb*( c1*e_1_1_2 &
70367  +c3*e_2_1_2&
70368  +6*e_3_1_2 &
70369  -4*e_2_1_1)
70370  e_3_1_3 = zetb*( c1*e_2_1_2 &
70371  +c3*e_3_1_2&
70372 
70373  )
70374  e_4_1_3 = zetb*( c1*e_3_1_2 &
70375 
70376 
70377  )
70378  e_0_1_3 = zeta*( &
70379  +c2*e_0_0_3&
70380  +2*e_1_0_3 &
70381  )
70382  e_0_0_4 = zetb*( &
70383  +c3*e_0_0_3&
70384  +2*e_1_0_3 &
70385  -6*e_0_0_2)
70386  e_1_1_3 = zeta*( c1*e_0_0_3 &
70387  +c2*e_1_0_3&
70388  +4*e_2_0_3 &
70389  )
70390  e_1_0_4 = zetb*( c1*e_0_0_3 &
70391  +c3*e_1_0_3&
70392  +4*e_2_0_3 &
70393  -6*e_1_0_2)
70394  e_2_1_3 = zeta*( c1*e_1_0_3 &
70395  +c2*e_2_0_3&
70396  +6*e_3_0_3 &
70397  )
70398  e_2_0_4 = zetb*( c1*e_1_0_3 &
70399  +c3*e_2_0_3&
70400  +6*e_3_0_3 &
70401  -6*e_2_0_2)
70402  e_3_1_3 = zeta*( c1*e_2_0_3 &
70403  +c2*e_3_0_3&
70404 
70405  )
70406  e_3_0_4 = zetb*( c1*e_2_0_3 &
70407  +c3*e_3_0_3&
70408 
70409  )
70410  e_4_1_3 = zeta*( c1*e_3_0_3 &
70411 
70412 
70413  )
70414  e_4_0_4 = zetb*( c1*e_3_0_3 &
70415 
70416 
70417  )
70418  e_0_1_4 = zetb*( &
70419  +c3*e_0_1_3&
70420  +2*e_1_1_3 &
70421  -6*e_0_1_2)
70422  e_1_1_4 = zetb*( c1*e_0_1_3 &
70423  +c3*e_1_1_3&
70424  +4*e_2_1_3 &
70425  -6*e_1_1_2)
70426  e_2_1_4 = zetb*( c1*e_1_1_3 &
70427  +c3*e_2_1_3&
70428  +6*e_3_1_3 &
70429  -6*e_2_1_2)
70430  e_3_1_4 = zetb*( c1*e_2_1_3 &
70431  +c3*e_3_1_3&
70432  +8*e_4_1_3 &
70433  -6*e_3_1_2)
70434  e_4_1_4 = zetb*( c1*e_3_1_3 &
70435  +c3*e_4_1_3&
70436 
70437  )
70438  e_5_1_4 = zetb*( c1*e_4_1_3 &
70439 
70440 
70441  )
70442  e_0_1_4 = zeta*( &
70443  +c2*e_0_0_4&
70444  +2*e_1_0_4 &
70445  )
70446  e_1_1_4 = zeta*( c1*e_0_0_4 &
70447  +c2*e_1_0_4&
70448  +4*e_2_0_4 &
70449  )
70450  e_2_1_4 = zeta*( c1*e_1_0_4 &
70451  +c2*e_2_0_4&
70452  +6*e_3_0_4 &
70453  )
70454  e_3_1_4 = zeta*( c1*e_2_0_4 &
70455  +c2*e_3_0_4&
70456  +8*e_4_0_4 &
70457  )
70458  e_4_1_4 = zeta*( c1*e_3_0_4 &
70459  +c2*e_4_0_4&
70460 
70461  )
70462  e_5_1_4 = zeta*( c1*e_4_0_4 &
70463 
70464 
70465  )
70466 
70467  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
70468  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
70469  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
70470  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
70471  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
70472  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
70473  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
70474  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
70475  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
70476  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
70477  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
70478  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
70479  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
70480  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
70481  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
70482  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
70483  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
70484  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
70485  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
70486  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
70487  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
70488  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
70489  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
70490  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
70491  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
70492  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
70493  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
70494  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
70495  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
70496  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
70497  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
70498  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
70499  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
70500  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
70501  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
70502  r1 = r1 + dr
70503  END DO
70504 
70505  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
70506  END SUBROUTINE
70507  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_4_1_exp_1 ( &
70508  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
70509  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
70510  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
70511  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
70512  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
70513  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
70514  r_pow_t, r_tmp, rr1_delta, rr2_delta
70515 
70516  REAL(kind=dp) :: c1, c2, c3
70517  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
70518  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
70519  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
70520  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
70521  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
70522  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
70523  & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_0_4,&
70524  & e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4
70525 
70526  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
70527 
70528  dr = lgth
70529  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
70530 
70531  s_r(:, :, :) = 0.0_dp
70532 
70533  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
70534 
70535  h_to_c_0_0 = sqrt(alpha/pi)
70536 
70537  h_to_c_0_1 = 0.0_dp
70538  h_to_c_1_1 = +2*alpha*h_to_c_0_0
70539  h_to_c_0_2 = -1*h_to_c_1_1
70540  h_to_c_1_2 = +2*alpha*h_to_c_0_1
70541  h_to_c_2_2 = +2*alpha*h_to_c_1_1
70542  h_to_c_0_3 = -1*h_to_c_1_2
70543  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
70544  h_to_c_2_3 = +2*alpha*h_to_c_1_2
70545  h_to_c_3_3 = +2*alpha*h_to_c_2_2
70546  h_to_c_0_4 = -1*h_to_c_1_3
70547  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
70548  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
70549  h_to_c_3_4 = +2*alpha*h_to_c_2_3
70550  h_to_c_4_4 = +2*alpha*h_to_c_3_3
70551  h_to_c_0_5 = -1*h_to_c_1_4
70552  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
70553  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
70554  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
70555  h_to_c_4_5 = +2*alpha*h_to_c_3_4
70556  h_to_c_5_5 = +2*alpha*h_to_c_4_4
70557  h_to_c_0_6 = -1*h_to_c_1_5
70558  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
70559  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
70560  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
70561  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
70562  h_to_c_5_6 = +2*alpha*h_to_c_4_5
70563  h_to_c_6_6 = +2*alpha*h_to_c_5_5
70564 
70565  exp_drsq = exp(-alpha*dr*dr)
70566  exp_2drsq = exp_drsq*exp_drsq
70567 
70568  rr1_delta = (ra - rb)/dr
70569 
70570  rr1_l = ceiling(-r_c(1) + rr1_delta)
70571  rr1_r = floor(r_c(1) + rr1_delta)
70572 
70573  r1 = rr1_l*dr
70574 
70575  alpha_e = zeta*zetb/(zeta + zetb)
70576 
70577  DO rr1 = rr1_l, rr1_r
70578  s_r_t_0 = 0.0_dp
70579  s_r_t2_0 = 0.0_dp
70580  s_r_t_1 = 0.0_dp
70581  s_r_t2_1 = 0.0_dp
70582  s_r_t_2 = 0.0_dp
70583  s_r_t2_2 = 0.0_dp
70584  s_r_t_3 = 0.0_dp
70585  s_r_t2_3 = 0.0_dp
70586  s_r_t_4 = 0.0_dp
70587  s_r_t2_4 = 0.0_dp
70588  s_r_t_5 = 0.0_dp
70589  s_r_t2_5 = 0.0_dp
70590  s_r_t_6 = 0.0_dp
70591  s_r_t2_6 = 0.0_dp
70592  r_tmp = r_offset + r1*zeta/(zeta + zetb)
70593  rr2_delta = -r_tmp/dr
70594 
70595  rr2_l = ceiling(-r_c(2) + rr2_delta)
70596  rr2_r = floor(r_c(2) + rr2_delta)
70597 
70598  r = r_tmp + (rr2_l)*dr
70599 
70600  exp2_2rdr = exp(-2*alpha*r*dr)
70601  exp2_rsq = exp(-alpha*r*r)
70602 
70603  DO rr2 = rr2_l, rr2_r
70604  r_pow_t = 1.0_dp
70605  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
70606  r_pow_t = r_pow_t*r
70607  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
70608  r_pow_t = r_pow_t*r
70609  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
70610  r_pow_t = r_pow_t*r
70611  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
70612  r_pow_t = r_pow_t*r
70613  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
70614  r_pow_t = r_pow_t*r
70615  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
70616  r_pow_t = r_pow_t*r
70617  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
70618 
70619  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
70620  exp2_2rdr = exp2_2rdr*exp_2drsq
70621  r = r + dr
70622  END DO
70623 
70624  ! C --> H
70625  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
70626  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
70627  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
70628  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
70629  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
70630  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
70631  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
70632  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
70633  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
70634  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
70635  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
70636  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
70637  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
70638  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
70639  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
70640  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
70641  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
70642  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
70643  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
70644  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
70645  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
70646  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
70647  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
70648  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
70649  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
70650  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
70651  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
70652  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
70653 
70654  ! H --> HH
70655  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
70656 
70657  c1 = 1.0_dp/(zeta + zetb)
70658  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
70659  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
70660 
70661  e_0_1_0 = zeta*( &
70662  +c2*e_0_0_0&
70663 
70664  )
70665  e_0_0_1 = zetb*( &
70666  +c3*e_0_0_0&
70667 
70668  )
70669  e_1_1_0 = zeta*( c1*e_0_0_0 &
70670 
70671 
70672  )
70673  e_1_0_1 = zetb*( c1*e_0_0_0 &
70674 
70675 
70676  )
70677  e_0_1_1 = zetb*( &
70678  +c3*e_0_1_0&
70679  +2*e_1_1_0 &
70680  )
70681  e_1_1_1 = zetb*( c1*e_0_1_0 &
70682  +c3*e_1_1_0&
70683 
70684  )
70685  e_2_1_1 = zetb*( c1*e_1_1_0 &
70686 
70687 
70688  )
70689  e_0_1_1 = zeta*( &
70690  +c2*e_0_0_1&
70691  +2*e_1_0_1 &
70692  )
70693  e_0_0_2 = zetb*( &
70694  +c3*e_0_0_1&
70695  +2*e_1_0_1 &
70696  -2*e_0_0_0)
70697  e_1_1_1 = zeta*( c1*e_0_0_1 &
70698  +c2*e_1_0_1&
70699 
70700  )
70701  e_1_0_2 = zetb*( c1*e_0_0_1 &
70702  +c3*e_1_0_1&
70703 
70704  )
70705  e_2_1_1 = zeta*( c1*e_1_0_1 &
70706 
70707 
70708  )
70709  e_2_0_2 = zetb*( c1*e_1_0_1 &
70710 
70711 
70712  )
70713  e_0_1_2 = zetb*( &
70714  +c3*e_0_1_1&
70715  +2*e_1_1_1 &
70716  -2*e_0_1_0)
70717  e_1_1_2 = zetb*( c1*e_0_1_1 &
70718  +c3*e_1_1_1&
70719  +4*e_2_1_1 &
70720  -2*e_1_1_0)
70721  e_2_1_2 = zetb*( c1*e_1_1_1 &
70722  +c3*e_2_1_1&
70723 
70724  )
70725  e_3_1_2 = zetb*( c1*e_2_1_1 &
70726 
70727 
70728  )
70729  e_0_1_2 = zeta*( &
70730  +c2*e_0_0_2&
70731  +2*e_1_0_2 &
70732  )
70733  e_0_0_3 = zetb*( &
70734  +c3*e_0_0_2&
70735  +2*e_1_0_2 &
70736  -4*e_0_0_1)
70737  e_1_1_2 = zeta*( c1*e_0_0_2 &
70738  +c2*e_1_0_2&
70739  +4*e_2_0_2 &
70740  )
70741  e_1_0_3 = zetb*( c1*e_0_0_2 &
70742  +c3*e_1_0_2&
70743  +4*e_2_0_2 &
70744  -4*e_1_0_1)
70745  e_2_1_2 = zeta*( c1*e_1_0_2 &
70746  +c2*e_2_0_2&
70747 
70748  )
70749  e_2_0_3 = zetb*( c1*e_1_0_2 &
70750  +c3*e_2_0_2&
70751 
70752  )
70753  e_3_1_2 = zeta*( c1*e_2_0_2 &
70754 
70755 
70756  )
70757  e_3_0_3 = zetb*( c1*e_2_0_2 &
70758 
70759 
70760  )
70761  e_0_1_3 = zetb*( &
70762  +c3*e_0_1_2&
70763  +2*e_1_1_2 &
70764  -4*e_0_1_1)
70765  e_1_1_3 = zetb*( c1*e_0_1_2 &
70766  +c3*e_1_1_2&
70767  +4*e_2_1_2 &
70768  -4*e_1_1_1)
70769  e_2_1_3 = zetb*( c1*e_1_1_2 &
70770  +c3*e_2_1_2&
70771  +6*e_3_1_2 &
70772  -4*e_2_1_1)
70773  e_3_1_3 = zetb*( c1*e_2_1_2 &
70774  +c3*e_3_1_2&
70775 
70776  )
70777  e_4_1_3 = zetb*( c1*e_3_1_2 &
70778 
70779 
70780  )
70781  e_0_1_3 = zeta*( &
70782  +c2*e_0_0_3&
70783  +2*e_1_0_3 &
70784  )
70785  e_0_0_4 = zetb*( &
70786  +c3*e_0_0_3&
70787  +2*e_1_0_3 &
70788  -6*e_0_0_2)
70789  e_1_1_3 = zeta*( c1*e_0_0_3 &
70790  +c2*e_1_0_3&
70791  +4*e_2_0_3 &
70792  )
70793  e_1_0_4 = zetb*( c1*e_0_0_3 &
70794  +c3*e_1_0_3&
70795  +4*e_2_0_3 &
70796  -6*e_1_0_2)
70797  e_2_1_3 = zeta*( c1*e_1_0_3 &
70798  +c2*e_2_0_3&
70799  +6*e_3_0_3 &
70800  )
70801  e_2_0_4 = zetb*( c1*e_1_0_3 &
70802  +c3*e_2_0_3&
70803  +6*e_3_0_3 &
70804  -6*e_2_0_2)
70805  e_3_1_3 = zeta*( c1*e_2_0_3 &
70806  +c2*e_3_0_3&
70807 
70808  )
70809  e_3_0_4 = zetb*( c1*e_2_0_3 &
70810  +c3*e_3_0_3&
70811 
70812  )
70813  e_4_1_3 = zeta*( c1*e_3_0_3 &
70814 
70815 
70816  )
70817  e_4_0_4 = zetb*( c1*e_3_0_3 &
70818 
70819 
70820  )
70821  e_0_1_4 = zetb*( &
70822  +c3*e_0_1_3&
70823  +2*e_1_1_3 &
70824  -6*e_0_1_2)
70825  e_1_1_4 = zetb*( c1*e_0_1_3 &
70826  +c3*e_1_1_3&
70827  +4*e_2_1_3 &
70828  -6*e_1_1_2)
70829  e_2_1_4 = zetb*( c1*e_1_1_3 &
70830  +c3*e_2_1_3&
70831  +6*e_3_1_3 &
70832  -6*e_2_1_2)
70833  e_3_1_4 = zetb*( c1*e_2_1_3 &
70834  +c3*e_3_1_3&
70835  +8*e_4_1_3 &
70836  -6*e_3_1_2)
70837  e_4_1_4 = zetb*( c1*e_3_1_3 &
70838  +c3*e_4_1_3&
70839 
70840  )
70841  e_5_1_4 = zetb*( c1*e_4_1_3 &
70842 
70843 
70844  )
70845  e_0_1_4 = zeta*( &
70846  +c2*e_0_0_4&
70847  +2*e_1_0_4 &
70848  )
70849  e_1_1_4 = zeta*( c1*e_0_0_4 &
70850  +c2*e_1_0_4&
70851  +4*e_2_0_4 &
70852  )
70853  e_2_1_4 = zeta*( c1*e_1_0_4 &
70854  +c2*e_2_0_4&
70855  +6*e_3_0_4 &
70856  )
70857  e_3_1_4 = zeta*( c1*e_2_0_4 &
70858  +c2*e_3_0_4&
70859  +8*e_4_0_4 &
70860  )
70861  e_4_1_4 = zeta*( c1*e_3_0_4 &
70862  +c2*e_4_0_4&
70863 
70864  )
70865  e_5_1_4 = zeta*( c1*e_4_0_4 &
70866 
70867 
70868  )
70869 
70870  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
70871  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
70872  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
70873  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
70874  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
70875  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
70876  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
70877  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
70878  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
70879  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
70880  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
70881  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
70882  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
70883  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
70884  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
70885  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
70886  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
70887  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
70888  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
70889  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
70890  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
70891  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
70892  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
70893  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
70894  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
70895  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
70896  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
70897  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
70898  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
70899  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
70900  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
70901  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
70902  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
70903  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
70904  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
70905  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
70906  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
70907  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
70908  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
70909  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
70910  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
70911  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
70912  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
70913  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
70914  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
70915  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
70916  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
70917  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
70918  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
70919  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
70920  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
70921  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
70922  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
70923  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
70924  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
70925  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
70926  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
70927  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
70928  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
70929  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
70930  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
70931  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
70932  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
70933  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
70934  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
70935  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
70936  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
70937  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
70938  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
70939  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
70940  r1 = r1 + dr
70941  END DO
70942 
70943  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
70944  END SUBROUTINE
70945  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_4_2_exp_1 ( &
70946  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
70947  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
70948  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
70949  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
70950  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
70951  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
70952  r_pow_t, r_tmp, rr1_delta, rr2_delta
70953 
70954  REAL(kind=dp) :: c1, c2, c3
70955  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
70956  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
70957  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
70958  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
70959  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
70960  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
70961  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
70962  & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_0_4,&
70963  & e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4
70964 
70965  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
70966 
70967  dr = lgth
70968  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
70969 
70970  s_r(:, :, :) = 0.0_dp
70971 
70972  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
70973 
70974  h_to_c_0_0 = sqrt(alpha/pi)
70975 
70976  h_to_c_0_1 = 0.0_dp
70977  h_to_c_1_1 = +2*alpha*h_to_c_0_0
70978  h_to_c_0_2 = -1*h_to_c_1_1
70979  h_to_c_1_2 = +2*alpha*h_to_c_0_1
70980  h_to_c_2_2 = +2*alpha*h_to_c_1_1
70981  h_to_c_0_3 = -1*h_to_c_1_2
70982  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
70983  h_to_c_2_3 = +2*alpha*h_to_c_1_2
70984  h_to_c_3_3 = +2*alpha*h_to_c_2_2
70985  h_to_c_0_4 = -1*h_to_c_1_3
70986  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
70987  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
70988  h_to_c_3_4 = +2*alpha*h_to_c_2_3
70989  h_to_c_4_4 = +2*alpha*h_to_c_3_3
70990  h_to_c_0_5 = -1*h_to_c_1_4
70991  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
70992  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
70993  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
70994  h_to_c_4_5 = +2*alpha*h_to_c_3_4
70995  h_to_c_5_5 = +2*alpha*h_to_c_4_4
70996  h_to_c_0_6 = -1*h_to_c_1_5
70997  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
70998  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
70999  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
71000  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
71001  h_to_c_5_6 = +2*alpha*h_to_c_4_5
71002  h_to_c_6_6 = +2*alpha*h_to_c_5_5
71003  h_to_c_0_7 = -1*h_to_c_1_6
71004  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
71005  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
71006  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
71007  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
71008  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
71009  h_to_c_6_7 = +2*alpha*h_to_c_5_6
71010  h_to_c_7_7 = +2*alpha*h_to_c_6_6
71011 
71012  exp_drsq = exp(-alpha*dr*dr)
71013  exp_2drsq = exp_drsq*exp_drsq
71014 
71015  rr1_delta = (ra - rb)/dr
71016 
71017  rr1_l = ceiling(-r_c(1) + rr1_delta)
71018  rr1_r = floor(r_c(1) + rr1_delta)
71019 
71020  r1 = rr1_l*dr
71021 
71022  alpha_e = zeta*zetb/(zeta + zetb)
71023 
71024  DO rr1 = rr1_l, rr1_r
71025  s_r_t_0 = 0.0_dp
71026  s_r_t2_0 = 0.0_dp
71027  s_r_t_1 = 0.0_dp
71028  s_r_t2_1 = 0.0_dp
71029  s_r_t_2 = 0.0_dp
71030  s_r_t2_2 = 0.0_dp
71031  s_r_t_3 = 0.0_dp
71032  s_r_t2_3 = 0.0_dp
71033  s_r_t_4 = 0.0_dp
71034  s_r_t2_4 = 0.0_dp
71035  s_r_t_5 = 0.0_dp
71036  s_r_t2_5 = 0.0_dp
71037  s_r_t_6 = 0.0_dp
71038  s_r_t2_6 = 0.0_dp
71039  s_r_t_7 = 0.0_dp
71040  s_r_t2_7 = 0.0_dp
71041  r_tmp = r_offset + r1*zeta/(zeta + zetb)
71042  rr2_delta = -r_tmp/dr
71043 
71044  rr2_l = ceiling(-r_c(2) + rr2_delta)
71045  rr2_r = floor(r_c(2) + rr2_delta)
71046 
71047  r = r_tmp + (rr2_l)*dr
71048 
71049  exp2_2rdr = exp(-2*alpha*r*dr)
71050  exp2_rsq = exp(-alpha*r*r)
71051 
71052  DO rr2 = rr2_l, rr2_r
71053  r_pow_t = 1.0_dp
71054  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
71055  r_pow_t = r_pow_t*r
71056  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
71057  r_pow_t = r_pow_t*r
71058  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
71059  r_pow_t = r_pow_t*r
71060  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
71061  r_pow_t = r_pow_t*r
71062  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
71063  r_pow_t = r_pow_t*r
71064  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
71065  r_pow_t = r_pow_t*r
71066  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
71067  r_pow_t = r_pow_t*r
71068  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
71069 
71070  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
71071  exp2_2rdr = exp2_2rdr*exp_2drsq
71072  r = r + dr
71073  END DO
71074 
71075  ! C --> H
71076  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
71077  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
71078  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
71079  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
71080  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
71081  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
71082  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
71083  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
71084  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
71085  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
71086  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
71087  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
71088  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
71089  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
71090  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
71091  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
71092  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
71093  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
71094  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
71095  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
71096  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
71097  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
71098  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
71099  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
71100  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
71101  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
71102  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
71103  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
71104  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
71105  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
71106  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
71107  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
71108  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
71109  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
71110  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
71111  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
71112 
71113  ! H --> HH
71114  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
71115 
71116  c1 = 1.0_dp/(zeta + zetb)
71117  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
71118  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
71119 
71120  e_0_1_0 = zeta*( &
71121  +c2*e_0_0_0&
71122 
71123  )
71124  e_0_0_1 = zetb*( &
71125  +c3*e_0_0_0&
71126 
71127  )
71128  e_1_1_0 = zeta*( c1*e_0_0_0 &
71129 
71130 
71131  )
71132  e_1_0_1 = zetb*( c1*e_0_0_0 &
71133 
71134 
71135  )
71136  e_0_1_1 = zetb*( &
71137  +c3*e_0_1_0&
71138  +2*e_1_1_0 &
71139  )
71140  e_1_1_1 = zetb*( c1*e_0_1_0 &
71141  +c3*e_1_1_0&
71142 
71143  )
71144  e_2_1_1 = zetb*( c1*e_1_1_0 &
71145 
71146 
71147  )
71148  e_0_1_1 = zeta*( &
71149  +c2*e_0_0_1&
71150  +2*e_1_0_1 &
71151  )
71152  e_0_0_2 = zetb*( &
71153  +c3*e_0_0_1&
71154  +2*e_1_0_1 &
71155  -2*e_0_0_0)
71156  e_1_1_1 = zeta*( c1*e_0_0_1 &
71157  +c2*e_1_0_1&
71158 
71159  )
71160  e_1_0_2 = zetb*( c1*e_0_0_1 &
71161  +c3*e_1_0_1&
71162 
71163  )
71164  e_2_1_1 = zeta*( c1*e_1_0_1 &
71165 
71166 
71167  )
71168  e_2_0_2 = zetb*( c1*e_1_0_1 &
71169 
71170 
71171  )
71172  e_0_1_2 = zetb*( &
71173  +c3*e_0_1_1&
71174  +2*e_1_1_1 &
71175  -2*e_0_1_0)
71176  e_1_1_2 = zetb*( c1*e_0_1_1 &
71177  +c3*e_1_1_1&
71178  +4*e_2_1_1 &
71179  -2*e_1_1_0)
71180  e_2_1_2 = zetb*( c1*e_1_1_1 &
71181  +c3*e_2_1_1&
71182 
71183  )
71184  e_3_1_2 = zetb*( c1*e_2_1_1 &
71185 
71186 
71187  )
71188  e_0_1_2 = zeta*( &
71189  +c2*e_0_0_2&
71190  +2*e_1_0_2 &
71191  )
71192  e_0_0_3 = zetb*( &
71193  +c3*e_0_0_2&
71194  +2*e_1_0_2 &
71195  -4*e_0_0_1)
71196  e_1_1_2 = zeta*( c1*e_0_0_2 &
71197  +c2*e_1_0_2&
71198  +4*e_2_0_2 &
71199  )
71200  e_1_0_3 = zetb*( c1*e_0_0_2 &
71201  +c3*e_1_0_2&
71202  +4*e_2_0_2 &
71203  -4*e_1_0_1)
71204  e_2_1_2 = zeta*( c1*e_1_0_2 &
71205  +c2*e_2_0_2&
71206 
71207  )
71208  e_2_0_3 = zetb*( c1*e_1_0_2 &
71209  +c3*e_2_0_2&
71210 
71211  )
71212  e_3_1_2 = zeta*( c1*e_2_0_2 &
71213 
71214 
71215  )
71216  e_3_0_3 = zetb*( c1*e_2_0_2 &
71217 
71218 
71219  )
71220  e_0_1_3 = zetb*( &
71221  +c3*e_0_1_2&
71222  +2*e_1_1_2 &
71223  -4*e_0_1_1)
71224  e_1_1_3 = zetb*( c1*e_0_1_2 &
71225  +c3*e_1_1_2&
71226  +4*e_2_1_2 &
71227  -4*e_1_1_1)
71228  e_2_1_3 = zetb*( c1*e_1_1_2 &
71229  +c3*e_2_1_2&
71230  +6*e_3_1_2 &
71231  -4*e_2_1_1)
71232  e_3_1_3 = zetb*( c1*e_2_1_2 &
71233  +c3*e_3_1_2&
71234 
71235  )
71236  e_4_1_3 = zetb*( c1*e_3_1_2 &
71237 
71238 
71239  )
71240  e_0_1_3 = zeta*( &
71241  +c2*e_0_0_3&
71242  +2*e_1_0_3 &
71243  )
71244  e_0_0_4 = zetb*( &
71245  +c3*e_0_0_3&
71246  +2*e_1_0_3 &
71247  -6*e_0_0_2)
71248  e_1_1_3 = zeta*( c1*e_0_0_3 &
71249  +c2*e_1_0_3&
71250  +4*e_2_0_3 &
71251  )
71252  e_1_0_4 = zetb*( c1*e_0_0_3 &
71253  +c3*e_1_0_3&
71254  +4*e_2_0_3 &
71255  -6*e_1_0_2)
71256  e_2_1_3 = zeta*( c1*e_1_0_3 &
71257  +c2*e_2_0_3&
71258  +6*e_3_0_3 &
71259  )
71260  e_2_0_4 = zetb*( c1*e_1_0_3 &
71261  +c3*e_2_0_3&
71262  +6*e_3_0_3 &
71263  -6*e_2_0_2)
71264  e_3_1_3 = zeta*( c1*e_2_0_3 &
71265  +c2*e_3_0_3&
71266 
71267  )
71268  e_3_0_4 = zetb*( c1*e_2_0_3 &
71269  +c3*e_3_0_3&
71270 
71271  )
71272  e_4_1_3 = zeta*( c1*e_3_0_3 &
71273 
71274 
71275  )
71276  e_4_0_4 = zetb*( c1*e_3_0_3 &
71277 
71278 
71279  )
71280  e_0_1_4 = zetb*( &
71281  +c3*e_0_1_3&
71282  +2*e_1_1_3 &
71283  -6*e_0_1_2)
71284  e_1_1_4 = zetb*( c1*e_0_1_3 &
71285  +c3*e_1_1_3&
71286  +4*e_2_1_3 &
71287  -6*e_1_1_2)
71288  e_2_1_4 = zetb*( c1*e_1_1_3 &
71289  +c3*e_2_1_3&
71290  +6*e_3_1_3 &
71291  -6*e_2_1_2)
71292  e_3_1_4 = zetb*( c1*e_2_1_3 &
71293  +c3*e_3_1_3&
71294  +8*e_4_1_3 &
71295  -6*e_3_1_2)
71296  e_4_1_4 = zetb*( c1*e_3_1_3 &
71297  +c3*e_4_1_3&
71298 
71299  )
71300  e_5_1_4 = zetb*( c1*e_4_1_3 &
71301 
71302 
71303  )
71304  e_0_1_4 = zeta*( &
71305  +c2*e_0_0_4&
71306  +2*e_1_0_4 &
71307  )
71308  e_1_1_4 = zeta*( c1*e_0_0_4 &
71309  +c2*e_1_0_4&
71310  +4*e_2_0_4 &
71311  )
71312  e_2_1_4 = zeta*( c1*e_1_0_4 &
71313  +c2*e_2_0_4&
71314  +6*e_3_0_4 &
71315  )
71316  e_3_1_4 = zeta*( c1*e_2_0_4 &
71317  +c2*e_3_0_4&
71318  +8*e_4_0_4 &
71319  )
71320  e_4_1_4 = zeta*( c1*e_3_0_4 &
71321  +c2*e_4_0_4&
71322 
71323  )
71324  e_5_1_4 = zeta*( c1*e_4_0_4 &
71325 
71326 
71327  )
71328 
71329  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
71330  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
71331  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
71332  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
71333  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
71334  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
71335  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
71336  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
71337  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
71338  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
71339  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
71340  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
71341  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
71342  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
71343  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
71344  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
71345  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
71346  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
71347  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
71348  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
71349  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
71350  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
71351  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
71352  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
71353  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
71354  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
71355  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
71356  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
71357  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
71358  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
71359  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
71360  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
71361  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
71362  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
71363  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
71364  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
71365  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
71366  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
71367  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
71368  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
71369  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
71370  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
71371  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
71372  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
71373  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
71374  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
71375  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
71376  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
71377  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
71378  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
71379  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
71380  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
71381  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
71382  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
71383  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
71384  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
71385  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
71386  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
71387  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
71388  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
71389  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
71390  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
71391  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
71392  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
71393  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
71394  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
71395  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
71396  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
71397  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
71398  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
71399  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
71400  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
71401  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
71402  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
71403  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
71404  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
71405  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
71406  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
71407  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
71408  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
71409  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
71410  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
71411  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
71412  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
71413  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
71414  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
71415  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
71416  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
71417  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
71418  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
71419  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
71420  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
71421  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
71422  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
71423  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
71424  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
71425  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
71426  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
71427  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
71428  s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
71429  s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
71430  s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
71431  s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
71432  s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
71433  s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
71434  r1 = r1 + dr
71435  END DO
71436 
71437  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
71438  END SUBROUTINE
71439  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_4_3_exp_1 ( &
71440  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
71441  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
71442  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
71443  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
71444  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
71445  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
71446  r_pow_t, r_tmp, rr1_delta, rr2_delta
71447 
71448  REAL(kind=dp) :: c1, c2, c3
71449  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
71450  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
71451  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
71452  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
71453  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
71454  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
71455  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
71456  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
71457  & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_0_4,&
71458  & e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4
71459 
71460  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
71461 
71462  dr = lgth
71463  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
71464 
71465  s_r(:, :, :) = 0.0_dp
71466 
71467  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
71468 
71469  h_to_c_0_0 = sqrt(alpha/pi)
71470 
71471  h_to_c_0_1 = 0.0_dp
71472  h_to_c_1_1 = +2*alpha*h_to_c_0_0
71473  h_to_c_0_2 = -1*h_to_c_1_1
71474  h_to_c_1_2 = +2*alpha*h_to_c_0_1
71475  h_to_c_2_2 = +2*alpha*h_to_c_1_1
71476  h_to_c_0_3 = -1*h_to_c_1_2
71477  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
71478  h_to_c_2_3 = +2*alpha*h_to_c_1_2
71479  h_to_c_3_3 = +2*alpha*h_to_c_2_2
71480  h_to_c_0_4 = -1*h_to_c_1_3
71481  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
71482  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
71483  h_to_c_3_4 = +2*alpha*h_to_c_2_3
71484  h_to_c_4_4 = +2*alpha*h_to_c_3_3
71485  h_to_c_0_5 = -1*h_to_c_1_4
71486  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
71487  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
71488  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
71489  h_to_c_4_5 = +2*alpha*h_to_c_3_4
71490  h_to_c_5_5 = +2*alpha*h_to_c_4_4
71491  h_to_c_0_6 = -1*h_to_c_1_5
71492  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
71493  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
71494  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
71495  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
71496  h_to_c_5_6 = +2*alpha*h_to_c_4_5
71497  h_to_c_6_6 = +2*alpha*h_to_c_5_5
71498  h_to_c_0_7 = -1*h_to_c_1_6
71499  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
71500  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
71501  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
71502  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
71503  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
71504  h_to_c_6_7 = +2*alpha*h_to_c_5_6
71505  h_to_c_7_7 = +2*alpha*h_to_c_6_6
71506  h_to_c_0_8 = -1*h_to_c_1_7
71507  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
71508  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
71509  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
71510  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
71511  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
71512  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
71513  h_to_c_7_8 = +2*alpha*h_to_c_6_7
71514  h_to_c_8_8 = +2*alpha*h_to_c_7_7
71515 
71516  exp_drsq = exp(-alpha*dr*dr)
71517  exp_2drsq = exp_drsq*exp_drsq
71518 
71519  rr1_delta = (ra - rb)/dr
71520 
71521  rr1_l = ceiling(-r_c(1) + rr1_delta)
71522  rr1_r = floor(r_c(1) + rr1_delta)
71523 
71524  r1 = rr1_l*dr
71525 
71526  alpha_e = zeta*zetb/(zeta + zetb)
71527 
71528  DO rr1 = rr1_l, rr1_r
71529  s_r_t_0 = 0.0_dp
71530  s_r_t2_0 = 0.0_dp
71531  s_r_t_1 = 0.0_dp
71532  s_r_t2_1 = 0.0_dp
71533  s_r_t_2 = 0.0_dp
71534  s_r_t2_2 = 0.0_dp
71535  s_r_t_3 = 0.0_dp
71536  s_r_t2_3 = 0.0_dp
71537  s_r_t_4 = 0.0_dp
71538  s_r_t2_4 = 0.0_dp
71539  s_r_t_5 = 0.0_dp
71540  s_r_t2_5 = 0.0_dp
71541  s_r_t_6 = 0.0_dp
71542  s_r_t2_6 = 0.0_dp
71543  s_r_t_7 = 0.0_dp
71544  s_r_t2_7 = 0.0_dp
71545  s_r_t_8 = 0.0_dp
71546  s_r_t2_8 = 0.0_dp
71547  r_tmp = r_offset + r1*zeta/(zeta + zetb)
71548  rr2_delta = -r_tmp/dr
71549 
71550  rr2_l = ceiling(-r_c(2) + rr2_delta)
71551  rr2_r = floor(r_c(2) + rr2_delta)
71552 
71553  r = r_tmp + (rr2_l)*dr
71554 
71555  exp2_2rdr = exp(-2*alpha*r*dr)
71556  exp2_rsq = exp(-alpha*r*r)
71557 
71558  DO rr2 = rr2_l, rr2_r
71559  r_pow_t = 1.0_dp
71560  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
71561  r_pow_t = r_pow_t*r
71562  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
71563  r_pow_t = r_pow_t*r
71564  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
71565  r_pow_t = r_pow_t*r
71566  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
71567  r_pow_t = r_pow_t*r
71568  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
71569  r_pow_t = r_pow_t*r
71570  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
71571  r_pow_t = r_pow_t*r
71572  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
71573  r_pow_t = r_pow_t*r
71574  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
71575  r_pow_t = r_pow_t*r
71576  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
71577 
71578  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
71579  exp2_2rdr = exp2_2rdr*exp_2drsq
71580  r = r + dr
71581  END DO
71582 
71583  ! C --> H
71584  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
71585  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
71586  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
71587  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
71588  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
71589  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
71590  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
71591  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
71592  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
71593  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
71594  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
71595  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
71596  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
71597  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
71598  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
71599  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
71600  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
71601  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
71602  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
71603  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
71604  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
71605  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
71606  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
71607  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
71608  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
71609  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
71610  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
71611  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
71612  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
71613  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
71614  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
71615  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
71616  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
71617  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
71618  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
71619  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
71620  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
71621  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
71622  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
71623  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
71624  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
71625  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
71626  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
71627  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
71628  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
71629 
71630  ! H --> HH
71631  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
71632 
71633  c1 = 1.0_dp/(zeta + zetb)
71634  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
71635  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
71636 
71637  e_0_1_0 = zeta*( &
71638  +c2*e_0_0_0&
71639 
71640  )
71641  e_0_0_1 = zetb*( &
71642  +c3*e_0_0_0&
71643 
71644  )
71645  e_1_1_0 = zeta*( c1*e_0_0_0 &
71646 
71647 
71648  )
71649  e_1_0_1 = zetb*( c1*e_0_0_0 &
71650 
71651 
71652  )
71653  e_0_1_1 = zetb*( &
71654  +c3*e_0_1_0&
71655  +2*e_1_1_0 &
71656  )
71657  e_1_1_1 = zetb*( c1*e_0_1_0 &
71658  +c3*e_1_1_0&
71659 
71660  )
71661  e_2_1_1 = zetb*( c1*e_1_1_0 &
71662 
71663 
71664  )
71665  e_0_1_1 = zeta*( &
71666  +c2*e_0_0_1&
71667  +2*e_1_0_1 &
71668  )
71669  e_0_0_2 = zetb*( &
71670  +c3*e_0_0_1&
71671  +2*e_1_0_1 &
71672  -2*e_0_0_0)
71673  e_1_1_1 = zeta*( c1*e_0_0_1 &
71674  +c2*e_1_0_1&
71675 
71676  )
71677  e_1_0_2 = zetb*( c1*e_0_0_1 &
71678  +c3*e_1_0_1&
71679 
71680  )
71681  e_2_1_1 = zeta*( c1*e_1_0_1 &
71682 
71683 
71684  )
71685  e_2_0_2 = zetb*( c1*e_1_0_1 &
71686 
71687 
71688  )
71689  e_0_1_2 = zetb*( &
71690  +c3*e_0_1_1&
71691  +2*e_1_1_1 &
71692  -2*e_0_1_0)
71693  e_1_1_2 = zetb*( c1*e_0_1_1 &
71694  +c3*e_1_1_1&
71695  +4*e_2_1_1 &
71696  -2*e_1_1_0)
71697  e_2_1_2 = zetb*( c1*e_1_1_1 &
71698  +c3*e_2_1_1&
71699 
71700  )
71701  e_3_1_2 = zetb*( c1*e_2_1_1 &
71702 
71703 
71704  )
71705  e_0_1_2 = zeta*( &
71706  +c2*e_0_0_2&
71707  +2*e_1_0_2 &
71708  )
71709  e_0_0_3 = zetb*( &
71710  +c3*e_0_0_2&
71711  +2*e_1_0_2 &
71712  -4*e_0_0_1)
71713  e_1_1_2 = zeta*( c1*e_0_0_2 &
71714  +c2*e_1_0_2&
71715  +4*e_2_0_2 &
71716  )
71717  e_1_0_3 = zetb*( c1*e_0_0_2 &
71718  +c3*e_1_0_2&
71719  +4*e_2_0_2 &
71720  -4*e_1_0_1)
71721  e_2_1_2 = zeta*( c1*e_1_0_2 &
71722  +c2*e_2_0_2&
71723 
71724  )
71725  e_2_0_3 = zetb*( c1*e_1_0_2 &
71726  +c3*e_2_0_2&
71727 
71728  )
71729  e_3_1_2 = zeta*( c1*e_2_0_2 &
71730 
71731 
71732  )
71733  e_3_0_3 = zetb*( c1*e_2_0_2 &
71734 
71735 
71736  )
71737  e_0_1_3 = zetb*( &
71738  +c3*e_0_1_2&
71739  +2*e_1_1_2 &
71740  -4*e_0_1_1)
71741  e_1_1_3 = zetb*( c1*e_0_1_2 &
71742  +c3*e_1_1_2&
71743  +4*e_2_1_2 &
71744  -4*e_1_1_1)
71745  e_2_1_3 = zetb*( c1*e_1_1_2 &
71746  +c3*e_2_1_2&
71747  +6*e_3_1_2 &
71748  -4*e_2_1_1)
71749  e_3_1_3 = zetb*( c1*e_2_1_2 &
71750  +c3*e_3_1_2&
71751 
71752  )
71753  e_4_1_3 = zetb*( c1*e_3_1_2 &
71754 
71755 
71756  )
71757  e_0_1_3 = zeta*( &
71758  +c2*e_0_0_3&
71759  +2*e_1_0_3 &
71760  )
71761  e_0_0_4 = zetb*( &
71762  +c3*e_0_0_3&
71763  +2*e_1_0_3 &
71764  -6*e_0_0_2)
71765  e_1_1_3 = zeta*( c1*e_0_0_3 &
71766  +c2*e_1_0_3&
71767  +4*e_2_0_3 &
71768  )
71769  e_1_0_4 = zetb*( c1*e_0_0_3 &
71770  +c3*e_1_0_3&
71771  +4*e_2_0_3 &
71772  -6*e_1_0_2)
71773  e_2_1_3 = zeta*( c1*e_1_0_3 &
71774  +c2*e_2_0_3&
71775  +6*e_3_0_3 &
71776  )
71777  e_2_0_4 = zetb*( c1*e_1_0_3 &
71778  +c3*e_2_0_3&
71779  +6*e_3_0_3 &
71780  -6*e_2_0_2)
71781  e_3_1_3 = zeta*( c1*e_2_0_3 &
71782  +c2*e_3_0_3&
71783 
71784  )
71785  e_3_0_4 = zetb*( c1*e_2_0_3 &
71786  +c3*e_3_0_3&
71787 
71788  )
71789  e_4_1_3 = zeta*( c1*e_3_0_3 &
71790 
71791 
71792  )
71793  e_4_0_4 = zetb*( c1*e_3_0_3 &
71794 
71795 
71796  )
71797  e_0_1_4 = zetb*( &
71798  +c3*e_0_1_3&
71799  +2*e_1_1_3 &
71800  -6*e_0_1_2)
71801  e_1_1_4 = zetb*( c1*e_0_1_3 &
71802  +c3*e_1_1_3&
71803  +4*e_2_1_3 &
71804  -6*e_1_1_2)
71805  e_2_1_4 = zetb*( c1*e_1_1_3 &
71806  +c3*e_2_1_3&
71807  +6*e_3_1_3 &
71808  -6*e_2_1_2)
71809  e_3_1_4 = zetb*( c1*e_2_1_3 &
71810  +c3*e_3_1_3&
71811  +8*e_4_1_3 &
71812  -6*e_3_1_2)
71813  e_4_1_4 = zetb*( c1*e_3_1_3 &
71814  +c3*e_4_1_3&
71815 
71816  )
71817  e_5_1_4 = zetb*( c1*e_4_1_3 &
71818 
71819 
71820  )
71821  e_0_1_4 = zeta*( &
71822  +c2*e_0_0_4&
71823  +2*e_1_0_4 &
71824  )
71825  e_1_1_4 = zeta*( c1*e_0_0_4 &
71826  +c2*e_1_0_4&
71827  +4*e_2_0_4 &
71828  )
71829  e_2_1_4 = zeta*( c1*e_1_0_4 &
71830  +c2*e_2_0_4&
71831  +6*e_3_0_4 &
71832  )
71833  e_3_1_4 = zeta*( c1*e_2_0_4 &
71834  +c2*e_3_0_4&
71835  +8*e_4_0_4 &
71836  )
71837  e_4_1_4 = zeta*( c1*e_3_0_4 &
71838  +c2*e_4_0_4&
71839 
71840  )
71841  e_5_1_4 = zeta*( c1*e_4_0_4 &
71842 
71843 
71844  )
71845 
71846  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
71847  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
71848  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
71849  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
71850  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
71851  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
71852  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
71853  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
71854  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
71855  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
71856  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
71857  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
71858  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
71859  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
71860  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
71861  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
71862  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
71863  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
71864  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
71865  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
71866  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
71867  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
71868  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
71869  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
71870  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
71871  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
71872  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
71873  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
71874  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
71875  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
71876  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
71877  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
71878  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
71879  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
71880  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
71881  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
71882  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
71883  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
71884  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
71885  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
71886  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
71887  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
71888  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
71889  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
71890  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
71891  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
71892  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
71893  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
71894  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
71895  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
71896  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
71897  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
71898  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
71899  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
71900  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
71901  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
71902  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
71903  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
71904  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
71905  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
71906  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
71907  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
71908  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
71909  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
71910  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
71911  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
71912  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
71913  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
71914  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
71915  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
71916  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
71917  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
71918  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
71919  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
71920  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
71921  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
71922  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
71923  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
71924  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
71925  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
71926  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
71927  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
71928  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
71929  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
71930  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
71931  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
71932  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
71933  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
71934  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
71935  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
71936  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
71937  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
71938  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
71939  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
71940  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
71941  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
71942  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
71943  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
71944  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
71945  s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
71946  s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
71947  s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
71948  s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
71949  s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
71950  s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
71951  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
71952  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
71953  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
71954  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
71955  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
71956  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
71957  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
71958  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
71959  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
71960  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
71961  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
71962  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
71963  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
71964  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
71965  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
71966  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
71967  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
71968  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
71969  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
71970  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
71971  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
71972  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
71973  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
71974  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
71975  s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
71976  s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
71977  s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
71978  s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
71979  s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
71980  s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
71981  s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
71982  s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
71983  s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
71984  s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
71985  s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
71986  r1 = r1 + dr
71987  END DO
71988 
71989  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
71990  END SUBROUTINE
71991  PURE SUBROUTINE pgf_sum_3c_rspace_1d_1_4_4_exp_1 ( &
71992  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
71993  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
71994  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
71995  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
71996  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
71997  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
71998  r_pow_t, r_tmp, rr1_delta, rr2_delta
71999 
72000  REAL(kind=dp) :: c1, c2, c3
72001  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
72002  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
72003  & s_r_t2_9
72004  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
72005  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
72006  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
72007  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
72008  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
72009  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
72010  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2,&
72011  & e_1_1_2, e_2_1_2, e_3_1_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_0_4,&
72012  & e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4
72013 
72014  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
72015 
72016  dr = lgth
72017  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
72018 
72019  s_r(:, :, :) = 0.0_dp
72020 
72021  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
72022 
72023  h_to_c_0_0 = sqrt(alpha/pi)
72024 
72025  h_to_c_0_1 = 0.0_dp
72026  h_to_c_1_1 = +2*alpha*h_to_c_0_0
72027  h_to_c_0_2 = -1*h_to_c_1_1
72028  h_to_c_1_2 = +2*alpha*h_to_c_0_1
72029  h_to_c_2_2 = +2*alpha*h_to_c_1_1
72030  h_to_c_0_3 = -1*h_to_c_1_2
72031  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
72032  h_to_c_2_3 = +2*alpha*h_to_c_1_2
72033  h_to_c_3_3 = +2*alpha*h_to_c_2_2
72034  h_to_c_0_4 = -1*h_to_c_1_3
72035  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
72036  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
72037  h_to_c_3_4 = +2*alpha*h_to_c_2_3
72038  h_to_c_4_4 = +2*alpha*h_to_c_3_3
72039  h_to_c_0_5 = -1*h_to_c_1_4
72040  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
72041  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
72042  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
72043  h_to_c_4_5 = +2*alpha*h_to_c_3_4
72044  h_to_c_5_5 = +2*alpha*h_to_c_4_4
72045  h_to_c_0_6 = -1*h_to_c_1_5
72046  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
72047  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
72048  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
72049  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
72050  h_to_c_5_6 = +2*alpha*h_to_c_4_5
72051  h_to_c_6_6 = +2*alpha*h_to_c_5_5
72052  h_to_c_0_7 = -1*h_to_c_1_6
72053  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
72054  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
72055  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
72056  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
72057  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
72058  h_to_c_6_7 = +2*alpha*h_to_c_5_6
72059  h_to_c_7_7 = +2*alpha*h_to_c_6_6
72060  h_to_c_0_8 = -1*h_to_c_1_7
72061  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
72062  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
72063  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
72064  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
72065  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
72066  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
72067  h_to_c_7_8 = +2*alpha*h_to_c_6_7
72068  h_to_c_8_8 = +2*alpha*h_to_c_7_7
72069  h_to_c_0_9 = -1*h_to_c_1_8
72070  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
72071  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
72072  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
72073  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
72074  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
72075  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
72076  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
72077  h_to_c_8_9 = +2*alpha*h_to_c_7_8
72078  h_to_c_9_9 = +2*alpha*h_to_c_8_8
72079 
72080  exp_drsq = exp(-alpha*dr*dr)
72081  exp_2drsq = exp_drsq*exp_drsq
72082 
72083  rr1_delta = (ra - rb)/dr
72084 
72085  rr1_l = ceiling(-r_c(1) + rr1_delta)
72086  rr1_r = floor(r_c(1) + rr1_delta)
72087 
72088  r1 = rr1_l*dr
72089 
72090  alpha_e = zeta*zetb/(zeta + zetb)
72091 
72092  DO rr1 = rr1_l, rr1_r
72093  s_r_t_0 = 0.0_dp
72094  s_r_t2_0 = 0.0_dp
72095  s_r_t_1 = 0.0_dp
72096  s_r_t2_1 = 0.0_dp
72097  s_r_t_2 = 0.0_dp
72098  s_r_t2_2 = 0.0_dp
72099  s_r_t_3 = 0.0_dp
72100  s_r_t2_3 = 0.0_dp
72101  s_r_t_4 = 0.0_dp
72102  s_r_t2_4 = 0.0_dp
72103  s_r_t_5 = 0.0_dp
72104  s_r_t2_5 = 0.0_dp
72105  s_r_t_6 = 0.0_dp
72106  s_r_t2_6 = 0.0_dp
72107  s_r_t_7 = 0.0_dp
72108  s_r_t2_7 = 0.0_dp
72109  s_r_t_8 = 0.0_dp
72110  s_r_t2_8 = 0.0_dp
72111  s_r_t_9 = 0.0_dp
72112  s_r_t2_9 = 0.0_dp
72113  r_tmp = r_offset + r1*zeta/(zeta + zetb)
72114  rr2_delta = -r_tmp/dr
72115 
72116  rr2_l = ceiling(-r_c(2) + rr2_delta)
72117  rr2_r = floor(r_c(2) + rr2_delta)
72118 
72119  r = r_tmp + (rr2_l)*dr
72120 
72121  exp2_2rdr = exp(-2*alpha*r*dr)
72122  exp2_rsq = exp(-alpha*r*r)
72123 
72124  DO rr2 = rr2_l, rr2_r
72125  r_pow_t = 1.0_dp
72126  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
72127  r_pow_t = r_pow_t*r
72128  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
72129  r_pow_t = r_pow_t*r
72130  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
72131  r_pow_t = r_pow_t*r
72132  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
72133  r_pow_t = r_pow_t*r
72134  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
72135  r_pow_t = r_pow_t*r
72136  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
72137  r_pow_t = r_pow_t*r
72138  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
72139  r_pow_t = r_pow_t*r
72140  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
72141  r_pow_t = r_pow_t*r
72142  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
72143  r_pow_t = r_pow_t*r
72144  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
72145 
72146  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
72147  exp2_2rdr = exp2_2rdr*exp_2drsq
72148  r = r + dr
72149  END DO
72150 
72151  ! C --> H
72152  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
72153  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
72154  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
72155  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
72156  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
72157  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
72158  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
72159  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
72160  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
72161  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
72162  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
72163  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
72164  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
72165  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
72166  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
72167  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
72168  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
72169  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
72170  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
72171  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
72172  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
72173  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
72174  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
72175  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
72176  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
72177  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
72178  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
72179  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
72180  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
72181  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
72182  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
72183  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
72184  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
72185  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
72186  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
72187  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
72188  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
72189  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
72190  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
72191  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
72192  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
72193  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
72194  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
72195  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
72196  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
72197  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
72198  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
72199  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
72200  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
72201  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
72202  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
72203  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
72204  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
72205  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
72206  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
72207 
72208  ! H --> HH
72209  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
72210 
72211  c1 = 1.0_dp/(zeta + zetb)
72212  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
72213  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
72214 
72215  e_0_1_0 = zeta*( &
72216  +c2*e_0_0_0&
72217 
72218  )
72219  e_0_0_1 = zetb*( &
72220  +c3*e_0_0_0&
72221 
72222  )
72223  e_1_1_0 = zeta*( c1*e_0_0_0 &
72224 
72225 
72226  )
72227  e_1_0_1 = zetb*( c1*e_0_0_0 &
72228 
72229 
72230  )
72231  e_0_1_1 = zetb*( &
72232  +c3*e_0_1_0&
72233  +2*e_1_1_0 &
72234  )
72235  e_1_1_1 = zetb*( c1*e_0_1_0 &
72236  +c3*e_1_1_0&
72237 
72238  )
72239  e_2_1_1 = zetb*( c1*e_1_1_0 &
72240 
72241 
72242  )
72243  e_0_1_1 = zeta*( &
72244  +c2*e_0_0_1&
72245  +2*e_1_0_1 &
72246  )
72247  e_0_0_2 = zetb*( &
72248  +c3*e_0_0_1&
72249  +2*e_1_0_1 &
72250  -2*e_0_0_0)
72251  e_1_1_1 = zeta*( c1*e_0_0_1 &
72252  +c2*e_1_0_1&
72253 
72254  )
72255  e_1_0_2 = zetb*( c1*e_0_0_1 &
72256  +c3*e_1_0_1&
72257 
72258  )
72259  e_2_1_1 = zeta*( c1*e_1_0_1 &
72260 
72261 
72262  )
72263  e_2_0_2 = zetb*( c1*e_1_0_1 &
72264 
72265 
72266  )
72267  e_0_1_2 = zetb*( &
72268  +c3*e_0_1_1&
72269  +2*e_1_1_1 &
72270  -2*e_0_1_0)
72271  e_1_1_2 = zetb*( c1*e_0_1_1 &
72272  +c3*e_1_1_1&
72273  +4*e_2_1_1 &
72274  -2*e_1_1_0)
72275  e_2_1_2 = zetb*( c1*e_1_1_1 &
72276  +c3*e_2_1_1&
72277 
72278  )
72279  e_3_1_2 = zetb*( c1*e_2_1_1 &
72280 
72281 
72282  )
72283  e_0_1_2 = zeta*( &
72284  +c2*e_0_0_2&
72285  +2*e_1_0_2 &
72286  )
72287  e_0_0_3 = zetb*( &
72288  +c3*e_0_0_2&
72289  +2*e_1_0_2 &
72290  -4*e_0_0_1)
72291  e_1_1_2 = zeta*( c1*e_0_0_2 &
72292  +c2*e_1_0_2&
72293  +4*e_2_0_2 &
72294  )
72295  e_1_0_3 = zetb*( c1*e_0_0_2 &
72296  +c3*e_1_0_2&
72297  +4*e_2_0_2 &
72298  -4*e_1_0_1)
72299  e_2_1_2 = zeta*( c1*e_1_0_2 &
72300  +c2*e_2_0_2&
72301 
72302  )
72303  e_2_0_3 = zetb*( c1*e_1_0_2 &
72304  +c3*e_2_0_2&
72305 
72306  )
72307  e_3_1_2 = zeta*( c1*e_2_0_2 &
72308 
72309 
72310  )
72311  e_3_0_3 = zetb*( c1*e_2_0_2 &
72312 
72313 
72314  )
72315  e_0_1_3 = zetb*( &
72316  +c3*e_0_1_2&
72317  +2*e_1_1_2 &
72318  -4*e_0_1_1)
72319  e_1_1_3 = zetb*( c1*e_0_1_2 &
72320  +c3*e_1_1_2&
72321  +4*e_2_1_2 &
72322  -4*e_1_1_1)
72323  e_2_1_3 = zetb*( c1*e_1_1_2 &
72324  +c3*e_2_1_2&
72325  +6*e_3_1_2 &
72326  -4*e_2_1_1)
72327  e_3_1_3 = zetb*( c1*e_2_1_2 &
72328  +c3*e_3_1_2&
72329 
72330  )
72331  e_4_1_3 = zetb*( c1*e_3_1_2 &
72332 
72333 
72334  )
72335  e_0_1_3 = zeta*( &
72336  +c2*e_0_0_3&
72337  +2*e_1_0_3 &
72338  )
72339  e_0_0_4 = zetb*( &
72340  +c3*e_0_0_3&
72341  +2*e_1_0_3 &
72342  -6*e_0_0_2)
72343  e_1_1_3 = zeta*( c1*e_0_0_3 &
72344  +c2*e_1_0_3&
72345  +4*e_2_0_3 &
72346  )
72347  e_1_0_4 = zetb*( c1*e_0_0_3 &
72348  +c3*e_1_0_3&
72349  +4*e_2_0_3 &
72350  -6*e_1_0_2)
72351  e_2_1_3 = zeta*( c1*e_1_0_3 &
72352  +c2*e_2_0_3&
72353  +6*e_3_0_3 &
72354  )
72355  e_2_0_4 = zetb*( c1*e_1_0_3 &
72356  +c3*e_2_0_3&
72357  +6*e_3_0_3 &
72358  -6*e_2_0_2)
72359  e_3_1_3 = zeta*( c1*e_2_0_3 &
72360  +c2*e_3_0_3&
72361 
72362  )
72363  e_3_0_4 = zetb*( c1*e_2_0_3 &
72364  +c3*e_3_0_3&
72365 
72366  )
72367  e_4_1_3 = zeta*( c1*e_3_0_3 &
72368 
72369 
72370  )
72371  e_4_0_4 = zetb*( c1*e_3_0_3 &
72372 
72373 
72374  )
72375  e_0_1_4 = zetb*( &
72376  +c3*e_0_1_3&
72377  +2*e_1_1_3 &
72378  -6*e_0_1_2)
72379  e_1_1_4 = zetb*( c1*e_0_1_3 &
72380  +c3*e_1_1_3&
72381  +4*e_2_1_3 &
72382  -6*e_1_1_2)
72383  e_2_1_4 = zetb*( c1*e_1_1_3 &
72384  +c3*e_2_1_3&
72385  +6*e_3_1_3 &
72386  -6*e_2_1_2)
72387  e_3_1_4 = zetb*( c1*e_2_1_3 &
72388  +c3*e_3_1_3&
72389  +8*e_4_1_3 &
72390  -6*e_3_1_2)
72391  e_4_1_4 = zetb*( c1*e_3_1_3 &
72392  +c3*e_4_1_3&
72393 
72394  )
72395  e_5_1_4 = zetb*( c1*e_4_1_3 &
72396 
72397 
72398  )
72399  e_0_1_4 = zeta*( &
72400  +c2*e_0_0_4&
72401  +2*e_1_0_4 &
72402  )
72403  e_1_1_4 = zeta*( c1*e_0_0_4 &
72404  +c2*e_1_0_4&
72405  +4*e_2_0_4 &
72406  )
72407  e_2_1_4 = zeta*( c1*e_1_0_4 &
72408  +c2*e_2_0_4&
72409  +6*e_3_0_4 &
72410  )
72411  e_3_1_4 = zeta*( c1*e_2_0_4 &
72412  +c2*e_3_0_4&
72413  +8*e_4_0_4 &
72414  )
72415  e_4_1_4 = zeta*( c1*e_3_0_4 &
72416  +c2*e_4_0_4&
72417 
72418  )
72419  e_5_1_4 = zeta*( c1*e_4_0_4 &
72420 
72421 
72422  )
72423 
72424  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
72425  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
72426  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
72427  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
72428  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
72429  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
72430  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
72431  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
72432  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
72433  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
72434  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
72435  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
72436  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
72437  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
72438  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
72439  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
72440  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
72441  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
72442  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
72443  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
72444  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
72445  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
72446  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
72447  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
72448  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
72449  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
72450  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
72451  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
72452  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
72453  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
72454  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
72455  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
72456  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
72457  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
72458  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
72459  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
72460  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
72461  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
72462  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
72463  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
72464  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
72465  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
72466  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
72467  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
72468  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
72469  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
72470  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
72471  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
72472  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
72473  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
72474  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
72475  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
72476  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
72477  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
72478  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
72479  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
72480  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
72481  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
72482  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
72483  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
72484  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
72485  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
72486  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
72487  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
72488  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
72489  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
72490  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
72491  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
72492  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
72493  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
72494  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
72495  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
72496  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
72497  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
72498  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
72499  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
72500  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
72501  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
72502  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
72503  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
72504  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
72505  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
72506  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
72507  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
72508  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
72509  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
72510  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
72511  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
72512  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
72513  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
72514  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
72515  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
72516  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
72517  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
72518  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
72519  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
72520  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
72521  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
72522  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
72523  s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
72524  s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
72525  s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
72526  s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
72527  s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
72528  s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
72529  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
72530  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
72531  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
72532  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
72533  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
72534  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
72535  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
72536  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
72537  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
72538  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
72539  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
72540  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
72541  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
72542  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
72543  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
72544  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
72545  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
72546  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
72547  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
72548  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
72549  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
72550  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
72551  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
72552  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
72553  s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
72554  s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
72555  s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
72556  s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
72557  s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
72558  s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
72559  s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
72560  s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
72561  s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
72562  s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
72563  s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
72564  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
72565  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
72566  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
72567  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
72568  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
72569  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
72570  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
72571  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
72572  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
72573  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
72574  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
72575  s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
72576  s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
72577  s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
72578  s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
72579  s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
72580  s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
72581  s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
72582  s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
72583  s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
72584  s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
72585  s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
72586  s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
72587  s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
72588  s_r(0, 4, 4) = s_r(0, 4, 4) + e_0_0_4*(1)*s_r_t2_4 ! cost: 5 flops
72589  s_r(0, 4, 4) = s_r(0, 4, 4) + e_1_0_4*(1)*s_r_t2_5 ! cost: 5 flops
72590  s_r(0, 4, 4) = s_r(0, 4, 4) + e_2_0_4*(1)*s_r_t2_6 ! cost: 5 flops
72591  s_r(0, 4, 4) = s_r(0, 4, 4) + e_3_0_4*(1)*s_r_t2_7 ! cost: 5 flops
72592  s_r(0, 4, 4) = s_r(0, 4, 4) + e_4_0_4*(1)*s_r_t2_8 ! cost: 5 flops
72593  s_r(1, 4, 4) = s_r(1, 4, 4) + e_0_1_4*(1)*s_r_t2_4 ! cost: 5 flops
72594  s_r(1, 4, 4) = s_r(1, 4, 4) + e_1_1_4*(1)*s_r_t2_5 ! cost: 5 flops
72595  s_r(1, 4, 4) = s_r(1, 4, 4) + e_2_1_4*(1)*s_r_t2_6 ! cost: 5 flops
72596  s_r(1, 4, 4) = s_r(1, 4, 4) + e_3_1_4*(1)*s_r_t2_7 ! cost: 5 flops
72597  s_r(1, 4, 4) = s_r(1, 4, 4) + e_4_1_4*(1)*s_r_t2_8 ! cost: 5 flops
72598  s_r(1, 4, 4) = s_r(1, 4, 4) + e_5_1_4*(1)*s_r_t2_9 ! cost: 5 flops
72599  r1 = r1 + dr
72600  END DO
72601 
72602  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
72603  END SUBROUTINE
72604  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_0_0_exp_1 ( &
72605  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
72606  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
72607  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
72608  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
72609  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
72610  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
72611  r_pow_t, r_tmp, rr1_delta, rr2_delta
72612 
72613  REAL(kind=dp) :: c1, c2, c3
72614  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2
72615  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2
72616  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2
72617  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0
72618 
72619  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
72620 
72621  dr = lgth
72622  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
72623 
72624  s_r(:, :, :) = 0.0_dp
72625 
72626  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
72627 
72628  h_to_c_0_0 = sqrt(alpha/pi)
72629 
72630  h_to_c_0_1 = 0.0_dp
72631  h_to_c_1_1 = +2*alpha*h_to_c_0_0
72632  h_to_c_0_2 = -1*h_to_c_1_1
72633  h_to_c_1_2 = +2*alpha*h_to_c_0_1
72634  h_to_c_2_2 = +2*alpha*h_to_c_1_1
72635 
72636  exp_drsq = exp(-alpha*dr*dr)
72637  exp_2drsq = exp_drsq*exp_drsq
72638 
72639  rr1_delta = (ra - rb)/dr
72640 
72641  rr1_l = ceiling(-r_c(1) + rr1_delta)
72642  rr1_r = floor(r_c(1) + rr1_delta)
72643 
72644  r1 = rr1_l*dr
72645 
72646  alpha_e = zeta*zetb/(zeta + zetb)
72647 
72648  DO rr1 = rr1_l, rr1_r
72649  s_r_t_0 = 0.0_dp
72650  s_r_t2_0 = 0.0_dp
72651  s_r_t_1 = 0.0_dp
72652  s_r_t2_1 = 0.0_dp
72653  s_r_t_2 = 0.0_dp
72654  s_r_t2_2 = 0.0_dp
72655  r_tmp = r_offset + r1*zeta/(zeta + zetb)
72656  rr2_delta = -r_tmp/dr
72657 
72658  rr2_l = ceiling(-r_c(2) + rr2_delta)
72659  rr2_r = floor(r_c(2) + rr2_delta)
72660 
72661  r = r_tmp + (rr2_l)*dr
72662 
72663  exp2_2rdr = exp(-2*alpha*r*dr)
72664  exp2_rsq = exp(-alpha*r*r)
72665 
72666  DO rr2 = rr2_l, rr2_r
72667  r_pow_t = 1.0_dp
72668  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
72669  r_pow_t = r_pow_t*r
72670  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
72671  r_pow_t = r_pow_t*r
72672  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
72673 
72674  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
72675  exp2_2rdr = exp2_2rdr*exp_2drsq
72676  r = r + dr
72677  END DO
72678 
72679  ! C --> H
72680  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
72681  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
72682  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
72683  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
72684  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
72685  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
72686 
72687  ! H --> HH
72688  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
72689 
72690  c1 = 1.0_dp/(zeta + zetb)
72691  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
72692  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
72693 
72694  e_0_1_0 = zeta*( &
72695  +c2*e_0_0_0&
72696 
72697  )
72698  e_1_1_0 = zeta*( c1*e_0_0_0 &
72699 
72700 
72701  )
72702  e_0_2_0 = zeta*( &
72703  +c2*e_0_1_0&
72704  +2*e_1_1_0 &
72705  -2*e_0_0_0)
72706  e_1_2_0 = zeta*( c1*e_0_1_0 &
72707  +c2*e_1_1_0&
72708 
72709  )
72710  e_2_2_0 = zeta*( c1*e_1_1_0 &
72711 
72712 
72713  )
72714 
72715  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
72716  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
72717  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
72718  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
72719  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
72720  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
72721  r1 = r1 + dr
72722  END DO
72723 
72724  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
72725  END SUBROUTINE
72726  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_0_1_exp_1 ( &
72727  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
72728  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
72729  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
72730  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
72731  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
72732  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
72733  r_pow_t, r_tmp, rr1_delta, rr2_delta
72734 
72735  REAL(kind=dp) :: c1, c2, c3
72736  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
72737  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
72738  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
72739  & h_to_c_3_3
72740  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0
72741 
72742  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
72743 
72744  dr = lgth
72745  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
72746 
72747  s_r(:, :, :) = 0.0_dp
72748 
72749  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
72750 
72751  h_to_c_0_0 = sqrt(alpha/pi)
72752 
72753  h_to_c_0_1 = 0.0_dp
72754  h_to_c_1_1 = +2*alpha*h_to_c_0_0
72755  h_to_c_0_2 = -1*h_to_c_1_1
72756  h_to_c_1_2 = +2*alpha*h_to_c_0_1
72757  h_to_c_2_2 = +2*alpha*h_to_c_1_1
72758  h_to_c_0_3 = -1*h_to_c_1_2
72759  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
72760  h_to_c_2_3 = +2*alpha*h_to_c_1_2
72761  h_to_c_3_3 = +2*alpha*h_to_c_2_2
72762 
72763  exp_drsq = exp(-alpha*dr*dr)
72764  exp_2drsq = exp_drsq*exp_drsq
72765 
72766  rr1_delta = (ra - rb)/dr
72767 
72768  rr1_l = ceiling(-r_c(1) + rr1_delta)
72769  rr1_r = floor(r_c(1) + rr1_delta)
72770 
72771  r1 = rr1_l*dr
72772 
72773  alpha_e = zeta*zetb/(zeta + zetb)
72774 
72775  DO rr1 = rr1_l, rr1_r
72776  s_r_t_0 = 0.0_dp
72777  s_r_t2_0 = 0.0_dp
72778  s_r_t_1 = 0.0_dp
72779  s_r_t2_1 = 0.0_dp
72780  s_r_t_2 = 0.0_dp
72781  s_r_t2_2 = 0.0_dp
72782  s_r_t_3 = 0.0_dp
72783  s_r_t2_3 = 0.0_dp
72784  r_tmp = r_offset + r1*zeta/(zeta + zetb)
72785  rr2_delta = -r_tmp/dr
72786 
72787  rr2_l = ceiling(-r_c(2) + rr2_delta)
72788  rr2_r = floor(r_c(2) + rr2_delta)
72789 
72790  r = r_tmp + (rr2_l)*dr
72791 
72792  exp2_2rdr = exp(-2*alpha*r*dr)
72793  exp2_rsq = exp(-alpha*r*r)
72794 
72795  DO rr2 = rr2_l, rr2_r
72796  r_pow_t = 1.0_dp
72797  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
72798  r_pow_t = r_pow_t*r
72799  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
72800  r_pow_t = r_pow_t*r
72801  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
72802  r_pow_t = r_pow_t*r
72803  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
72804 
72805  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
72806  exp2_2rdr = exp2_2rdr*exp_2drsq
72807  r = r + dr
72808  END DO
72809 
72810  ! C --> H
72811  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
72812  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
72813  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
72814  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
72815  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
72816  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
72817  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
72818  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
72819  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
72820  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
72821 
72822  ! H --> HH
72823  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
72824 
72825  c1 = 1.0_dp/(zeta + zetb)
72826  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
72827  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
72828 
72829  e_0_1_0 = zeta*( &
72830  +c2*e_0_0_0&
72831 
72832  )
72833  e_1_1_0 = zeta*( c1*e_0_0_0 &
72834 
72835 
72836  )
72837  e_0_2_0 = zeta*( &
72838  +c2*e_0_1_0&
72839  +2*e_1_1_0 &
72840  -2*e_0_0_0)
72841  e_1_2_0 = zeta*( c1*e_0_1_0 &
72842  +c2*e_1_1_0&
72843 
72844  )
72845  e_2_2_0 = zeta*( c1*e_1_1_0 &
72846 
72847 
72848  )
72849 
72850  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
72851  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
72852  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
72853  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
72854  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
72855  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
72856  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
72857  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
72858  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
72859  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
72860  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
72861  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
72862  r1 = r1 + dr
72863  END DO
72864 
72865  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
72866  END SUBROUTINE
72867  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_0_2_exp_1 ( &
72868  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
72869  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
72870  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
72871  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
72872  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
72873  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
72874  r_pow_t, r_tmp, rr1_delta, rr2_delta
72875 
72876  REAL(kind=dp) :: c1, c2, c3
72877  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
72878  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
72879  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
72880  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
72881  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0
72882 
72883  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
72884 
72885  dr = lgth
72886  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
72887 
72888  s_r(:, :, :) = 0.0_dp
72889 
72890  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
72891 
72892  h_to_c_0_0 = sqrt(alpha/pi)
72893 
72894  h_to_c_0_1 = 0.0_dp
72895  h_to_c_1_1 = +2*alpha*h_to_c_0_0
72896  h_to_c_0_2 = -1*h_to_c_1_1
72897  h_to_c_1_2 = +2*alpha*h_to_c_0_1
72898  h_to_c_2_2 = +2*alpha*h_to_c_1_1
72899  h_to_c_0_3 = -1*h_to_c_1_2
72900  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
72901  h_to_c_2_3 = +2*alpha*h_to_c_1_2
72902  h_to_c_3_3 = +2*alpha*h_to_c_2_2
72903  h_to_c_0_4 = -1*h_to_c_1_3
72904  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
72905  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
72906  h_to_c_3_4 = +2*alpha*h_to_c_2_3
72907  h_to_c_4_4 = +2*alpha*h_to_c_3_3
72908 
72909  exp_drsq = exp(-alpha*dr*dr)
72910  exp_2drsq = exp_drsq*exp_drsq
72911 
72912  rr1_delta = (ra - rb)/dr
72913 
72914  rr1_l = ceiling(-r_c(1) + rr1_delta)
72915  rr1_r = floor(r_c(1) + rr1_delta)
72916 
72917  r1 = rr1_l*dr
72918 
72919  alpha_e = zeta*zetb/(zeta + zetb)
72920 
72921  DO rr1 = rr1_l, rr1_r
72922  s_r_t_0 = 0.0_dp
72923  s_r_t2_0 = 0.0_dp
72924  s_r_t_1 = 0.0_dp
72925  s_r_t2_1 = 0.0_dp
72926  s_r_t_2 = 0.0_dp
72927  s_r_t2_2 = 0.0_dp
72928  s_r_t_3 = 0.0_dp
72929  s_r_t2_3 = 0.0_dp
72930  s_r_t_4 = 0.0_dp
72931  s_r_t2_4 = 0.0_dp
72932  r_tmp = r_offset + r1*zeta/(zeta + zetb)
72933  rr2_delta = -r_tmp/dr
72934 
72935  rr2_l = ceiling(-r_c(2) + rr2_delta)
72936  rr2_r = floor(r_c(2) + rr2_delta)
72937 
72938  r = r_tmp + (rr2_l)*dr
72939 
72940  exp2_2rdr = exp(-2*alpha*r*dr)
72941  exp2_rsq = exp(-alpha*r*r)
72942 
72943  DO rr2 = rr2_l, rr2_r
72944  r_pow_t = 1.0_dp
72945  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
72946  r_pow_t = r_pow_t*r
72947  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
72948  r_pow_t = r_pow_t*r
72949  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
72950  r_pow_t = r_pow_t*r
72951  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
72952  r_pow_t = r_pow_t*r
72953  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
72954 
72955  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
72956  exp2_2rdr = exp2_2rdr*exp_2drsq
72957  r = r + dr
72958  END DO
72959 
72960  ! C --> H
72961  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
72962  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
72963  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
72964  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
72965  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
72966  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
72967  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
72968  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
72969  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
72970  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
72971  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
72972  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
72973  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
72974  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
72975  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
72976 
72977  ! H --> HH
72978  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
72979 
72980  c1 = 1.0_dp/(zeta + zetb)
72981  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
72982  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
72983 
72984  e_0_1_0 = zeta*( &
72985  +c2*e_0_0_0&
72986 
72987  )
72988  e_1_1_0 = zeta*( c1*e_0_0_0 &
72989 
72990 
72991  )
72992  e_0_2_0 = zeta*( &
72993  +c2*e_0_1_0&
72994  +2*e_1_1_0 &
72995  -2*e_0_0_0)
72996  e_1_2_0 = zeta*( c1*e_0_1_0 &
72997  +c2*e_1_1_0&
72998 
72999  )
73000  e_2_2_0 = zeta*( c1*e_1_1_0 &
73001 
73002 
73003  )
73004 
73005  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
73006  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
73007  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
73008  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
73009  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
73010  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
73011  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
73012  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
73013  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
73014  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
73015  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
73016  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
73017  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
73018  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
73019  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
73020  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
73021  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
73022  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
73023  r1 = r1 + dr
73024  END DO
73025 
73026  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
73027  END SUBROUTINE
73028  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_0_3_exp_1 ( &
73029  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
73030  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
73031  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
73032  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
73033  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
73034  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
73035  r_pow_t, r_tmp, rr1_delta, rr2_delta
73036 
73037  REAL(kind=dp) :: c1, c2, c3
73038  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
73039  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
73040  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
73041  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
73042  & h_to_c_4_5, h_to_c_5_5
73043  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0
73044 
73045  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
73046 
73047  dr = lgth
73048  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
73049 
73050  s_r(:, :, :) = 0.0_dp
73051 
73052  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
73053 
73054  h_to_c_0_0 = sqrt(alpha/pi)
73055 
73056  h_to_c_0_1 = 0.0_dp
73057  h_to_c_1_1 = +2*alpha*h_to_c_0_0
73058  h_to_c_0_2 = -1*h_to_c_1_1
73059  h_to_c_1_2 = +2*alpha*h_to_c_0_1
73060  h_to_c_2_2 = +2*alpha*h_to_c_1_1
73061  h_to_c_0_3 = -1*h_to_c_1_2
73062  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
73063  h_to_c_2_3 = +2*alpha*h_to_c_1_2
73064  h_to_c_3_3 = +2*alpha*h_to_c_2_2
73065  h_to_c_0_4 = -1*h_to_c_1_3
73066  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
73067  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
73068  h_to_c_3_4 = +2*alpha*h_to_c_2_3
73069  h_to_c_4_4 = +2*alpha*h_to_c_3_3
73070  h_to_c_0_5 = -1*h_to_c_1_4
73071  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
73072  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
73073  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
73074  h_to_c_4_5 = +2*alpha*h_to_c_3_4
73075  h_to_c_5_5 = +2*alpha*h_to_c_4_4
73076 
73077  exp_drsq = exp(-alpha*dr*dr)
73078  exp_2drsq = exp_drsq*exp_drsq
73079 
73080  rr1_delta = (ra - rb)/dr
73081 
73082  rr1_l = ceiling(-r_c(1) + rr1_delta)
73083  rr1_r = floor(r_c(1) + rr1_delta)
73084 
73085  r1 = rr1_l*dr
73086 
73087  alpha_e = zeta*zetb/(zeta + zetb)
73088 
73089  DO rr1 = rr1_l, rr1_r
73090  s_r_t_0 = 0.0_dp
73091  s_r_t2_0 = 0.0_dp
73092  s_r_t_1 = 0.0_dp
73093  s_r_t2_1 = 0.0_dp
73094  s_r_t_2 = 0.0_dp
73095  s_r_t2_2 = 0.0_dp
73096  s_r_t_3 = 0.0_dp
73097  s_r_t2_3 = 0.0_dp
73098  s_r_t_4 = 0.0_dp
73099  s_r_t2_4 = 0.0_dp
73100  s_r_t_5 = 0.0_dp
73101  s_r_t2_5 = 0.0_dp
73102  r_tmp = r_offset + r1*zeta/(zeta + zetb)
73103  rr2_delta = -r_tmp/dr
73104 
73105  rr2_l = ceiling(-r_c(2) + rr2_delta)
73106  rr2_r = floor(r_c(2) + rr2_delta)
73107 
73108  r = r_tmp + (rr2_l)*dr
73109 
73110  exp2_2rdr = exp(-2*alpha*r*dr)
73111  exp2_rsq = exp(-alpha*r*r)
73112 
73113  DO rr2 = rr2_l, rr2_r
73114  r_pow_t = 1.0_dp
73115  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
73116  r_pow_t = r_pow_t*r
73117  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
73118  r_pow_t = r_pow_t*r
73119  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
73120  r_pow_t = r_pow_t*r
73121  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
73122  r_pow_t = r_pow_t*r
73123  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
73124  r_pow_t = r_pow_t*r
73125  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
73126 
73127  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
73128  exp2_2rdr = exp2_2rdr*exp_2drsq
73129  r = r + dr
73130  END DO
73131 
73132  ! C --> H
73133  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
73134  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
73135  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
73136  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
73137  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
73138  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
73139  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
73140  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
73141  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
73142  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
73143  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
73144  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
73145  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
73146  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
73147  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
73148  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
73149  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
73150  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
73151  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
73152  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
73153  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
73154 
73155  ! H --> HH
73156  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
73157 
73158  c1 = 1.0_dp/(zeta + zetb)
73159  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
73160  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
73161 
73162  e_0_1_0 = zeta*( &
73163  +c2*e_0_0_0&
73164 
73165  )
73166  e_1_1_0 = zeta*( c1*e_0_0_0 &
73167 
73168 
73169  )
73170  e_0_2_0 = zeta*( &
73171  +c2*e_0_1_0&
73172  +2*e_1_1_0 &
73173  -2*e_0_0_0)
73174  e_1_2_0 = zeta*( c1*e_0_1_0 &
73175  +c2*e_1_1_0&
73176 
73177  )
73178  e_2_2_0 = zeta*( c1*e_1_1_0 &
73179 
73180 
73181  )
73182 
73183  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
73184  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
73185  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
73186  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
73187  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
73188  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
73189  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
73190  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
73191  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
73192  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
73193  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
73194  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
73195  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
73196  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
73197  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
73198  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
73199  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
73200  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
73201  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
73202  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
73203  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
73204  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
73205  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
73206  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
73207  r1 = r1 + dr
73208  END DO
73209 
73210  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
73211  END SUBROUTINE
73212  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_0_4_exp_1 ( &
73213  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
73214  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
73215  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
73216  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
73217  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
73218  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
73219  r_pow_t, r_tmp, rr1_delta, rr2_delta
73220 
73221  REAL(kind=dp) :: c1, c2, c3
73222  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
73223  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
73224  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
73225  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
73226  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
73227  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0
73228 
73229  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
73230 
73231  dr = lgth
73232  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
73233 
73234  s_r(:, :, :) = 0.0_dp
73235 
73236  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
73237 
73238  h_to_c_0_0 = sqrt(alpha/pi)
73239 
73240  h_to_c_0_1 = 0.0_dp
73241  h_to_c_1_1 = +2*alpha*h_to_c_0_0
73242  h_to_c_0_2 = -1*h_to_c_1_1
73243  h_to_c_1_2 = +2*alpha*h_to_c_0_1
73244  h_to_c_2_2 = +2*alpha*h_to_c_1_1
73245  h_to_c_0_3 = -1*h_to_c_1_2
73246  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
73247  h_to_c_2_3 = +2*alpha*h_to_c_1_2
73248  h_to_c_3_3 = +2*alpha*h_to_c_2_2
73249  h_to_c_0_4 = -1*h_to_c_1_3
73250  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
73251  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
73252  h_to_c_3_4 = +2*alpha*h_to_c_2_3
73253  h_to_c_4_4 = +2*alpha*h_to_c_3_3
73254  h_to_c_0_5 = -1*h_to_c_1_4
73255  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
73256  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
73257  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
73258  h_to_c_4_5 = +2*alpha*h_to_c_3_4
73259  h_to_c_5_5 = +2*alpha*h_to_c_4_4
73260  h_to_c_0_6 = -1*h_to_c_1_5
73261  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
73262  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
73263  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
73264  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
73265  h_to_c_5_6 = +2*alpha*h_to_c_4_5
73266  h_to_c_6_6 = +2*alpha*h_to_c_5_5
73267 
73268  exp_drsq = exp(-alpha*dr*dr)
73269  exp_2drsq = exp_drsq*exp_drsq
73270 
73271  rr1_delta = (ra - rb)/dr
73272 
73273  rr1_l = ceiling(-r_c(1) + rr1_delta)
73274  rr1_r = floor(r_c(1) + rr1_delta)
73275 
73276  r1 = rr1_l*dr
73277 
73278  alpha_e = zeta*zetb/(zeta + zetb)
73279 
73280  DO rr1 = rr1_l, rr1_r
73281  s_r_t_0 = 0.0_dp
73282  s_r_t2_0 = 0.0_dp
73283  s_r_t_1 = 0.0_dp
73284  s_r_t2_1 = 0.0_dp
73285  s_r_t_2 = 0.0_dp
73286  s_r_t2_2 = 0.0_dp
73287  s_r_t_3 = 0.0_dp
73288  s_r_t2_3 = 0.0_dp
73289  s_r_t_4 = 0.0_dp
73290  s_r_t2_4 = 0.0_dp
73291  s_r_t_5 = 0.0_dp
73292  s_r_t2_5 = 0.0_dp
73293  s_r_t_6 = 0.0_dp
73294  s_r_t2_6 = 0.0_dp
73295  r_tmp = r_offset + r1*zeta/(zeta + zetb)
73296  rr2_delta = -r_tmp/dr
73297 
73298  rr2_l = ceiling(-r_c(2) + rr2_delta)
73299  rr2_r = floor(r_c(2) + rr2_delta)
73300 
73301  r = r_tmp + (rr2_l)*dr
73302 
73303  exp2_2rdr = exp(-2*alpha*r*dr)
73304  exp2_rsq = exp(-alpha*r*r)
73305 
73306  DO rr2 = rr2_l, rr2_r
73307  r_pow_t = 1.0_dp
73308  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
73309  r_pow_t = r_pow_t*r
73310  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
73311  r_pow_t = r_pow_t*r
73312  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
73313  r_pow_t = r_pow_t*r
73314  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
73315  r_pow_t = r_pow_t*r
73316  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
73317  r_pow_t = r_pow_t*r
73318  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
73319  r_pow_t = r_pow_t*r
73320  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
73321 
73322  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
73323  exp2_2rdr = exp2_2rdr*exp_2drsq
73324  r = r + dr
73325  END DO
73326 
73327  ! C --> H
73328  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
73329  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
73330  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
73331  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
73332  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
73333  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
73334  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
73335  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
73336  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
73337  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
73338  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
73339  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
73340  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
73341  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
73342  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
73343  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
73344  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
73345  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
73346  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
73347  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
73348  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
73349  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
73350  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
73351  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
73352  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
73353  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
73354  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
73355  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
73356 
73357  ! H --> HH
73358  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
73359 
73360  c1 = 1.0_dp/(zeta + zetb)
73361  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
73362  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
73363 
73364  e_0_1_0 = zeta*( &
73365  +c2*e_0_0_0&
73366 
73367  )
73368  e_1_1_0 = zeta*( c1*e_0_0_0 &
73369 
73370 
73371  )
73372  e_0_2_0 = zeta*( &
73373  +c2*e_0_1_0&
73374  +2*e_1_1_0 &
73375  -2*e_0_0_0)
73376  e_1_2_0 = zeta*( c1*e_0_1_0 &
73377  +c2*e_1_1_0&
73378 
73379  )
73380  e_2_2_0 = zeta*( c1*e_1_1_0 &
73381 
73382 
73383  )
73384 
73385  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
73386  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
73387  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
73388  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
73389  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
73390  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
73391  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
73392  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
73393  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
73394  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
73395  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
73396  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
73397  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
73398  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
73399  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
73400  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
73401  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
73402  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
73403  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
73404  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
73405  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
73406  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
73407  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
73408  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
73409  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
73410  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
73411  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
73412  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
73413  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
73414  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
73415  r1 = r1 + dr
73416  END DO
73417 
73418  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
73419  END SUBROUTINE
73420  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_1_0_exp_1 ( &
73421  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
73422  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
73423  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
73424  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
73425  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
73426  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
73427  r_pow_t, r_tmp, rr1_delta, rr2_delta
73428 
73429  REAL(kind=dp) :: c1, c2, c3
73430  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
73431  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
73432  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
73433  & h_to_c_3_3
73434  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
73435  & e_1_2_1, e_2_2_1, e_3_2_1
73436 
73437  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
73438 
73439  dr = lgth
73440  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
73441 
73442  s_r(:, :, :) = 0.0_dp
73443 
73444  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
73445 
73446  h_to_c_0_0 = sqrt(alpha/pi)
73447 
73448  h_to_c_0_1 = 0.0_dp
73449  h_to_c_1_1 = +2*alpha*h_to_c_0_0
73450  h_to_c_0_2 = -1*h_to_c_1_1
73451  h_to_c_1_2 = +2*alpha*h_to_c_0_1
73452  h_to_c_2_2 = +2*alpha*h_to_c_1_1
73453  h_to_c_0_3 = -1*h_to_c_1_2
73454  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
73455  h_to_c_2_3 = +2*alpha*h_to_c_1_2
73456  h_to_c_3_3 = +2*alpha*h_to_c_2_2
73457 
73458  exp_drsq = exp(-alpha*dr*dr)
73459  exp_2drsq = exp_drsq*exp_drsq
73460 
73461  rr1_delta = (ra - rb)/dr
73462 
73463  rr1_l = ceiling(-r_c(1) + rr1_delta)
73464  rr1_r = floor(r_c(1) + rr1_delta)
73465 
73466  r1 = rr1_l*dr
73467 
73468  alpha_e = zeta*zetb/(zeta + zetb)
73469 
73470  DO rr1 = rr1_l, rr1_r
73471  s_r_t_0 = 0.0_dp
73472  s_r_t2_0 = 0.0_dp
73473  s_r_t_1 = 0.0_dp
73474  s_r_t2_1 = 0.0_dp
73475  s_r_t_2 = 0.0_dp
73476  s_r_t2_2 = 0.0_dp
73477  s_r_t_3 = 0.0_dp
73478  s_r_t2_3 = 0.0_dp
73479  r_tmp = r_offset + r1*zeta/(zeta + zetb)
73480  rr2_delta = -r_tmp/dr
73481 
73482  rr2_l = ceiling(-r_c(2) + rr2_delta)
73483  rr2_r = floor(r_c(2) + rr2_delta)
73484 
73485  r = r_tmp + (rr2_l)*dr
73486 
73487  exp2_2rdr = exp(-2*alpha*r*dr)
73488  exp2_rsq = exp(-alpha*r*r)
73489 
73490  DO rr2 = rr2_l, rr2_r
73491  r_pow_t = 1.0_dp
73492  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
73493  r_pow_t = r_pow_t*r
73494  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
73495  r_pow_t = r_pow_t*r
73496  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
73497  r_pow_t = r_pow_t*r
73498  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
73499 
73500  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
73501  exp2_2rdr = exp2_2rdr*exp_2drsq
73502  r = r + dr
73503  END DO
73504 
73505  ! C --> H
73506  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
73507  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
73508  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
73509  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
73510  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
73511  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
73512  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
73513  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
73514  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
73515  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
73516 
73517  ! H --> HH
73518  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
73519 
73520  c1 = 1.0_dp/(zeta + zetb)
73521  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
73522  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
73523 
73524  e_0_1_0 = zeta*( &
73525  +c2*e_0_0_0&
73526 
73527  )
73528  e_0_0_1 = zetb*( &
73529  +c3*e_0_0_0&
73530 
73531  )
73532  e_1_1_0 = zeta*( c1*e_0_0_0 &
73533 
73534 
73535  )
73536  e_1_0_1 = zetb*( c1*e_0_0_0 &
73537 
73538 
73539  )
73540  e_0_2_0 = zeta*( &
73541  +c2*e_0_1_0&
73542  +2*e_1_1_0 &
73543  -2*e_0_0_0)
73544  e_0_1_1 = zetb*( &
73545  +c3*e_0_1_0&
73546  +2*e_1_1_0 &
73547  )
73548  e_1_2_0 = zeta*( c1*e_0_1_0 &
73549  +c2*e_1_1_0&
73550 
73551  )
73552  e_1_1_1 = zetb*( c1*e_0_1_0 &
73553  +c3*e_1_1_0&
73554 
73555  )
73556  e_2_2_0 = zeta*( c1*e_1_1_0 &
73557 
73558 
73559  )
73560  e_2_1_1 = zetb*( c1*e_1_1_0 &
73561 
73562 
73563  )
73564  e_0_2_1 = zetb*( &
73565  +c3*e_0_2_0&
73566  +2*e_1_2_0 &
73567  )
73568  e_1_2_1 = zetb*( c1*e_0_2_0 &
73569  +c3*e_1_2_0&
73570  +4*e_2_2_0 &
73571  )
73572  e_2_2_1 = zetb*( c1*e_1_2_0 &
73573  +c3*e_2_2_0&
73574 
73575  )
73576  e_3_2_1 = zetb*( c1*e_2_2_0 &
73577 
73578 
73579  )
73580  e_0_1_1 = zeta*( &
73581  +c2*e_0_0_1&
73582  +2*e_1_0_1 &
73583  )
73584  e_1_1_1 = zeta*( c1*e_0_0_1 &
73585  +c2*e_1_0_1&
73586 
73587  )
73588  e_2_1_1 = zeta*( c1*e_1_0_1 &
73589 
73590 
73591  )
73592  e_0_2_1 = zeta*( &
73593  +c2*e_0_1_1&
73594  +2*e_1_1_1 &
73595  -2*e_0_0_1)
73596  e_1_2_1 = zeta*( c1*e_0_1_1 &
73597  +c2*e_1_1_1&
73598  +4*e_2_1_1 &
73599  -2*e_1_0_1)
73600  e_2_2_1 = zeta*( c1*e_1_1_1 &
73601  +c2*e_2_1_1&
73602 
73603  )
73604  e_3_2_1 = zeta*( c1*e_2_1_1 &
73605 
73606 
73607  )
73608 
73609  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
73610  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
73611  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
73612  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
73613  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
73614  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
73615  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
73616  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
73617  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
73618  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
73619  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
73620  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
73621  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
73622  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
73623  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
73624  r1 = r1 + dr
73625  END DO
73626 
73627  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
73628  END SUBROUTINE
73629  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_1_1_exp_1 ( &
73630  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
73631  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
73632  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
73633  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
73634  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
73635  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
73636  r_pow_t, r_tmp, rr1_delta, rr2_delta
73637 
73638  REAL(kind=dp) :: c1, c2, c3
73639  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
73640  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
73641  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
73642  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
73643  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
73644  & e_1_2_1, e_2_2_1, e_3_2_1
73645 
73646  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
73647 
73648  dr = lgth
73649  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
73650 
73651  s_r(:, :, :) = 0.0_dp
73652 
73653  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
73654 
73655  h_to_c_0_0 = sqrt(alpha/pi)
73656 
73657  h_to_c_0_1 = 0.0_dp
73658  h_to_c_1_1 = +2*alpha*h_to_c_0_0
73659  h_to_c_0_2 = -1*h_to_c_1_1
73660  h_to_c_1_2 = +2*alpha*h_to_c_0_1
73661  h_to_c_2_2 = +2*alpha*h_to_c_1_1
73662  h_to_c_0_3 = -1*h_to_c_1_2
73663  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
73664  h_to_c_2_3 = +2*alpha*h_to_c_1_2
73665  h_to_c_3_3 = +2*alpha*h_to_c_2_2
73666  h_to_c_0_4 = -1*h_to_c_1_3
73667  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
73668  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
73669  h_to_c_3_4 = +2*alpha*h_to_c_2_3
73670  h_to_c_4_4 = +2*alpha*h_to_c_3_3
73671 
73672  exp_drsq = exp(-alpha*dr*dr)
73673  exp_2drsq = exp_drsq*exp_drsq
73674 
73675  rr1_delta = (ra - rb)/dr
73676 
73677  rr1_l = ceiling(-r_c(1) + rr1_delta)
73678  rr1_r = floor(r_c(1) + rr1_delta)
73679 
73680  r1 = rr1_l*dr
73681 
73682  alpha_e = zeta*zetb/(zeta + zetb)
73683 
73684  DO rr1 = rr1_l, rr1_r
73685  s_r_t_0 = 0.0_dp
73686  s_r_t2_0 = 0.0_dp
73687  s_r_t_1 = 0.0_dp
73688  s_r_t2_1 = 0.0_dp
73689  s_r_t_2 = 0.0_dp
73690  s_r_t2_2 = 0.0_dp
73691  s_r_t_3 = 0.0_dp
73692  s_r_t2_3 = 0.0_dp
73693  s_r_t_4 = 0.0_dp
73694  s_r_t2_4 = 0.0_dp
73695  r_tmp = r_offset + r1*zeta/(zeta + zetb)
73696  rr2_delta = -r_tmp/dr
73697 
73698  rr2_l = ceiling(-r_c(2) + rr2_delta)
73699  rr2_r = floor(r_c(2) + rr2_delta)
73700 
73701  r = r_tmp + (rr2_l)*dr
73702 
73703  exp2_2rdr = exp(-2*alpha*r*dr)
73704  exp2_rsq = exp(-alpha*r*r)
73705 
73706  DO rr2 = rr2_l, rr2_r
73707  r_pow_t = 1.0_dp
73708  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
73709  r_pow_t = r_pow_t*r
73710  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
73711  r_pow_t = r_pow_t*r
73712  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
73713  r_pow_t = r_pow_t*r
73714  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
73715  r_pow_t = r_pow_t*r
73716  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
73717 
73718  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
73719  exp2_2rdr = exp2_2rdr*exp_2drsq
73720  r = r + dr
73721  END DO
73722 
73723  ! C --> H
73724  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
73725  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
73726  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
73727  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
73728  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
73729  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
73730  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
73731  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
73732  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
73733  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
73734  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
73735  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
73736  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
73737  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
73738  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
73739 
73740  ! H --> HH
73741  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
73742 
73743  c1 = 1.0_dp/(zeta + zetb)
73744  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
73745  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
73746 
73747  e_0_1_0 = zeta*( &
73748  +c2*e_0_0_0&
73749 
73750  )
73751  e_0_0_1 = zetb*( &
73752  +c3*e_0_0_0&
73753 
73754  )
73755  e_1_1_0 = zeta*( c1*e_0_0_0 &
73756 
73757 
73758  )
73759  e_1_0_1 = zetb*( c1*e_0_0_0 &
73760 
73761 
73762  )
73763  e_0_2_0 = zeta*( &
73764  +c2*e_0_1_0&
73765  +2*e_1_1_0 &
73766  -2*e_0_0_0)
73767  e_0_1_1 = zetb*( &
73768  +c3*e_0_1_0&
73769  +2*e_1_1_0 &
73770  )
73771  e_1_2_0 = zeta*( c1*e_0_1_0 &
73772  +c2*e_1_1_0&
73773 
73774  )
73775  e_1_1_1 = zetb*( c1*e_0_1_0 &
73776  +c3*e_1_1_0&
73777 
73778  )
73779  e_2_2_0 = zeta*( c1*e_1_1_0 &
73780 
73781 
73782  )
73783  e_2_1_1 = zetb*( c1*e_1_1_0 &
73784 
73785 
73786  )
73787  e_0_2_1 = zetb*( &
73788  +c3*e_0_2_0&
73789  +2*e_1_2_0 &
73790  )
73791  e_1_2_1 = zetb*( c1*e_0_2_0 &
73792  +c3*e_1_2_0&
73793  +4*e_2_2_0 &
73794  )
73795  e_2_2_1 = zetb*( c1*e_1_2_0 &
73796  +c3*e_2_2_0&
73797 
73798  )
73799  e_3_2_1 = zetb*( c1*e_2_2_0 &
73800 
73801 
73802  )
73803  e_0_1_1 = zeta*( &
73804  +c2*e_0_0_1&
73805  +2*e_1_0_1 &
73806  )
73807  e_1_1_1 = zeta*( c1*e_0_0_1 &
73808  +c2*e_1_0_1&
73809 
73810  )
73811  e_2_1_1 = zeta*( c1*e_1_0_1 &
73812 
73813 
73814  )
73815  e_0_2_1 = zeta*( &
73816  +c2*e_0_1_1&
73817  +2*e_1_1_1 &
73818  -2*e_0_0_1)
73819  e_1_2_1 = zeta*( c1*e_0_1_1 &
73820  +c2*e_1_1_1&
73821  +4*e_2_1_1 &
73822  -2*e_1_0_1)
73823  e_2_2_1 = zeta*( c1*e_1_1_1 &
73824  +c2*e_2_1_1&
73825 
73826  )
73827  e_3_2_1 = zeta*( c1*e_2_1_1 &
73828 
73829 
73830  )
73831 
73832  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
73833  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
73834  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
73835  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
73836  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
73837  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
73838  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
73839  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
73840  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
73841  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
73842  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
73843  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
73844  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
73845  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
73846  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
73847  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
73848  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
73849  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
73850  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
73851  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
73852  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
73853  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
73854  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
73855  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
73856  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
73857  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
73858  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
73859  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
73860  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
73861  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
73862  r1 = r1 + dr
73863  END DO
73864 
73865  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
73866  END SUBROUTINE
73867  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_1_2_exp_1 ( &
73868  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
73869  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
73870  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
73871  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
73872  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
73873  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
73874  r_pow_t, r_tmp, rr1_delta, rr2_delta
73875 
73876  REAL(kind=dp) :: c1, c2, c3
73877  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
73878  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
73879  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
73880  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
73881  & h_to_c_4_5, h_to_c_5_5
73882  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
73883  & e_1_2_1, e_2_2_1, e_3_2_1
73884 
73885  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
73886 
73887  dr = lgth
73888  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
73889 
73890  s_r(:, :, :) = 0.0_dp
73891 
73892  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
73893 
73894  h_to_c_0_0 = sqrt(alpha/pi)
73895 
73896  h_to_c_0_1 = 0.0_dp
73897  h_to_c_1_1 = +2*alpha*h_to_c_0_0
73898  h_to_c_0_2 = -1*h_to_c_1_1
73899  h_to_c_1_2 = +2*alpha*h_to_c_0_1
73900  h_to_c_2_2 = +2*alpha*h_to_c_1_1
73901  h_to_c_0_3 = -1*h_to_c_1_2
73902  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
73903  h_to_c_2_3 = +2*alpha*h_to_c_1_2
73904  h_to_c_3_3 = +2*alpha*h_to_c_2_2
73905  h_to_c_0_4 = -1*h_to_c_1_3
73906  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
73907  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
73908  h_to_c_3_4 = +2*alpha*h_to_c_2_3
73909  h_to_c_4_4 = +2*alpha*h_to_c_3_3
73910  h_to_c_0_5 = -1*h_to_c_1_4
73911  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
73912  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
73913  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
73914  h_to_c_4_5 = +2*alpha*h_to_c_3_4
73915  h_to_c_5_5 = +2*alpha*h_to_c_4_4
73916 
73917  exp_drsq = exp(-alpha*dr*dr)
73918  exp_2drsq = exp_drsq*exp_drsq
73919 
73920  rr1_delta = (ra - rb)/dr
73921 
73922  rr1_l = ceiling(-r_c(1) + rr1_delta)
73923  rr1_r = floor(r_c(1) + rr1_delta)
73924 
73925  r1 = rr1_l*dr
73926 
73927  alpha_e = zeta*zetb/(zeta + zetb)
73928 
73929  DO rr1 = rr1_l, rr1_r
73930  s_r_t_0 = 0.0_dp
73931  s_r_t2_0 = 0.0_dp
73932  s_r_t_1 = 0.0_dp
73933  s_r_t2_1 = 0.0_dp
73934  s_r_t_2 = 0.0_dp
73935  s_r_t2_2 = 0.0_dp
73936  s_r_t_3 = 0.0_dp
73937  s_r_t2_3 = 0.0_dp
73938  s_r_t_4 = 0.0_dp
73939  s_r_t2_4 = 0.0_dp
73940  s_r_t_5 = 0.0_dp
73941  s_r_t2_5 = 0.0_dp
73942  r_tmp = r_offset + r1*zeta/(zeta + zetb)
73943  rr2_delta = -r_tmp/dr
73944 
73945  rr2_l = ceiling(-r_c(2) + rr2_delta)
73946  rr2_r = floor(r_c(2) + rr2_delta)
73947 
73948  r = r_tmp + (rr2_l)*dr
73949 
73950  exp2_2rdr = exp(-2*alpha*r*dr)
73951  exp2_rsq = exp(-alpha*r*r)
73952 
73953  DO rr2 = rr2_l, rr2_r
73954  r_pow_t = 1.0_dp
73955  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
73956  r_pow_t = r_pow_t*r
73957  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
73958  r_pow_t = r_pow_t*r
73959  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
73960  r_pow_t = r_pow_t*r
73961  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
73962  r_pow_t = r_pow_t*r
73963  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
73964  r_pow_t = r_pow_t*r
73965  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
73966 
73967  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
73968  exp2_2rdr = exp2_2rdr*exp_2drsq
73969  r = r + dr
73970  END DO
73971 
73972  ! C --> H
73973  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
73974  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
73975  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
73976  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
73977  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
73978  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
73979  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
73980  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
73981  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
73982  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
73983  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
73984  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
73985  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
73986  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
73987  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
73988  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
73989  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
73990  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
73991  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
73992  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
73993  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
73994 
73995  ! H --> HH
73996  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
73997 
73998  c1 = 1.0_dp/(zeta + zetb)
73999  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
74000  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
74001 
74002  e_0_1_0 = zeta*( &
74003  +c2*e_0_0_0&
74004 
74005  )
74006  e_0_0_1 = zetb*( &
74007  +c3*e_0_0_0&
74008 
74009  )
74010  e_1_1_0 = zeta*( c1*e_0_0_0 &
74011 
74012 
74013  )
74014  e_1_0_1 = zetb*( c1*e_0_0_0 &
74015 
74016 
74017  )
74018  e_0_2_0 = zeta*( &
74019  +c2*e_0_1_0&
74020  +2*e_1_1_0 &
74021  -2*e_0_0_0)
74022  e_0_1_1 = zetb*( &
74023  +c3*e_0_1_0&
74024  +2*e_1_1_0 &
74025  )
74026  e_1_2_0 = zeta*( c1*e_0_1_0 &
74027  +c2*e_1_1_0&
74028 
74029  )
74030  e_1_1_1 = zetb*( c1*e_0_1_0 &
74031  +c3*e_1_1_0&
74032 
74033  )
74034  e_2_2_0 = zeta*( c1*e_1_1_0 &
74035 
74036 
74037  )
74038  e_2_1_1 = zetb*( c1*e_1_1_0 &
74039 
74040 
74041  )
74042  e_0_2_1 = zetb*( &
74043  +c3*e_0_2_0&
74044  +2*e_1_2_0 &
74045  )
74046  e_1_2_1 = zetb*( c1*e_0_2_0 &
74047  +c3*e_1_2_0&
74048  +4*e_2_2_0 &
74049  )
74050  e_2_2_1 = zetb*( c1*e_1_2_0 &
74051  +c3*e_2_2_0&
74052 
74053  )
74054  e_3_2_1 = zetb*( c1*e_2_2_0 &
74055 
74056 
74057  )
74058  e_0_1_1 = zeta*( &
74059  +c2*e_0_0_1&
74060  +2*e_1_0_1 &
74061  )
74062  e_1_1_1 = zeta*( c1*e_0_0_1 &
74063  +c2*e_1_0_1&
74064 
74065  )
74066  e_2_1_1 = zeta*( c1*e_1_0_1 &
74067 
74068 
74069  )
74070  e_0_2_1 = zeta*( &
74071  +c2*e_0_1_1&
74072  +2*e_1_1_1 &
74073  -2*e_0_0_1)
74074  e_1_2_1 = zeta*( c1*e_0_1_1 &
74075  +c2*e_1_1_1&
74076  +4*e_2_1_1 &
74077  -2*e_1_0_1)
74078  e_2_2_1 = zeta*( c1*e_1_1_1 &
74079  +c2*e_2_1_1&
74080 
74081  )
74082  e_3_2_1 = zeta*( c1*e_2_1_1 &
74083 
74084 
74085  )
74086 
74087  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
74088  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
74089  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
74090  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
74091  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
74092  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
74093  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
74094  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
74095  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
74096  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
74097  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
74098  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
74099  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
74100  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
74101  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
74102  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
74103  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
74104  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
74105  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
74106  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
74107  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
74108  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
74109  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
74110  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
74111  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
74112  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
74113  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
74114  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
74115  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
74116  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
74117  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
74118  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
74119  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
74120  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
74121  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
74122  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
74123  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
74124  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
74125  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
74126  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
74127  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
74128  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
74129  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
74130  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
74131  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
74132  r1 = r1 + dr
74133  END DO
74134 
74135  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
74136  END SUBROUTINE
74137  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_1_3_exp_1 ( &
74138  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
74139  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
74140  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
74141  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
74142  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
74143  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
74144  r_pow_t, r_tmp, rr1_delta, rr2_delta
74145 
74146  REAL(kind=dp) :: c1, c2, c3
74147  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
74148  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
74149  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
74150  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
74151  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
74152  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
74153  & e_1_2_1, e_2_2_1, e_3_2_1
74154 
74155  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
74156 
74157  dr = lgth
74158  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
74159 
74160  s_r(:, :, :) = 0.0_dp
74161 
74162  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
74163 
74164  h_to_c_0_0 = sqrt(alpha/pi)
74165 
74166  h_to_c_0_1 = 0.0_dp
74167  h_to_c_1_1 = +2*alpha*h_to_c_0_0
74168  h_to_c_0_2 = -1*h_to_c_1_1
74169  h_to_c_1_2 = +2*alpha*h_to_c_0_1
74170  h_to_c_2_2 = +2*alpha*h_to_c_1_1
74171  h_to_c_0_3 = -1*h_to_c_1_2
74172  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
74173  h_to_c_2_3 = +2*alpha*h_to_c_1_2
74174  h_to_c_3_3 = +2*alpha*h_to_c_2_2
74175  h_to_c_0_4 = -1*h_to_c_1_3
74176  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
74177  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
74178  h_to_c_3_4 = +2*alpha*h_to_c_2_3
74179  h_to_c_4_4 = +2*alpha*h_to_c_3_3
74180  h_to_c_0_5 = -1*h_to_c_1_4
74181  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
74182  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
74183  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
74184  h_to_c_4_5 = +2*alpha*h_to_c_3_4
74185  h_to_c_5_5 = +2*alpha*h_to_c_4_4
74186  h_to_c_0_6 = -1*h_to_c_1_5
74187  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
74188  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
74189  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
74190  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
74191  h_to_c_5_6 = +2*alpha*h_to_c_4_5
74192  h_to_c_6_6 = +2*alpha*h_to_c_5_5
74193 
74194  exp_drsq = exp(-alpha*dr*dr)
74195  exp_2drsq = exp_drsq*exp_drsq
74196 
74197  rr1_delta = (ra - rb)/dr
74198 
74199  rr1_l = ceiling(-r_c(1) + rr1_delta)
74200  rr1_r = floor(r_c(1) + rr1_delta)
74201 
74202  r1 = rr1_l*dr
74203 
74204  alpha_e = zeta*zetb/(zeta + zetb)
74205 
74206  DO rr1 = rr1_l, rr1_r
74207  s_r_t_0 = 0.0_dp
74208  s_r_t2_0 = 0.0_dp
74209  s_r_t_1 = 0.0_dp
74210  s_r_t2_1 = 0.0_dp
74211  s_r_t_2 = 0.0_dp
74212  s_r_t2_2 = 0.0_dp
74213  s_r_t_3 = 0.0_dp
74214  s_r_t2_3 = 0.0_dp
74215  s_r_t_4 = 0.0_dp
74216  s_r_t2_4 = 0.0_dp
74217  s_r_t_5 = 0.0_dp
74218  s_r_t2_5 = 0.0_dp
74219  s_r_t_6 = 0.0_dp
74220  s_r_t2_6 = 0.0_dp
74221  r_tmp = r_offset + r1*zeta/(zeta + zetb)
74222  rr2_delta = -r_tmp/dr
74223 
74224  rr2_l = ceiling(-r_c(2) + rr2_delta)
74225  rr2_r = floor(r_c(2) + rr2_delta)
74226 
74227  r = r_tmp + (rr2_l)*dr
74228 
74229  exp2_2rdr = exp(-2*alpha*r*dr)
74230  exp2_rsq = exp(-alpha*r*r)
74231 
74232  DO rr2 = rr2_l, rr2_r
74233  r_pow_t = 1.0_dp
74234  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
74235  r_pow_t = r_pow_t*r
74236  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
74237  r_pow_t = r_pow_t*r
74238  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
74239  r_pow_t = r_pow_t*r
74240  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
74241  r_pow_t = r_pow_t*r
74242  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
74243  r_pow_t = r_pow_t*r
74244  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
74245  r_pow_t = r_pow_t*r
74246  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
74247 
74248  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
74249  exp2_2rdr = exp2_2rdr*exp_2drsq
74250  r = r + dr
74251  END DO
74252 
74253  ! C --> H
74254  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
74255  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
74256  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
74257  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
74258  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
74259  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
74260  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
74261  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
74262  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
74263  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
74264  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
74265  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
74266  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
74267  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
74268  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
74269  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
74270  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
74271  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
74272  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
74273  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
74274  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
74275  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
74276  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
74277  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
74278  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
74279  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
74280  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
74281  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
74282 
74283  ! H --> HH
74284  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
74285 
74286  c1 = 1.0_dp/(zeta + zetb)
74287  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
74288  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
74289 
74290  e_0_1_0 = zeta*( &
74291  +c2*e_0_0_0&
74292 
74293  )
74294  e_0_0_1 = zetb*( &
74295  +c3*e_0_0_0&
74296 
74297  )
74298  e_1_1_0 = zeta*( c1*e_0_0_0 &
74299 
74300 
74301  )
74302  e_1_0_1 = zetb*( c1*e_0_0_0 &
74303 
74304 
74305  )
74306  e_0_2_0 = zeta*( &
74307  +c2*e_0_1_0&
74308  +2*e_1_1_0 &
74309  -2*e_0_0_0)
74310  e_0_1_1 = zetb*( &
74311  +c3*e_0_1_0&
74312  +2*e_1_1_0 &
74313  )
74314  e_1_2_0 = zeta*( c1*e_0_1_0 &
74315  +c2*e_1_1_0&
74316 
74317  )
74318  e_1_1_1 = zetb*( c1*e_0_1_0 &
74319  +c3*e_1_1_0&
74320 
74321  )
74322  e_2_2_0 = zeta*( c1*e_1_1_0 &
74323 
74324 
74325  )
74326  e_2_1_1 = zetb*( c1*e_1_1_0 &
74327 
74328 
74329  )
74330  e_0_2_1 = zetb*( &
74331  +c3*e_0_2_0&
74332  +2*e_1_2_0 &
74333  )
74334  e_1_2_1 = zetb*( c1*e_0_2_0 &
74335  +c3*e_1_2_0&
74336  +4*e_2_2_0 &
74337  )
74338  e_2_2_1 = zetb*( c1*e_1_2_0 &
74339  +c3*e_2_2_0&
74340 
74341  )
74342  e_3_2_1 = zetb*( c1*e_2_2_0 &
74343 
74344 
74345  )
74346  e_0_1_1 = zeta*( &
74347  +c2*e_0_0_1&
74348  +2*e_1_0_1 &
74349  )
74350  e_1_1_1 = zeta*( c1*e_0_0_1 &
74351  +c2*e_1_0_1&
74352 
74353  )
74354  e_2_1_1 = zeta*( c1*e_1_0_1 &
74355 
74356 
74357  )
74358  e_0_2_1 = zeta*( &
74359  +c2*e_0_1_1&
74360  +2*e_1_1_1 &
74361  -2*e_0_0_1)
74362  e_1_2_1 = zeta*( c1*e_0_1_1 &
74363  +c2*e_1_1_1&
74364  +4*e_2_1_1 &
74365  -2*e_1_0_1)
74366  e_2_2_1 = zeta*( c1*e_1_1_1 &
74367  +c2*e_2_1_1&
74368 
74369  )
74370  e_3_2_1 = zeta*( c1*e_2_1_1 &
74371 
74372 
74373  )
74374 
74375  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
74376  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
74377  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
74378  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
74379  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
74380  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
74381  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
74382  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
74383  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
74384  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
74385  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
74386  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
74387  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
74388  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
74389  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
74390  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
74391  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
74392  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
74393  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
74394  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
74395  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
74396  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
74397  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
74398  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
74399  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
74400  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
74401  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
74402  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
74403  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
74404  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
74405  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
74406  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
74407  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
74408  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
74409  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
74410  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
74411  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
74412  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
74413  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
74414  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
74415  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
74416  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
74417  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
74418  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
74419  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
74420  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
74421  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
74422  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
74423  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
74424  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
74425  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
74426  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
74427  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
74428  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
74429  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
74430  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
74431  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
74432  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
74433  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
74434  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
74435  r1 = r1 + dr
74436  END DO
74437 
74438  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
74439  END SUBROUTINE
74440  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_1_4_exp_1 ( &
74441  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
74442  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
74443  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
74444  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
74445  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
74446  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
74447  r_pow_t, r_tmp, rr1_delta, rr2_delta
74448 
74449  REAL(kind=dp) :: c1, c2, c3
74450  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
74451  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
74452  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
74453  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
74454  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
74455  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
74456  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
74457  & e_1_2_1, e_2_2_1, e_3_2_1
74458 
74459  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
74460 
74461  dr = lgth
74462  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
74463 
74464  s_r(:, :, :) = 0.0_dp
74465 
74466  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
74467 
74468  h_to_c_0_0 = sqrt(alpha/pi)
74469 
74470  h_to_c_0_1 = 0.0_dp
74471  h_to_c_1_1 = +2*alpha*h_to_c_0_0
74472  h_to_c_0_2 = -1*h_to_c_1_1
74473  h_to_c_1_2 = +2*alpha*h_to_c_0_1
74474  h_to_c_2_2 = +2*alpha*h_to_c_1_1
74475  h_to_c_0_3 = -1*h_to_c_1_2
74476  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
74477  h_to_c_2_3 = +2*alpha*h_to_c_1_2
74478  h_to_c_3_3 = +2*alpha*h_to_c_2_2
74479  h_to_c_0_4 = -1*h_to_c_1_3
74480  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
74481  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
74482  h_to_c_3_4 = +2*alpha*h_to_c_2_3
74483  h_to_c_4_4 = +2*alpha*h_to_c_3_3
74484  h_to_c_0_5 = -1*h_to_c_1_4
74485  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
74486  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
74487  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
74488  h_to_c_4_5 = +2*alpha*h_to_c_3_4
74489  h_to_c_5_5 = +2*alpha*h_to_c_4_4
74490  h_to_c_0_6 = -1*h_to_c_1_5
74491  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
74492  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
74493  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
74494  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
74495  h_to_c_5_6 = +2*alpha*h_to_c_4_5
74496  h_to_c_6_6 = +2*alpha*h_to_c_5_5
74497  h_to_c_0_7 = -1*h_to_c_1_6
74498  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
74499  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
74500  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
74501  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
74502  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
74503  h_to_c_6_7 = +2*alpha*h_to_c_5_6
74504  h_to_c_7_7 = +2*alpha*h_to_c_6_6
74505 
74506  exp_drsq = exp(-alpha*dr*dr)
74507  exp_2drsq = exp_drsq*exp_drsq
74508 
74509  rr1_delta = (ra - rb)/dr
74510 
74511  rr1_l = ceiling(-r_c(1) + rr1_delta)
74512  rr1_r = floor(r_c(1) + rr1_delta)
74513 
74514  r1 = rr1_l*dr
74515 
74516  alpha_e = zeta*zetb/(zeta + zetb)
74517 
74518  DO rr1 = rr1_l, rr1_r
74519  s_r_t_0 = 0.0_dp
74520  s_r_t2_0 = 0.0_dp
74521  s_r_t_1 = 0.0_dp
74522  s_r_t2_1 = 0.0_dp
74523  s_r_t_2 = 0.0_dp
74524  s_r_t2_2 = 0.0_dp
74525  s_r_t_3 = 0.0_dp
74526  s_r_t2_3 = 0.0_dp
74527  s_r_t_4 = 0.0_dp
74528  s_r_t2_4 = 0.0_dp
74529  s_r_t_5 = 0.0_dp
74530  s_r_t2_5 = 0.0_dp
74531  s_r_t_6 = 0.0_dp
74532  s_r_t2_6 = 0.0_dp
74533  s_r_t_7 = 0.0_dp
74534  s_r_t2_7 = 0.0_dp
74535  r_tmp = r_offset + r1*zeta/(zeta + zetb)
74536  rr2_delta = -r_tmp/dr
74537 
74538  rr2_l = ceiling(-r_c(2) + rr2_delta)
74539  rr2_r = floor(r_c(2) + rr2_delta)
74540 
74541  r = r_tmp + (rr2_l)*dr
74542 
74543  exp2_2rdr = exp(-2*alpha*r*dr)
74544  exp2_rsq = exp(-alpha*r*r)
74545 
74546  DO rr2 = rr2_l, rr2_r
74547  r_pow_t = 1.0_dp
74548  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
74549  r_pow_t = r_pow_t*r
74550  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
74551  r_pow_t = r_pow_t*r
74552  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
74553  r_pow_t = r_pow_t*r
74554  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
74555  r_pow_t = r_pow_t*r
74556  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
74557  r_pow_t = r_pow_t*r
74558  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
74559  r_pow_t = r_pow_t*r
74560  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
74561  r_pow_t = r_pow_t*r
74562  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
74563 
74564  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
74565  exp2_2rdr = exp2_2rdr*exp_2drsq
74566  r = r + dr
74567  END DO
74568 
74569  ! C --> H
74570  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
74571  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
74572  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
74573  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
74574  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
74575  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
74576  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
74577  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
74578  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
74579  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
74580  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
74581  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
74582  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
74583  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
74584  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
74585  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
74586  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
74587  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
74588  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
74589  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
74590  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
74591  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
74592  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
74593  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
74594  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
74595  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
74596  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
74597  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
74598  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
74599  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
74600  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
74601  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
74602  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
74603  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
74604  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
74605  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
74606 
74607  ! H --> HH
74608  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
74609 
74610  c1 = 1.0_dp/(zeta + zetb)
74611  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
74612  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
74613 
74614  e_0_1_0 = zeta*( &
74615  +c2*e_0_0_0&
74616 
74617  )
74618  e_0_0_1 = zetb*( &
74619  +c3*e_0_0_0&
74620 
74621  )
74622  e_1_1_0 = zeta*( c1*e_0_0_0 &
74623 
74624 
74625  )
74626  e_1_0_1 = zetb*( c1*e_0_0_0 &
74627 
74628 
74629  )
74630  e_0_2_0 = zeta*( &
74631  +c2*e_0_1_0&
74632  +2*e_1_1_0 &
74633  -2*e_0_0_0)
74634  e_0_1_1 = zetb*( &
74635  +c3*e_0_1_0&
74636  +2*e_1_1_0 &
74637  )
74638  e_1_2_0 = zeta*( c1*e_0_1_0 &
74639  +c2*e_1_1_0&
74640 
74641  )
74642  e_1_1_1 = zetb*( c1*e_0_1_0 &
74643  +c3*e_1_1_0&
74644 
74645  )
74646  e_2_2_0 = zeta*( c1*e_1_1_0 &
74647 
74648 
74649  )
74650  e_2_1_1 = zetb*( c1*e_1_1_0 &
74651 
74652 
74653  )
74654  e_0_2_1 = zetb*( &
74655  +c3*e_0_2_0&
74656  +2*e_1_2_0 &
74657  )
74658  e_1_2_1 = zetb*( c1*e_0_2_0 &
74659  +c3*e_1_2_0&
74660  +4*e_2_2_0 &
74661  )
74662  e_2_2_1 = zetb*( c1*e_1_2_0 &
74663  +c3*e_2_2_0&
74664 
74665  )
74666  e_3_2_1 = zetb*( c1*e_2_2_0 &
74667 
74668 
74669  )
74670  e_0_1_1 = zeta*( &
74671  +c2*e_0_0_1&
74672  +2*e_1_0_1 &
74673  )
74674  e_1_1_1 = zeta*( c1*e_0_0_1 &
74675  +c2*e_1_0_1&
74676 
74677  )
74678  e_2_1_1 = zeta*( c1*e_1_0_1 &
74679 
74680 
74681  )
74682  e_0_2_1 = zeta*( &
74683  +c2*e_0_1_1&
74684  +2*e_1_1_1 &
74685  -2*e_0_0_1)
74686  e_1_2_1 = zeta*( c1*e_0_1_1 &
74687  +c2*e_1_1_1&
74688  +4*e_2_1_1 &
74689  -2*e_1_0_1)
74690  e_2_2_1 = zeta*( c1*e_1_1_1 &
74691  +c2*e_2_1_1&
74692 
74693  )
74694  e_3_2_1 = zeta*( c1*e_2_1_1 &
74695 
74696 
74697  )
74698 
74699  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
74700  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
74701  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
74702  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
74703  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
74704  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
74705  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
74706  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
74707  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
74708  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
74709  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
74710  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
74711  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
74712  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
74713  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
74714  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
74715  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
74716  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
74717  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
74718  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
74719  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
74720  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
74721  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
74722  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
74723  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
74724  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
74725  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
74726  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
74727  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
74728  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
74729  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
74730  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
74731  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
74732  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
74733  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
74734  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
74735  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
74736  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
74737  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
74738  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
74739  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
74740  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
74741  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
74742  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
74743  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
74744  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
74745  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
74746  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
74747  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
74748  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
74749  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
74750  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
74751  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
74752  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
74753  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
74754  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
74755  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
74756  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
74757  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
74758  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
74759  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
74760  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
74761  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
74762  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
74763  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
74764  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
74765  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
74766  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
74767  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
74768  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
74769  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
74770  s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
74771  s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
74772  s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
74773  s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
74774  r1 = r1 + dr
74775  END DO
74776 
74777  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
74778  END SUBROUTINE
74779  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_2_0_exp_1 ( &
74780  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
74781  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
74782  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
74783  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
74784  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
74785  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
74786  r_pow_t, r_tmp, rr1_delta, rr2_delta
74787 
74788  REAL(kind=dp) :: c1, c2, c3
74789  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
74790  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
74791  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
74792  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
74793  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
74794  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
74795  & e_3_2_2, e_4_2_2
74796 
74797  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
74798 
74799  dr = lgth
74800  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
74801 
74802  s_r(:, :, :) = 0.0_dp
74803 
74804  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
74805 
74806  h_to_c_0_0 = sqrt(alpha/pi)
74807 
74808  h_to_c_0_1 = 0.0_dp
74809  h_to_c_1_1 = +2*alpha*h_to_c_0_0
74810  h_to_c_0_2 = -1*h_to_c_1_1
74811  h_to_c_1_2 = +2*alpha*h_to_c_0_1
74812  h_to_c_2_2 = +2*alpha*h_to_c_1_1
74813  h_to_c_0_3 = -1*h_to_c_1_2
74814  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
74815  h_to_c_2_3 = +2*alpha*h_to_c_1_2
74816  h_to_c_3_3 = +2*alpha*h_to_c_2_2
74817  h_to_c_0_4 = -1*h_to_c_1_3
74818  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
74819  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
74820  h_to_c_3_4 = +2*alpha*h_to_c_2_3
74821  h_to_c_4_4 = +2*alpha*h_to_c_3_3
74822 
74823  exp_drsq = exp(-alpha*dr*dr)
74824  exp_2drsq = exp_drsq*exp_drsq
74825 
74826  rr1_delta = (ra - rb)/dr
74827 
74828  rr1_l = ceiling(-r_c(1) + rr1_delta)
74829  rr1_r = floor(r_c(1) + rr1_delta)
74830 
74831  r1 = rr1_l*dr
74832 
74833  alpha_e = zeta*zetb/(zeta + zetb)
74834 
74835  DO rr1 = rr1_l, rr1_r
74836  s_r_t_0 = 0.0_dp
74837  s_r_t2_0 = 0.0_dp
74838  s_r_t_1 = 0.0_dp
74839  s_r_t2_1 = 0.0_dp
74840  s_r_t_2 = 0.0_dp
74841  s_r_t2_2 = 0.0_dp
74842  s_r_t_3 = 0.0_dp
74843  s_r_t2_3 = 0.0_dp
74844  s_r_t_4 = 0.0_dp
74845  s_r_t2_4 = 0.0_dp
74846  r_tmp = r_offset + r1*zeta/(zeta + zetb)
74847  rr2_delta = -r_tmp/dr
74848 
74849  rr2_l = ceiling(-r_c(2) + rr2_delta)
74850  rr2_r = floor(r_c(2) + rr2_delta)
74851 
74852  r = r_tmp + (rr2_l)*dr
74853 
74854  exp2_2rdr = exp(-2*alpha*r*dr)
74855  exp2_rsq = exp(-alpha*r*r)
74856 
74857  DO rr2 = rr2_l, rr2_r
74858  r_pow_t = 1.0_dp
74859  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
74860  r_pow_t = r_pow_t*r
74861  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
74862  r_pow_t = r_pow_t*r
74863  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
74864  r_pow_t = r_pow_t*r
74865  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
74866  r_pow_t = r_pow_t*r
74867  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
74868 
74869  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
74870  exp2_2rdr = exp2_2rdr*exp_2drsq
74871  r = r + dr
74872  END DO
74873 
74874  ! C --> H
74875  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
74876  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
74877  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
74878  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
74879  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
74880  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
74881  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
74882  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
74883  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
74884  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
74885  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
74886  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
74887  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
74888  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
74889  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
74890 
74891  ! H --> HH
74892  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
74893 
74894  c1 = 1.0_dp/(zeta + zetb)
74895  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
74896  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
74897 
74898  e_0_1_0 = zeta*( &
74899  +c2*e_0_0_0&
74900 
74901  )
74902  e_0_0_1 = zetb*( &
74903  +c3*e_0_0_0&
74904 
74905  )
74906  e_1_1_0 = zeta*( c1*e_0_0_0 &
74907 
74908 
74909  )
74910  e_1_0_1 = zetb*( c1*e_0_0_0 &
74911 
74912 
74913  )
74914  e_0_2_0 = zeta*( &
74915  +c2*e_0_1_0&
74916  +2*e_1_1_0 &
74917  -2*e_0_0_0)
74918  e_0_1_1 = zetb*( &
74919  +c3*e_0_1_0&
74920  +2*e_1_1_0 &
74921  )
74922  e_1_2_0 = zeta*( c1*e_0_1_0 &
74923  +c2*e_1_1_0&
74924 
74925  )
74926  e_1_1_1 = zetb*( c1*e_0_1_0 &
74927  +c3*e_1_1_0&
74928 
74929  )
74930  e_2_2_0 = zeta*( c1*e_1_1_0 &
74931 
74932 
74933  )
74934  e_2_1_1 = zetb*( c1*e_1_1_0 &
74935 
74936 
74937  )
74938  e_0_2_1 = zetb*( &
74939  +c3*e_0_2_0&
74940  +2*e_1_2_0 &
74941  )
74942  e_1_2_1 = zetb*( c1*e_0_2_0 &
74943  +c3*e_1_2_0&
74944  +4*e_2_2_0 &
74945  )
74946  e_2_2_1 = zetb*( c1*e_1_2_0 &
74947  +c3*e_2_2_0&
74948 
74949  )
74950  e_3_2_1 = zetb*( c1*e_2_2_0 &
74951 
74952 
74953  )
74954  e_0_1_1 = zeta*( &
74955  +c2*e_0_0_1&
74956  +2*e_1_0_1 &
74957  )
74958  e_0_0_2 = zetb*( &
74959  +c3*e_0_0_1&
74960  +2*e_1_0_1 &
74961  -2*e_0_0_0)
74962  e_1_1_1 = zeta*( c1*e_0_0_1 &
74963  +c2*e_1_0_1&
74964 
74965  )
74966  e_1_0_2 = zetb*( c1*e_0_0_1 &
74967  +c3*e_1_0_1&
74968 
74969  )
74970  e_2_1_1 = zeta*( c1*e_1_0_1 &
74971 
74972 
74973  )
74974  e_2_0_2 = zetb*( c1*e_1_0_1 &
74975 
74976 
74977  )
74978  e_0_2_1 = zeta*( &
74979  +c2*e_0_1_1&
74980  +2*e_1_1_1 &
74981  -2*e_0_0_1)
74982  e_0_1_2 = zetb*( &
74983  +c3*e_0_1_1&
74984  +2*e_1_1_1 &
74985  -2*e_0_1_0)
74986  e_1_2_1 = zeta*( c1*e_0_1_1 &
74987  +c2*e_1_1_1&
74988  +4*e_2_1_1 &
74989  -2*e_1_0_1)
74990  e_1_1_2 = zetb*( c1*e_0_1_1 &
74991  +c3*e_1_1_1&
74992  +4*e_2_1_1 &
74993  -2*e_1_1_0)
74994  e_2_2_1 = zeta*( c1*e_1_1_1 &
74995  +c2*e_2_1_1&
74996 
74997  )
74998  e_2_1_2 = zetb*( c1*e_1_1_1 &
74999  +c3*e_2_1_1&
75000 
75001  )
75002  e_3_2_1 = zeta*( c1*e_2_1_1 &
75003 
75004 
75005  )
75006  e_3_1_2 = zetb*( c1*e_2_1_1 &
75007 
75008 
75009  )
75010  e_0_2_2 = zetb*( &
75011  +c3*e_0_2_1&
75012  +2*e_1_2_1 &
75013  -2*e_0_2_0)
75014  e_1_2_2 = zetb*( c1*e_0_2_1 &
75015  +c3*e_1_2_1&
75016  +4*e_2_2_1 &
75017  -2*e_1_2_0)
75018  e_2_2_2 = zetb*( c1*e_1_2_1 &
75019  +c3*e_2_2_1&
75020  +6*e_3_2_1 &
75021  -2*e_2_2_0)
75022  e_3_2_2 = zetb*( c1*e_2_2_1 &
75023  +c3*e_3_2_1&
75024 
75025  )
75026  e_4_2_2 = zetb*( c1*e_3_2_1 &
75027 
75028 
75029  )
75030  e_0_1_2 = zeta*( &
75031  +c2*e_0_0_2&
75032  +2*e_1_0_2 &
75033  )
75034  e_1_1_2 = zeta*( c1*e_0_0_2 &
75035  +c2*e_1_0_2&
75036  +4*e_2_0_2 &
75037  )
75038  e_2_1_2 = zeta*( c1*e_1_0_2 &
75039  +c2*e_2_0_2&
75040 
75041  )
75042  e_3_1_2 = zeta*( c1*e_2_0_2 &
75043 
75044 
75045  )
75046  e_0_2_2 = zeta*( &
75047  +c2*e_0_1_2&
75048  +2*e_1_1_2 &
75049  -2*e_0_0_2)
75050  e_1_2_2 = zeta*( c1*e_0_1_2 &
75051  +c2*e_1_1_2&
75052  +4*e_2_1_2 &
75053  -2*e_1_0_2)
75054  e_2_2_2 = zeta*( c1*e_1_1_2 &
75055  +c2*e_2_1_2&
75056  +6*e_3_1_2 &
75057  -2*e_2_0_2)
75058  e_3_2_2 = zeta*( c1*e_2_1_2 &
75059  +c2*e_3_1_2&
75060 
75061  )
75062  e_4_2_2 = zeta*( c1*e_3_1_2 &
75063 
75064 
75065  )
75066 
75067  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
75068  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
75069  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
75070  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
75071  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
75072  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
75073  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
75074  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
75075  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
75076  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
75077  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
75078  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
75079  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
75080  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
75081  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
75082  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
75083  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
75084  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
75085  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
75086  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
75087  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
75088  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
75089  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
75090  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
75091  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
75092  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
75093  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
75094  r1 = r1 + dr
75095  END DO
75096 
75097  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
75098  END SUBROUTINE
75099  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_2_1_exp_1 ( &
75100  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
75101  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
75102  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
75103  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
75104  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
75105  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
75106  r_pow_t, r_tmp, rr1_delta, rr2_delta
75107 
75108  REAL(kind=dp) :: c1, c2, c3
75109  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
75110  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
75111  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
75112  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
75113  & h_to_c_4_5, h_to_c_5_5
75114  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
75115  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
75116  & e_3_2_2, e_4_2_2
75117 
75118  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
75119 
75120  dr = lgth
75121  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
75122 
75123  s_r(:, :, :) = 0.0_dp
75124 
75125  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
75126 
75127  h_to_c_0_0 = sqrt(alpha/pi)
75128 
75129  h_to_c_0_1 = 0.0_dp
75130  h_to_c_1_1 = +2*alpha*h_to_c_0_0
75131  h_to_c_0_2 = -1*h_to_c_1_1
75132  h_to_c_1_2 = +2*alpha*h_to_c_0_1
75133  h_to_c_2_2 = +2*alpha*h_to_c_1_1
75134  h_to_c_0_3 = -1*h_to_c_1_2
75135  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
75136  h_to_c_2_3 = +2*alpha*h_to_c_1_2
75137  h_to_c_3_3 = +2*alpha*h_to_c_2_2
75138  h_to_c_0_4 = -1*h_to_c_1_3
75139  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
75140  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
75141  h_to_c_3_4 = +2*alpha*h_to_c_2_3
75142  h_to_c_4_4 = +2*alpha*h_to_c_3_3
75143  h_to_c_0_5 = -1*h_to_c_1_4
75144  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
75145  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
75146  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
75147  h_to_c_4_5 = +2*alpha*h_to_c_3_4
75148  h_to_c_5_5 = +2*alpha*h_to_c_4_4
75149 
75150  exp_drsq = exp(-alpha*dr*dr)
75151  exp_2drsq = exp_drsq*exp_drsq
75152 
75153  rr1_delta = (ra - rb)/dr
75154 
75155  rr1_l = ceiling(-r_c(1) + rr1_delta)
75156  rr1_r = floor(r_c(1) + rr1_delta)
75157 
75158  r1 = rr1_l*dr
75159 
75160  alpha_e = zeta*zetb/(zeta + zetb)
75161 
75162  DO rr1 = rr1_l, rr1_r
75163  s_r_t_0 = 0.0_dp
75164  s_r_t2_0 = 0.0_dp
75165  s_r_t_1 = 0.0_dp
75166  s_r_t2_1 = 0.0_dp
75167  s_r_t_2 = 0.0_dp
75168  s_r_t2_2 = 0.0_dp
75169  s_r_t_3 = 0.0_dp
75170  s_r_t2_3 = 0.0_dp
75171  s_r_t_4 = 0.0_dp
75172  s_r_t2_4 = 0.0_dp
75173  s_r_t_5 = 0.0_dp
75174  s_r_t2_5 = 0.0_dp
75175  r_tmp = r_offset + r1*zeta/(zeta + zetb)
75176  rr2_delta = -r_tmp/dr
75177 
75178  rr2_l = ceiling(-r_c(2) + rr2_delta)
75179  rr2_r = floor(r_c(2) + rr2_delta)
75180 
75181  r = r_tmp + (rr2_l)*dr
75182 
75183  exp2_2rdr = exp(-2*alpha*r*dr)
75184  exp2_rsq = exp(-alpha*r*r)
75185 
75186  DO rr2 = rr2_l, rr2_r
75187  r_pow_t = 1.0_dp
75188  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
75189  r_pow_t = r_pow_t*r
75190  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
75191  r_pow_t = r_pow_t*r
75192  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
75193  r_pow_t = r_pow_t*r
75194  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
75195  r_pow_t = r_pow_t*r
75196  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
75197  r_pow_t = r_pow_t*r
75198  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
75199 
75200  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
75201  exp2_2rdr = exp2_2rdr*exp_2drsq
75202  r = r + dr
75203  END DO
75204 
75205  ! C --> H
75206  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
75207  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
75208  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
75209  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
75210  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
75211  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
75212  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
75213  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
75214  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
75215  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
75216  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
75217  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
75218  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
75219  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
75220  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
75221  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
75222  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
75223  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
75224  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
75225  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
75226  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
75227 
75228  ! H --> HH
75229  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
75230 
75231  c1 = 1.0_dp/(zeta + zetb)
75232  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
75233  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
75234 
75235  e_0_1_0 = zeta*( &
75236  +c2*e_0_0_0&
75237 
75238  )
75239  e_0_0_1 = zetb*( &
75240  +c3*e_0_0_0&
75241 
75242  )
75243  e_1_1_0 = zeta*( c1*e_0_0_0 &
75244 
75245 
75246  )
75247  e_1_0_1 = zetb*( c1*e_0_0_0 &
75248 
75249 
75250  )
75251  e_0_2_0 = zeta*( &
75252  +c2*e_0_1_0&
75253  +2*e_1_1_0 &
75254  -2*e_0_0_0)
75255  e_0_1_1 = zetb*( &
75256  +c3*e_0_1_0&
75257  +2*e_1_1_0 &
75258  )
75259  e_1_2_0 = zeta*( c1*e_0_1_0 &
75260  +c2*e_1_1_0&
75261 
75262  )
75263  e_1_1_1 = zetb*( c1*e_0_1_0 &
75264  +c3*e_1_1_0&
75265 
75266  )
75267  e_2_2_0 = zeta*( c1*e_1_1_0 &
75268 
75269 
75270  )
75271  e_2_1_1 = zetb*( c1*e_1_1_0 &
75272 
75273 
75274  )
75275  e_0_2_1 = zetb*( &
75276  +c3*e_0_2_0&
75277  +2*e_1_2_0 &
75278  )
75279  e_1_2_1 = zetb*( c1*e_0_2_0 &
75280  +c3*e_1_2_0&
75281  +4*e_2_2_0 &
75282  )
75283  e_2_2_1 = zetb*( c1*e_1_2_0 &
75284  +c3*e_2_2_0&
75285 
75286  )
75287  e_3_2_1 = zetb*( c1*e_2_2_0 &
75288 
75289 
75290  )
75291  e_0_1_1 = zeta*( &
75292  +c2*e_0_0_1&
75293  +2*e_1_0_1 &
75294  )
75295  e_0_0_2 = zetb*( &
75296  +c3*e_0_0_1&
75297  +2*e_1_0_1 &
75298  -2*e_0_0_0)
75299  e_1_1_1 = zeta*( c1*e_0_0_1 &
75300  +c2*e_1_0_1&
75301 
75302  )
75303  e_1_0_2 = zetb*( c1*e_0_0_1 &
75304  +c3*e_1_0_1&
75305 
75306  )
75307  e_2_1_1 = zeta*( c1*e_1_0_1 &
75308 
75309 
75310  )
75311  e_2_0_2 = zetb*( c1*e_1_0_1 &
75312 
75313 
75314  )
75315  e_0_2_1 = zeta*( &
75316  +c2*e_0_1_1&
75317  +2*e_1_1_1 &
75318  -2*e_0_0_1)
75319  e_0_1_2 = zetb*( &
75320  +c3*e_0_1_1&
75321  +2*e_1_1_1 &
75322  -2*e_0_1_0)
75323  e_1_2_1 = zeta*( c1*e_0_1_1 &
75324  +c2*e_1_1_1&
75325  +4*e_2_1_1 &
75326  -2*e_1_0_1)
75327  e_1_1_2 = zetb*( c1*e_0_1_1 &
75328  +c3*e_1_1_1&
75329  +4*e_2_1_1 &
75330  -2*e_1_1_0)
75331  e_2_2_1 = zeta*( c1*e_1_1_1 &
75332  +c2*e_2_1_1&
75333 
75334  )
75335  e_2_1_2 = zetb*( c1*e_1_1_1 &
75336  +c3*e_2_1_1&
75337 
75338  )
75339  e_3_2_1 = zeta*( c1*e_2_1_1 &
75340 
75341 
75342  )
75343  e_3_1_2 = zetb*( c1*e_2_1_1 &
75344 
75345 
75346  )
75347  e_0_2_2 = zetb*( &
75348  +c3*e_0_2_1&
75349  +2*e_1_2_1 &
75350  -2*e_0_2_0)
75351  e_1_2_2 = zetb*( c1*e_0_2_1 &
75352  +c3*e_1_2_1&
75353  +4*e_2_2_1 &
75354  -2*e_1_2_0)
75355  e_2_2_2 = zetb*( c1*e_1_2_1 &
75356  +c3*e_2_2_1&
75357  +6*e_3_2_1 &
75358  -2*e_2_2_0)
75359  e_3_2_2 = zetb*( c1*e_2_2_1 &
75360  +c3*e_3_2_1&
75361 
75362  )
75363  e_4_2_2 = zetb*( c1*e_3_2_1 &
75364 
75365 
75366  )
75367  e_0_1_2 = zeta*( &
75368  +c2*e_0_0_2&
75369  +2*e_1_0_2 &
75370  )
75371  e_1_1_2 = zeta*( c1*e_0_0_2 &
75372  +c2*e_1_0_2&
75373  +4*e_2_0_2 &
75374  )
75375  e_2_1_2 = zeta*( c1*e_1_0_2 &
75376  +c2*e_2_0_2&
75377 
75378  )
75379  e_3_1_2 = zeta*( c1*e_2_0_2 &
75380 
75381 
75382  )
75383  e_0_2_2 = zeta*( &
75384  +c2*e_0_1_2&
75385  +2*e_1_1_2 &
75386  -2*e_0_0_2)
75387  e_1_2_2 = zeta*( c1*e_0_1_2 &
75388  +c2*e_1_1_2&
75389  +4*e_2_1_2 &
75390  -2*e_1_0_2)
75391  e_2_2_2 = zeta*( c1*e_1_1_2 &
75392  +c2*e_2_1_2&
75393  +6*e_3_1_2 &
75394  -2*e_2_0_2)
75395  e_3_2_2 = zeta*( c1*e_2_1_2 &
75396  +c2*e_3_1_2&
75397 
75398  )
75399  e_4_2_2 = zeta*( c1*e_3_1_2 &
75400 
75401 
75402  )
75403 
75404  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
75405  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
75406  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
75407  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
75408  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
75409  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
75410  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
75411  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
75412  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
75413  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
75414  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
75415  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
75416  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
75417  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
75418  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
75419  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
75420  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
75421  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
75422  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
75423  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
75424  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
75425  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
75426  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
75427  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
75428  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
75429  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
75430  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
75431  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
75432  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
75433  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
75434  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
75435  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
75436  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
75437  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
75438  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
75439  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
75440  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
75441  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
75442  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
75443  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
75444  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
75445  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
75446  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
75447  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
75448  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
75449  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
75450  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
75451  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
75452  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
75453  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
75454  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
75455  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
75456  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
75457  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
75458  r1 = r1 + dr
75459  END DO
75460 
75461  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
75462  END SUBROUTINE
75463  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_2_2_exp_1 ( &
75464  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
75465  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
75466  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
75467  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
75468  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
75469  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
75470  r_pow_t, r_tmp, rr1_delta, rr2_delta
75471 
75472  REAL(kind=dp) :: c1, c2, c3
75473  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
75474  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
75475  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
75476  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
75477  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
75478  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
75479  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
75480  & e_3_2_2, e_4_2_2
75481 
75482  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
75483 
75484  dr = lgth
75485  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
75486 
75487  s_r(:, :, :) = 0.0_dp
75488 
75489  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
75490 
75491  h_to_c_0_0 = sqrt(alpha/pi)
75492 
75493  h_to_c_0_1 = 0.0_dp
75494  h_to_c_1_1 = +2*alpha*h_to_c_0_0
75495  h_to_c_0_2 = -1*h_to_c_1_1
75496  h_to_c_1_2 = +2*alpha*h_to_c_0_1
75497  h_to_c_2_2 = +2*alpha*h_to_c_1_1
75498  h_to_c_0_3 = -1*h_to_c_1_2
75499  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
75500  h_to_c_2_3 = +2*alpha*h_to_c_1_2
75501  h_to_c_3_3 = +2*alpha*h_to_c_2_2
75502  h_to_c_0_4 = -1*h_to_c_1_3
75503  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
75504  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
75505  h_to_c_3_4 = +2*alpha*h_to_c_2_3
75506  h_to_c_4_4 = +2*alpha*h_to_c_3_3
75507  h_to_c_0_5 = -1*h_to_c_1_4
75508  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
75509  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
75510  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
75511  h_to_c_4_5 = +2*alpha*h_to_c_3_4
75512  h_to_c_5_5 = +2*alpha*h_to_c_4_4
75513  h_to_c_0_6 = -1*h_to_c_1_5
75514  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
75515  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
75516  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
75517  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
75518  h_to_c_5_6 = +2*alpha*h_to_c_4_5
75519  h_to_c_6_6 = +2*alpha*h_to_c_5_5
75520 
75521  exp_drsq = exp(-alpha*dr*dr)
75522  exp_2drsq = exp_drsq*exp_drsq
75523 
75524  rr1_delta = (ra - rb)/dr
75525 
75526  rr1_l = ceiling(-r_c(1) + rr1_delta)
75527  rr1_r = floor(r_c(1) + rr1_delta)
75528 
75529  r1 = rr1_l*dr
75530 
75531  alpha_e = zeta*zetb/(zeta + zetb)
75532 
75533  DO rr1 = rr1_l, rr1_r
75534  s_r_t_0 = 0.0_dp
75535  s_r_t2_0 = 0.0_dp
75536  s_r_t_1 = 0.0_dp
75537  s_r_t2_1 = 0.0_dp
75538  s_r_t_2 = 0.0_dp
75539  s_r_t2_2 = 0.0_dp
75540  s_r_t_3 = 0.0_dp
75541  s_r_t2_3 = 0.0_dp
75542  s_r_t_4 = 0.0_dp
75543  s_r_t2_4 = 0.0_dp
75544  s_r_t_5 = 0.0_dp
75545  s_r_t2_5 = 0.0_dp
75546  s_r_t_6 = 0.0_dp
75547  s_r_t2_6 = 0.0_dp
75548  r_tmp = r_offset + r1*zeta/(zeta + zetb)
75549  rr2_delta = -r_tmp/dr
75550 
75551  rr2_l = ceiling(-r_c(2) + rr2_delta)
75552  rr2_r = floor(r_c(2) + rr2_delta)
75553 
75554  r = r_tmp + (rr2_l)*dr
75555 
75556  exp2_2rdr = exp(-2*alpha*r*dr)
75557  exp2_rsq = exp(-alpha*r*r)
75558 
75559  DO rr2 = rr2_l, rr2_r
75560  r_pow_t = 1.0_dp
75561  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
75562  r_pow_t = r_pow_t*r
75563  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
75564  r_pow_t = r_pow_t*r
75565  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
75566  r_pow_t = r_pow_t*r
75567  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
75568  r_pow_t = r_pow_t*r
75569  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
75570  r_pow_t = r_pow_t*r
75571  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
75572  r_pow_t = r_pow_t*r
75573  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
75574 
75575  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
75576  exp2_2rdr = exp2_2rdr*exp_2drsq
75577  r = r + dr
75578  END DO
75579 
75580  ! C --> H
75581  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
75582  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
75583  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
75584  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
75585  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
75586  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
75587  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
75588  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
75589  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
75590  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
75591  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
75592  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
75593  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
75594  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
75595  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
75596  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
75597  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
75598  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
75599  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
75600  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
75601  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
75602  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
75603  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
75604  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
75605  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
75606  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
75607  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
75608  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
75609 
75610  ! H --> HH
75611  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
75612 
75613  c1 = 1.0_dp/(zeta + zetb)
75614  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
75615  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
75616 
75617  e_0_1_0 = zeta*( &
75618  +c2*e_0_0_0&
75619 
75620  )
75621  e_0_0_1 = zetb*( &
75622  +c3*e_0_0_0&
75623 
75624  )
75625  e_1_1_0 = zeta*( c1*e_0_0_0 &
75626 
75627 
75628  )
75629  e_1_0_1 = zetb*( c1*e_0_0_0 &
75630 
75631 
75632  )
75633  e_0_2_0 = zeta*( &
75634  +c2*e_0_1_0&
75635  +2*e_1_1_0 &
75636  -2*e_0_0_0)
75637  e_0_1_1 = zetb*( &
75638  +c3*e_0_1_0&
75639  +2*e_1_1_0 &
75640  )
75641  e_1_2_0 = zeta*( c1*e_0_1_0 &
75642  +c2*e_1_1_0&
75643 
75644  )
75645  e_1_1_1 = zetb*( c1*e_0_1_0 &
75646  +c3*e_1_1_0&
75647 
75648  )
75649  e_2_2_0 = zeta*( c1*e_1_1_0 &
75650 
75651 
75652  )
75653  e_2_1_1 = zetb*( c1*e_1_1_0 &
75654 
75655 
75656  )
75657  e_0_2_1 = zetb*( &
75658  +c3*e_0_2_0&
75659  +2*e_1_2_0 &
75660  )
75661  e_1_2_1 = zetb*( c1*e_0_2_0 &
75662  +c3*e_1_2_0&
75663  +4*e_2_2_0 &
75664  )
75665  e_2_2_1 = zetb*( c1*e_1_2_0 &
75666  +c3*e_2_2_0&
75667 
75668  )
75669  e_3_2_1 = zetb*( c1*e_2_2_0 &
75670 
75671 
75672  )
75673  e_0_1_1 = zeta*( &
75674  +c2*e_0_0_1&
75675  +2*e_1_0_1 &
75676  )
75677  e_0_0_2 = zetb*( &
75678  +c3*e_0_0_1&
75679  +2*e_1_0_1 &
75680  -2*e_0_0_0)
75681  e_1_1_1 = zeta*( c1*e_0_0_1 &
75682  +c2*e_1_0_1&
75683 
75684  )
75685  e_1_0_2 = zetb*( c1*e_0_0_1 &
75686  +c3*e_1_0_1&
75687 
75688  )
75689  e_2_1_1 = zeta*( c1*e_1_0_1 &
75690 
75691 
75692  )
75693  e_2_0_2 = zetb*( c1*e_1_0_1 &
75694 
75695 
75696  )
75697  e_0_2_1 = zeta*( &
75698  +c2*e_0_1_1&
75699  +2*e_1_1_1 &
75700  -2*e_0_0_1)
75701  e_0_1_2 = zetb*( &
75702  +c3*e_0_1_1&
75703  +2*e_1_1_1 &
75704  -2*e_0_1_0)
75705  e_1_2_1 = zeta*( c1*e_0_1_1 &
75706  +c2*e_1_1_1&
75707  +4*e_2_1_1 &
75708  -2*e_1_0_1)
75709  e_1_1_2 = zetb*( c1*e_0_1_1 &
75710  +c3*e_1_1_1&
75711  +4*e_2_1_1 &
75712  -2*e_1_1_0)
75713  e_2_2_1 = zeta*( c1*e_1_1_1 &
75714  +c2*e_2_1_1&
75715 
75716  )
75717  e_2_1_2 = zetb*( c1*e_1_1_1 &
75718  +c3*e_2_1_1&
75719 
75720  )
75721  e_3_2_1 = zeta*( c1*e_2_1_1 &
75722 
75723 
75724  )
75725  e_3_1_2 = zetb*( c1*e_2_1_1 &
75726 
75727 
75728  )
75729  e_0_2_2 = zetb*( &
75730  +c3*e_0_2_1&
75731  +2*e_1_2_1 &
75732  -2*e_0_2_0)
75733  e_1_2_2 = zetb*( c1*e_0_2_1 &
75734  +c3*e_1_2_1&
75735  +4*e_2_2_1 &
75736  -2*e_1_2_0)
75737  e_2_2_2 = zetb*( c1*e_1_2_1 &
75738  +c3*e_2_2_1&
75739  +6*e_3_2_1 &
75740  -2*e_2_2_0)
75741  e_3_2_2 = zetb*( c1*e_2_2_1 &
75742  +c3*e_3_2_1&
75743 
75744  )
75745  e_4_2_2 = zetb*( c1*e_3_2_1 &
75746 
75747 
75748  )
75749  e_0_1_2 = zeta*( &
75750  +c2*e_0_0_2&
75751  +2*e_1_0_2 &
75752  )
75753  e_1_1_2 = zeta*( c1*e_0_0_2 &
75754  +c2*e_1_0_2&
75755  +4*e_2_0_2 &
75756  )
75757  e_2_1_2 = zeta*( c1*e_1_0_2 &
75758  +c2*e_2_0_2&
75759 
75760  )
75761  e_3_1_2 = zeta*( c1*e_2_0_2 &
75762 
75763 
75764  )
75765  e_0_2_2 = zeta*( &
75766  +c2*e_0_1_2&
75767  +2*e_1_1_2 &
75768  -2*e_0_0_2)
75769  e_1_2_2 = zeta*( c1*e_0_1_2 &
75770  +c2*e_1_1_2&
75771  +4*e_2_1_2 &
75772  -2*e_1_0_2)
75773  e_2_2_2 = zeta*( c1*e_1_1_2 &
75774  +c2*e_2_1_2&
75775  +6*e_3_1_2 &
75776  -2*e_2_0_2)
75777  e_3_2_2 = zeta*( c1*e_2_1_2 &
75778  +c2*e_3_1_2&
75779 
75780  )
75781  e_4_2_2 = zeta*( c1*e_3_1_2 &
75782 
75783 
75784  )
75785 
75786  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
75787  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
75788  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
75789  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
75790  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
75791  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
75792  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
75793  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
75794  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
75795  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
75796  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
75797  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
75798  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
75799  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
75800  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
75801  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
75802  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
75803  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
75804  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
75805  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
75806  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
75807  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
75808  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
75809  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
75810  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
75811  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
75812  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
75813  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
75814  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
75815  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
75816  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
75817  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
75818  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
75819  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
75820  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
75821  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
75822  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
75823  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
75824  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
75825  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
75826  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
75827  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
75828  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
75829  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
75830  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
75831  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
75832  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
75833  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
75834  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
75835  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
75836  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
75837  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
75838  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
75839  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
75840  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
75841  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
75842  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
75843  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
75844  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
75845  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
75846  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
75847  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
75848  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
75849  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
75850  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
75851  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
75852  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
75853  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
75854  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
75855  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
75856  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
75857  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
75858  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
75859  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
75860  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
75861  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
75862  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
75863  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
75864  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
75865  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
75866  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
75867  r1 = r1 + dr
75868  END DO
75869 
75870  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
75871  END SUBROUTINE
75872  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_2_3_exp_1 ( &
75873  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
75874  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
75875  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
75876  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
75877  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
75878  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
75879  r_pow_t, r_tmp, rr1_delta, rr2_delta
75880 
75881  REAL(kind=dp) :: c1, c2, c3
75882  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
75883  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
75884  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
75885  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
75886  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
75887  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
75888  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
75889  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
75890  & e_3_2_2, e_4_2_2
75891 
75892  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
75893 
75894  dr = lgth
75895  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
75896 
75897  s_r(:, :, :) = 0.0_dp
75898 
75899  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
75900 
75901  h_to_c_0_0 = sqrt(alpha/pi)
75902 
75903  h_to_c_0_1 = 0.0_dp
75904  h_to_c_1_1 = +2*alpha*h_to_c_0_0
75905  h_to_c_0_2 = -1*h_to_c_1_1
75906  h_to_c_1_2 = +2*alpha*h_to_c_0_1
75907  h_to_c_2_2 = +2*alpha*h_to_c_1_1
75908  h_to_c_0_3 = -1*h_to_c_1_2
75909  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
75910  h_to_c_2_3 = +2*alpha*h_to_c_1_2
75911  h_to_c_3_3 = +2*alpha*h_to_c_2_2
75912  h_to_c_0_4 = -1*h_to_c_1_3
75913  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
75914  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
75915  h_to_c_3_4 = +2*alpha*h_to_c_2_3
75916  h_to_c_4_4 = +2*alpha*h_to_c_3_3
75917  h_to_c_0_5 = -1*h_to_c_1_4
75918  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
75919  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
75920  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
75921  h_to_c_4_5 = +2*alpha*h_to_c_3_4
75922  h_to_c_5_5 = +2*alpha*h_to_c_4_4
75923  h_to_c_0_6 = -1*h_to_c_1_5
75924  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
75925  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
75926  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
75927  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
75928  h_to_c_5_6 = +2*alpha*h_to_c_4_5
75929  h_to_c_6_6 = +2*alpha*h_to_c_5_5
75930  h_to_c_0_7 = -1*h_to_c_1_6
75931  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
75932  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
75933  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
75934  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
75935  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
75936  h_to_c_6_7 = +2*alpha*h_to_c_5_6
75937  h_to_c_7_7 = +2*alpha*h_to_c_6_6
75938 
75939  exp_drsq = exp(-alpha*dr*dr)
75940  exp_2drsq = exp_drsq*exp_drsq
75941 
75942  rr1_delta = (ra - rb)/dr
75943 
75944  rr1_l = ceiling(-r_c(1) + rr1_delta)
75945  rr1_r = floor(r_c(1) + rr1_delta)
75946 
75947  r1 = rr1_l*dr
75948 
75949  alpha_e = zeta*zetb/(zeta + zetb)
75950 
75951  DO rr1 = rr1_l, rr1_r
75952  s_r_t_0 = 0.0_dp
75953  s_r_t2_0 = 0.0_dp
75954  s_r_t_1 = 0.0_dp
75955  s_r_t2_1 = 0.0_dp
75956  s_r_t_2 = 0.0_dp
75957  s_r_t2_2 = 0.0_dp
75958  s_r_t_3 = 0.0_dp
75959  s_r_t2_3 = 0.0_dp
75960  s_r_t_4 = 0.0_dp
75961  s_r_t2_4 = 0.0_dp
75962  s_r_t_5 = 0.0_dp
75963  s_r_t2_5 = 0.0_dp
75964  s_r_t_6 = 0.0_dp
75965  s_r_t2_6 = 0.0_dp
75966  s_r_t_7 = 0.0_dp
75967  s_r_t2_7 = 0.0_dp
75968  r_tmp = r_offset + r1*zeta/(zeta + zetb)
75969  rr2_delta = -r_tmp/dr
75970 
75971  rr2_l = ceiling(-r_c(2) + rr2_delta)
75972  rr2_r = floor(r_c(2) + rr2_delta)
75973 
75974  r = r_tmp + (rr2_l)*dr
75975 
75976  exp2_2rdr = exp(-2*alpha*r*dr)
75977  exp2_rsq = exp(-alpha*r*r)
75978 
75979  DO rr2 = rr2_l, rr2_r
75980  r_pow_t = 1.0_dp
75981  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
75982  r_pow_t = r_pow_t*r
75983  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
75984  r_pow_t = r_pow_t*r
75985  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
75986  r_pow_t = r_pow_t*r
75987  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
75988  r_pow_t = r_pow_t*r
75989  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
75990  r_pow_t = r_pow_t*r
75991  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
75992  r_pow_t = r_pow_t*r
75993  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
75994  r_pow_t = r_pow_t*r
75995  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
75996 
75997  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
75998  exp2_2rdr = exp2_2rdr*exp_2drsq
75999  r = r + dr
76000  END DO
76001 
76002  ! C --> H
76003  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
76004  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
76005  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
76006  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
76007  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
76008  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
76009  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
76010  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
76011  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
76012  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
76013  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
76014  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
76015  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
76016  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
76017  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
76018  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
76019  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
76020  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
76021  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
76022  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
76023  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
76024  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
76025  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
76026  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
76027  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
76028  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
76029  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
76030  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
76031  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
76032  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
76033  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
76034  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
76035  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
76036  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
76037  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
76038  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
76039 
76040  ! H --> HH
76041  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
76042 
76043  c1 = 1.0_dp/(zeta + zetb)
76044  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
76045  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
76046 
76047  e_0_1_0 = zeta*( &
76048  +c2*e_0_0_0&
76049 
76050  )
76051  e_0_0_1 = zetb*( &
76052  +c3*e_0_0_0&
76053 
76054  )
76055  e_1_1_0 = zeta*( c1*e_0_0_0 &
76056 
76057 
76058  )
76059  e_1_0_1 = zetb*( c1*e_0_0_0 &
76060 
76061 
76062  )
76063  e_0_2_0 = zeta*( &
76064  +c2*e_0_1_0&
76065  +2*e_1_1_0 &
76066  -2*e_0_0_0)
76067  e_0_1_1 = zetb*( &
76068  +c3*e_0_1_0&
76069  +2*e_1_1_0 &
76070  )
76071  e_1_2_0 = zeta*( c1*e_0_1_0 &
76072  +c2*e_1_1_0&
76073 
76074  )
76075  e_1_1_1 = zetb*( c1*e_0_1_0 &
76076  +c3*e_1_1_0&
76077 
76078  )
76079  e_2_2_0 = zeta*( c1*e_1_1_0 &
76080 
76081 
76082  )
76083  e_2_1_1 = zetb*( c1*e_1_1_0 &
76084 
76085 
76086  )
76087  e_0_2_1 = zetb*( &
76088  +c3*e_0_2_0&
76089  +2*e_1_2_0 &
76090  )
76091  e_1_2_1 = zetb*( c1*e_0_2_0 &
76092  +c3*e_1_2_0&
76093  +4*e_2_2_0 &
76094  )
76095  e_2_2_1 = zetb*( c1*e_1_2_0 &
76096  +c3*e_2_2_0&
76097 
76098  )
76099  e_3_2_1 = zetb*( c1*e_2_2_0 &
76100 
76101 
76102  )
76103  e_0_1_1 = zeta*( &
76104  +c2*e_0_0_1&
76105  +2*e_1_0_1 &
76106  )
76107  e_0_0_2 = zetb*( &
76108  +c3*e_0_0_1&
76109  +2*e_1_0_1 &
76110  -2*e_0_0_0)
76111  e_1_1_1 = zeta*( c1*e_0_0_1 &
76112  +c2*e_1_0_1&
76113 
76114  )
76115  e_1_0_2 = zetb*( c1*e_0_0_1 &
76116  +c3*e_1_0_1&
76117 
76118  )
76119  e_2_1_1 = zeta*( c1*e_1_0_1 &
76120 
76121 
76122  )
76123  e_2_0_2 = zetb*( c1*e_1_0_1 &
76124 
76125 
76126  )
76127  e_0_2_1 = zeta*( &
76128  +c2*e_0_1_1&
76129  +2*e_1_1_1 &
76130  -2*e_0_0_1)
76131  e_0_1_2 = zetb*( &
76132  +c3*e_0_1_1&
76133  +2*e_1_1_1 &
76134  -2*e_0_1_0)
76135  e_1_2_1 = zeta*( c1*e_0_1_1 &
76136  +c2*e_1_1_1&
76137  +4*e_2_1_1 &
76138  -2*e_1_0_1)
76139  e_1_1_2 = zetb*( c1*e_0_1_1 &
76140  +c3*e_1_1_1&
76141  +4*e_2_1_1 &
76142  -2*e_1_1_0)
76143  e_2_2_1 = zeta*( c1*e_1_1_1 &
76144  +c2*e_2_1_1&
76145 
76146  )
76147  e_2_1_2 = zetb*( c1*e_1_1_1 &
76148  +c3*e_2_1_1&
76149 
76150  )
76151  e_3_2_1 = zeta*( c1*e_2_1_1 &
76152 
76153 
76154  )
76155  e_3_1_2 = zetb*( c1*e_2_1_1 &
76156 
76157 
76158  )
76159  e_0_2_2 = zetb*( &
76160  +c3*e_0_2_1&
76161  +2*e_1_2_1 &
76162  -2*e_0_2_0)
76163  e_1_2_2 = zetb*( c1*e_0_2_1 &
76164  +c3*e_1_2_1&
76165  +4*e_2_2_1 &
76166  -2*e_1_2_0)
76167  e_2_2_2 = zetb*( c1*e_1_2_1 &
76168  +c3*e_2_2_1&
76169  +6*e_3_2_1 &
76170  -2*e_2_2_0)
76171  e_3_2_2 = zetb*( c1*e_2_2_1 &
76172  +c3*e_3_2_1&
76173 
76174  )
76175  e_4_2_2 = zetb*( c1*e_3_2_1 &
76176 
76177 
76178  )
76179  e_0_1_2 = zeta*( &
76180  +c2*e_0_0_2&
76181  +2*e_1_0_2 &
76182  )
76183  e_1_1_2 = zeta*( c1*e_0_0_2 &
76184  +c2*e_1_0_2&
76185  +4*e_2_0_2 &
76186  )
76187  e_2_1_2 = zeta*( c1*e_1_0_2 &
76188  +c2*e_2_0_2&
76189 
76190  )
76191  e_3_1_2 = zeta*( c1*e_2_0_2 &
76192 
76193 
76194  )
76195  e_0_2_2 = zeta*( &
76196  +c2*e_0_1_2&
76197  +2*e_1_1_2 &
76198  -2*e_0_0_2)
76199  e_1_2_2 = zeta*( c1*e_0_1_2 &
76200  +c2*e_1_1_2&
76201  +4*e_2_1_2 &
76202  -2*e_1_0_2)
76203  e_2_2_2 = zeta*( c1*e_1_1_2 &
76204  +c2*e_2_1_2&
76205  +6*e_3_1_2 &
76206  -2*e_2_0_2)
76207  e_3_2_2 = zeta*( c1*e_2_1_2 &
76208  +c2*e_3_1_2&
76209 
76210  )
76211  e_4_2_2 = zeta*( c1*e_3_1_2 &
76212 
76213 
76214  )
76215 
76216  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
76217  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
76218  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
76219  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
76220  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
76221  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
76222  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
76223  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
76224  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
76225  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
76226  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
76227  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
76228  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
76229  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
76230  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
76231  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
76232  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
76233  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
76234  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
76235  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
76236  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
76237  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
76238  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
76239  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
76240  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
76241  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
76242  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
76243  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
76244  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
76245  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
76246  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
76247  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
76248  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
76249  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
76250  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
76251  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
76252  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
76253  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
76254  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
76255  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
76256  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
76257  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
76258  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
76259  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
76260  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
76261  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
76262  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
76263  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
76264  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
76265  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
76266  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
76267  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
76268  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
76269  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
76270  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
76271  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
76272  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
76273  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
76274  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
76275  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
76276  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
76277  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
76278  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
76279  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
76280  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
76281  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
76282  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
76283  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
76284  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
76285  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
76286  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
76287  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
76288  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
76289  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
76290  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
76291  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
76292  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
76293  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
76294  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
76295  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
76296  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
76297  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
76298  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
76299  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
76300  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
76301  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
76302  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
76303  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
76304  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
76305  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
76306  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
76307  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
76308  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
76309  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
76310  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
76311  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
76312  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
76313  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
76314  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
76315  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
76316  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
76317  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
76318  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
76319  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
76320  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
76321  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
76322  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
76323  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
76324  r1 = r1 + dr
76325  END DO
76326 
76327  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
76328  END SUBROUTINE
76329  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_2_4_exp_1 ( &
76330  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
76331  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
76332  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
76333  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
76334  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
76335  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
76336  r_pow_t, r_tmp, rr1_delta, rr2_delta
76337 
76338  REAL(kind=dp) :: c1, c2, c3
76339  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
76340  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
76341  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
76342  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
76343  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
76344  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
76345  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
76346  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
76347  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
76348  & e_3_2_2, e_4_2_2
76349 
76350  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
76351 
76352  dr = lgth
76353  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
76354 
76355  s_r(:, :, :) = 0.0_dp
76356 
76357  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
76358 
76359  h_to_c_0_0 = sqrt(alpha/pi)
76360 
76361  h_to_c_0_1 = 0.0_dp
76362  h_to_c_1_1 = +2*alpha*h_to_c_0_0
76363  h_to_c_0_2 = -1*h_to_c_1_1
76364  h_to_c_1_2 = +2*alpha*h_to_c_0_1
76365  h_to_c_2_2 = +2*alpha*h_to_c_1_1
76366  h_to_c_0_3 = -1*h_to_c_1_2
76367  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
76368  h_to_c_2_3 = +2*alpha*h_to_c_1_2
76369  h_to_c_3_3 = +2*alpha*h_to_c_2_2
76370  h_to_c_0_4 = -1*h_to_c_1_3
76371  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
76372  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
76373  h_to_c_3_4 = +2*alpha*h_to_c_2_3
76374  h_to_c_4_4 = +2*alpha*h_to_c_3_3
76375  h_to_c_0_5 = -1*h_to_c_1_4
76376  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
76377  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
76378  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
76379  h_to_c_4_5 = +2*alpha*h_to_c_3_4
76380  h_to_c_5_5 = +2*alpha*h_to_c_4_4
76381  h_to_c_0_6 = -1*h_to_c_1_5
76382  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
76383  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
76384  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
76385  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
76386  h_to_c_5_6 = +2*alpha*h_to_c_4_5
76387  h_to_c_6_6 = +2*alpha*h_to_c_5_5
76388  h_to_c_0_7 = -1*h_to_c_1_6
76389  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
76390  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
76391  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
76392  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
76393  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
76394  h_to_c_6_7 = +2*alpha*h_to_c_5_6
76395  h_to_c_7_7 = +2*alpha*h_to_c_6_6
76396  h_to_c_0_8 = -1*h_to_c_1_7
76397  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
76398  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
76399  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
76400  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
76401  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
76402  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
76403  h_to_c_7_8 = +2*alpha*h_to_c_6_7
76404  h_to_c_8_8 = +2*alpha*h_to_c_7_7
76405 
76406  exp_drsq = exp(-alpha*dr*dr)
76407  exp_2drsq = exp_drsq*exp_drsq
76408 
76409  rr1_delta = (ra - rb)/dr
76410 
76411  rr1_l = ceiling(-r_c(1) + rr1_delta)
76412  rr1_r = floor(r_c(1) + rr1_delta)
76413 
76414  r1 = rr1_l*dr
76415 
76416  alpha_e = zeta*zetb/(zeta + zetb)
76417 
76418  DO rr1 = rr1_l, rr1_r
76419  s_r_t_0 = 0.0_dp
76420  s_r_t2_0 = 0.0_dp
76421  s_r_t_1 = 0.0_dp
76422  s_r_t2_1 = 0.0_dp
76423  s_r_t_2 = 0.0_dp
76424  s_r_t2_2 = 0.0_dp
76425  s_r_t_3 = 0.0_dp
76426  s_r_t2_3 = 0.0_dp
76427  s_r_t_4 = 0.0_dp
76428  s_r_t2_4 = 0.0_dp
76429  s_r_t_5 = 0.0_dp
76430  s_r_t2_5 = 0.0_dp
76431  s_r_t_6 = 0.0_dp
76432  s_r_t2_6 = 0.0_dp
76433  s_r_t_7 = 0.0_dp
76434  s_r_t2_7 = 0.0_dp
76435  s_r_t_8 = 0.0_dp
76436  s_r_t2_8 = 0.0_dp
76437  r_tmp = r_offset + r1*zeta/(zeta + zetb)
76438  rr2_delta = -r_tmp/dr
76439 
76440  rr2_l = ceiling(-r_c(2) + rr2_delta)
76441  rr2_r = floor(r_c(2) + rr2_delta)
76442 
76443  r = r_tmp + (rr2_l)*dr
76444 
76445  exp2_2rdr = exp(-2*alpha*r*dr)
76446  exp2_rsq = exp(-alpha*r*r)
76447 
76448  DO rr2 = rr2_l, rr2_r
76449  r_pow_t = 1.0_dp
76450  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
76451  r_pow_t = r_pow_t*r
76452  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
76453  r_pow_t = r_pow_t*r
76454  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
76455  r_pow_t = r_pow_t*r
76456  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
76457  r_pow_t = r_pow_t*r
76458  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
76459  r_pow_t = r_pow_t*r
76460  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
76461  r_pow_t = r_pow_t*r
76462  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
76463  r_pow_t = r_pow_t*r
76464  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
76465  r_pow_t = r_pow_t*r
76466  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
76467 
76468  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
76469  exp2_2rdr = exp2_2rdr*exp_2drsq
76470  r = r + dr
76471  END DO
76472 
76473  ! C --> H
76474  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
76475  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
76476  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
76477  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
76478  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
76479  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
76480  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
76481  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
76482  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
76483  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
76484  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
76485  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
76486  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
76487  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
76488  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
76489  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
76490  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
76491  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
76492  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
76493  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
76494  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
76495  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
76496  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
76497  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
76498  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
76499  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
76500  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
76501  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
76502  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
76503  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
76504  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
76505  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
76506  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
76507  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
76508  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
76509  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
76510  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
76511  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
76512  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
76513  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
76514  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
76515  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
76516  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
76517  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
76518  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
76519 
76520  ! H --> HH
76521  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
76522 
76523  c1 = 1.0_dp/(zeta + zetb)
76524  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
76525  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
76526 
76527  e_0_1_0 = zeta*( &
76528  +c2*e_0_0_0&
76529 
76530  )
76531  e_0_0_1 = zetb*( &
76532  +c3*e_0_0_0&
76533 
76534  )
76535  e_1_1_0 = zeta*( c1*e_0_0_0 &
76536 
76537 
76538  )
76539  e_1_0_1 = zetb*( c1*e_0_0_0 &
76540 
76541 
76542  )
76543  e_0_2_0 = zeta*( &
76544  +c2*e_0_1_0&
76545  +2*e_1_1_0 &
76546  -2*e_0_0_0)
76547  e_0_1_1 = zetb*( &
76548  +c3*e_0_1_0&
76549  +2*e_1_1_0 &
76550  )
76551  e_1_2_0 = zeta*( c1*e_0_1_0 &
76552  +c2*e_1_1_0&
76553 
76554  )
76555  e_1_1_1 = zetb*( c1*e_0_1_0 &
76556  +c3*e_1_1_0&
76557 
76558  )
76559  e_2_2_0 = zeta*( c1*e_1_1_0 &
76560 
76561 
76562  )
76563  e_2_1_1 = zetb*( c1*e_1_1_0 &
76564 
76565 
76566  )
76567  e_0_2_1 = zetb*( &
76568  +c3*e_0_2_0&
76569  +2*e_1_2_0 &
76570  )
76571  e_1_2_1 = zetb*( c1*e_0_2_0 &
76572  +c3*e_1_2_0&
76573  +4*e_2_2_0 &
76574  )
76575  e_2_2_1 = zetb*( c1*e_1_2_0 &
76576  +c3*e_2_2_0&
76577 
76578  )
76579  e_3_2_1 = zetb*( c1*e_2_2_0 &
76580 
76581 
76582  )
76583  e_0_1_1 = zeta*( &
76584  +c2*e_0_0_1&
76585  +2*e_1_0_1 &
76586  )
76587  e_0_0_2 = zetb*( &
76588  +c3*e_0_0_1&
76589  +2*e_1_0_1 &
76590  -2*e_0_0_0)
76591  e_1_1_1 = zeta*( c1*e_0_0_1 &
76592  +c2*e_1_0_1&
76593 
76594  )
76595  e_1_0_2 = zetb*( c1*e_0_0_1 &
76596  +c3*e_1_0_1&
76597 
76598  )
76599  e_2_1_1 = zeta*( c1*e_1_0_1 &
76600 
76601 
76602  )
76603  e_2_0_2 = zetb*( c1*e_1_0_1 &
76604 
76605 
76606  )
76607  e_0_2_1 = zeta*( &
76608  +c2*e_0_1_1&
76609  +2*e_1_1_1 &
76610  -2*e_0_0_1)
76611  e_0_1_2 = zetb*( &
76612  +c3*e_0_1_1&
76613  +2*e_1_1_1 &
76614  -2*e_0_1_0)
76615  e_1_2_1 = zeta*( c1*e_0_1_1 &
76616  +c2*e_1_1_1&
76617  +4*e_2_1_1 &
76618  -2*e_1_0_1)
76619  e_1_1_2 = zetb*( c1*e_0_1_1 &
76620  +c3*e_1_1_1&
76621  +4*e_2_1_1 &
76622  -2*e_1_1_0)
76623  e_2_2_1 = zeta*( c1*e_1_1_1 &
76624  +c2*e_2_1_1&
76625 
76626  )
76627  e_2_1_2 = zetb*( c1*e_1_1_1 &
76628  +c3*e_2_1_1&
76629 
76630  )
76631  e_3_2_1 = zeta*( c1*e_2_1_1 &
76632 
76633 
76634  )
76635  e_3_1_2 = zetb*( c1*e_2_1_1 &
76636 
76637 
76638  )
76639  e_0_2_2 = zetb*( &
76640  +c3*e_0_2_1&
76641  +2*e_1_2_1 &
76642  -2*e_0_2_0)
76643  e_1_2_2 = zetb*( c1*e_0_2_1 &
76644  +c3*e_1_2_1&
76645  +4*e_2_2_1 &
76646  -2*e_1_2_0)
76647  e_2_2_2 = zetb*( c1*e_1_2_1 &
76648  +c3*e_2_2_1&
76649  +6*e_3_2_1 &
76650  -2*e_2_2_0)
76651  e_3_2_2 = zetb*( c1*e_2_2_1 &
76652  +c3*e_3_2_1&
76653 
76654  )
76655  e_4_2_2 = zetb*( c1*e_3_2_1 &
76656 
76657 
76658  )
76659  e_0_1_2 = zeta*( &
76660  +c2*e_0_0_2&
76661  +2*e_1_0_2 &
76662  )
76663  e_1_1_2 = zeta*( c1*e_0_0_2 &
76664  +c2*e_1_0_2&
76665  +4*e_2_0_2 &
76666  )
76667  e_2_1_2 = zeta*( c1*e_1_0_2 &
76668  +c2*e_2_0_2&
76669 
76670  )
76671  e_3_1_2 = zeta*( c1*e_2_0_2 &
76672 
76673 
76674  )
76675  e_0_2_2 = zeta*( &
76676  +c2*e_0_1_2&
76677  +2*e_1_1_2 &
76678  -2*e_0_0_2)
76679  e_1_2_2 = zeta*( c1*e_0_1_2 &
76680  +c2*e_1_1_2&
76681  +4*e_2_1_2 &
76682  -2*e_1_0_2)
76683  e_2_2_2 = zeta*( c1*e_1_1_2 &
76684  +c2*e_2_1_2&
76685  +6*e_3_1_2 &
76686  -2*e_2_0_2)
76687  e_3_2_2 = zeta*( c1*e_2_1_2 &
76688  +c2*e_3_1_2&
76689 
76690  )
76691  e_4_2_2 = zeta*( c1*e_3_1_2 &
76692 
76693 
76694  )
76695 
76696  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
76697  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
76698  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
76699  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
76700  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
76701  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
76702  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
76703  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
76704  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
76705  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
76706  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
76707  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
76708  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
76709  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
76710  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
76711  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
76712  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
76713  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
76714  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
76715  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
76716  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
76717  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
76718  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
76719  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
76720  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
76721  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
76722  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
76723  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
76724  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
76725  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
76726  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
76727  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
76728  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
76729  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
76730  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
76731  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
76732  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
76733  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
76734  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
76735  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
76736  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
76737  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
76738  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
76739  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
76740  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
76741  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
76742  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
76743  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
76744  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
76745  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
76746  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
76747  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
76748  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
76749  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
76750  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
76751  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
76752  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
76753  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
76754  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
76755  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
76756  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
76757  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
76758  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
76759  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
76760  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
76761  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
76762  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
76763  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
76764  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
76765  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
76766  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
76767  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
76768  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
76769  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
76770  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
76771  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
76772  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
76773  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
76774  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
76775  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
76776  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
76777  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
76778  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
76779  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
76780  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
76781  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
76782  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
76783  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
76784  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
76785  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
76786  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
76787  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
76788  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
76789  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
76790  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
76791  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
76792  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
76793  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
76794  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
76795  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
76796  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
76797  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
76798  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
76799  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
76800  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
76801  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
76802  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
76803  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
76804  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
76805  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
76806  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
76807  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
76808  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
76809  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
76810  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
76811  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
76812  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
76813  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
76814  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
76815  s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
76816  s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
76817  s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
76818  s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
76819  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
76820  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
76821  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
76822  s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
76823  s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
76824  s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
76825  s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
76826  s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
76827  s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
76828  s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
76829  s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
76830  s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
76831  r1 = r1 + dr
76832  END DO
76833 
76834  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
76835  END SUBROUTINE
76836  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_3_0_exp_1 ( &
76837  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
76838  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
76839  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
76840  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
76841  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
76842  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
76843  r_pow_t, r_tmp, rr1_delta, rr2_delta
76844 
76845  REAL(kind=dp) :: c1, c2, c3
76846  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
76847  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
76848  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
76849  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
76850  & h_to_c_4_5, h_to_c_5_5
76851  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
76852  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
76853  & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
76854  & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3
76855 
76856  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
76857 
76858  dr = lgth
76859  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
76860 
76861  s_r(:, :, :) = 0.0_dp
76862 
76863  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
76864 
76865  h_to_c_0_0 = sqrt(alpha/pi)
76866 
76867  h_to_c_0_1 = 0.0_dp
76868  h_to_c_1_1 = +2*alpha*h_to_c_0_0
76869  h_to_c_0_2 = -1*h_to_c_1_1
76870  h_to_c_1_2 = +2*alpha*h_to_c_0_1
76871  h_to_c_2_2 = +2*alpha*h_to_c_1_1
76872  h_to_c_0_3 = -1*h_to_c_1_2
76873  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
76874  h_to_c_2_3 = +2*alpha*h_to_c_1_2
76875  h_to_c_3_3 = +2*alpha*h_to_c_2_2
76876  h_to_c_0_4 = -1*h_to_c_1_3
76877  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
76878  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
76879  h_to_c_3_4 = +2*alpha*h_to_c_2_3
76880  h_to_c_4_4 = +2*alpha*h_to_c_3_3
76881  h_to_c_0_5 = -1*h_to_c_1_4
76882  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
76883  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
76884  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
76885  h_to_c_4_5 = +2*alpha*h_to_c_3_4
76886  h_to_c_5_5 = +2*alpha*h_to_c_4_4
76887 
76888  exp_drsq = exp(-alpha*dr*dr)
76889  exp_2drsq = exp_drsq*exp_drsq
76890 
76891  rr1_delta = (ra - rb)/dr
76892 
76893  rr1_l = ceiling(-r_c(1) + rr1_delta)
76894  rr1_r = floor(r_c(1) + rr1_delta)
76895 
76896  r1 = rr1_l*dr
76897 
76898  alpha_e = zeta*zetb/(zeta + zetb)
76899 
76900  DO rr1 = rr1_l, rr1_r
76901  s_r_t_0 = 0.0_dp
76902  s_r_t2_0 = 0.0_dp
76903  s_r_t_1 = 0.0_dp
76904  s_r_t2_1 = 0.0_dp
76905  s_r_t_2 = 0.0_dp
76906  s_r_t2_2 = 0.0_dp
76907  s_r_t_3 = 0.0_dp
76908  s_r_t2_3 = 0.0_dp
76909  s_r_t_4 = 0.0_dp
76910  s_r_t2_4 = 0.0_dp
76911  s_r_t_5 = 0.0_dp
76912  s_r_t2_5 = 0.0_dp
76913  r_tmp = r_offset + r1*zeta/(zeta + zetb)
76914  rr2_delta = -r_tmp/dr
76915 
76916  rr2_l = ceiling(-r_c(2) + rr2_delta)
76917  rr2_r = floor(r_c(2) + rr2_delta)
76918 
76919  r = r_tmp + (rr2_l)*dr
76920 
76921  exp2_2rdr = exp(-2*alpha*r*dr)
76922  exp2_rsq = exp(-alpha*r*r)
76923 
76924  DO rr2 = rr2_l, rr2_r
76925  r_pow_t = 1.0_dp
76926  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
76927  r_pow_t = r_pow_t*r
76928  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
76929  r_pow_t = r_pow_t*r
76930  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
76931  r_pow_t = r_pow_t*r
76932  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
76933  r_pow_t = r_pow_t*r
76934  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
76935  r_pow_t = r_pow_t*r
76936  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
76937 
76938  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
76939  exp2_2rdr = exp2_2rdr*exp_2drsq
76940  r = r + dr
76941  END DO
76942 
76943  ! C --> H
76944  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
76945  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
76946  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
76947  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
76948  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
76949  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
76950  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
76951  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
76952  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
76953  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
76954  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
76955  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
76956  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
76957  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
76958  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
76959  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
76960  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
76961  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
76962  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
76963  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
76964  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
76965 
76966  ! H --> HH
76967  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
76968 
76969  c1 = 1.0_dp/(zeta + zetb)
76970  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
76971  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
76972 
76973  e_0_1_0 = zeta*( &
76974  +c2*e_0_0_0&
76975 
76976  )
76977  e_0_0_1 = zetb*( &
76978  +c3*e_0_0_0&
76979 
76980  )
76981  e_1_1_0 = zeta*( c1*e_0_0_0 &
76982 
76983 
76984  )
76985  e_1_0_1 = zetb*( c1*e_0_0_0 &
76986 
76987 
76988  )
76989  e_0_2_0 = zeta*( &
76990  +c2*e_0_1_0&
76991  +2*e_1_1_0 &
76992  -2*e_0_0_0)
76993  e_0_1_1 = zetb*( &
76994  +c3*e_0_1_0&
76995  +2*e_1_1_0 &
76996  )
76997  e_1_2_0 = zeta*( c1*e_0_1_0 &
76998  +c2*e_1_1_0&
76999 
77000  )
77001  e_1_1_1 = zetb*( c1*e_0_1_0 &
77002  +c3*e_1_1_0&
77003 
77004  )
77005  e_2_2_0 = zeta*( c1*e_1_1_0 &
77006 
77007 
77008  )
77009  e_2_1_1 = zetb*( c1*e_1_1_0 &
77010 
77011 
77012  )
77013  e_0_2_1 = zetb*( &
77014  +c3*e_0_2_0&
77015  +2*e_1_2_0 &
77016  )
77017  e_1_2_1 = zetb*( c1*e_0_2_0 &
77018  +c3*e_1_2_0&
77019  +4*e_2_2_0 &
77020  )
77021  e_2_2_1 = zetb*( c1*e_1_2_0 &
77022  +c3*e_2_2_0&
77023 
77024  )
77025  e_3_2_1 = zetb*( c1*e_2_2_0 &
77026 
77027 
77028  )
77029  e_0_1_1 = zeta*( &
77030  +c2*e_0_0_1&
77031  +2*e_1_0_1 &
77032  )
77033  e_0_0_2 = zetb*( &
77034  +c3*e_0_0_1&
77035  +2*e_1_0_1 &
77036  -2*e_0_0_0)
77037  e_1_1_1 = zeta*( c1*e_0_0_1 &
77038  +c2*e_1_0_1&
77039 
77040  )
77041  e_1_0_2 = zetb*( c1*e_0_0_1 &
77042  +c3*e_1_0_1&
77043 
77044  )
77045  e_2_1_1 = zeta*( c1*e_1_0_1 &
77046 
77047 
77048  )
77049  e_2_0_2 = zetb*( c1*e_1_0_1 &
77050 
77051 
77052  )
77053  e_0_2_1 = zeta*( &
77054  +c2*e_0_1_1&
77055  +2*e_1_1_1 &
77056  -2*e_0_0_1)
77057  e_0_1_2 = zetb*( &
77058  +c3*e_0_1_1&
77059  +2*e_1_1_1 &
77060  -2*e_0_1_0)
77061  e_1_2_1 = zeta*( c1*e_0_1_1 &
77062  +c2*e_1_1_1&
77063  +4*e_2_1_1 &
77064  -2*e_1_0_1)
77065  e_1_1_2 = zetb*( c1*e_0_1_1 &
77066  +c3*e_1_1_1&
77067  +4*e_2_1_1 &
77068  -2*e_1_1_0)
77069  e_2_2_1 = zeta*( c1*e_1_1_1 &
77070  +c2*e_2_1_1&
77071 
77072  )
77073  e_2_1_2 = zetb*( c1*e_1_1_1 &
77074  +c3*e_2_1_1&
77075 
77076  )
77077  e_3_2_1 = zeta*( c1*e_2_1_1 &
77078 
77079 
77080  )
77081  e_3_1_2 = zetb*( c1*e_2_1_1 &
77082 
77083 
77084  )
77085  e_0_2_2 = zetb*( &
77086  +c3*e_0_2_1&
77087  +2*e_1_2_1 &
77088  -2*e_0_2_0)
77089  e_1_2_2 = zetb*( c1*e_0_2_1 &
77090  +c3*e_1_2_1&
77091  +4*e_2_2_1 &
77092  -2*e_1_2_0)
77093  e_2_2_2 = zetb*( c1*e_1_2_1 &
77094  +c3*e_2_2_1&
77095  +6*e_3_2_1 &
77096  -2*e_2_2_0)
77097  e_3_2_2 = zetb*( c1*e_2_2_1 &
77098  +c3*e_3_2_1&
77099 
77100  )
77101  e_4_2_2 = zetb*( c1*e_3_2_1 &
77102 
77103 
77104  )
77105  e_0_1_2 = zeta*( &
77106  +c2*e_0_0_2&
77107  +2*e_1_0_2 &
77108  )
77109  e_0_0_3 = zetb*( &
77110  +c3*e_0_0_2&
77111  +2*e_1_0_2 &
77112  -4*e_0_0_1)
77113  e_1_1_2 = zeta*( c1*e_0_0_2 &
77114  +c2*e_1_0_2&
77115  +4*e_2_0_2 &
77116  )
77117  e_1_0_3 = zetb*( c1*e_0_0_2 &
77118  +c3*e_1_0_2&
77119  +4*e_2_0_2 &
77120  -4*e_1_0_1)
77121  e_2_1_2 = zeta*( c1*e_1_0_2 &
77122  +c2*e_2_0_2&
77123 
77124  )
77125  e_2_0_3 = zetb*( c1*e_1_0_2 &
77126  +c3*e_2_0_2&
77127 
77128  )
77129  e_3_1_2 = zeta*( c1*e_2_0_2 &
77130 
77131 
77132  )
77133  e_3_0_3 = zetb*( c1*e_2_0_2 &
77134 
77135 
77136  )
77137  e_0_2_2 = zeta*( &
77138  +c2*e_0_1_2&
77139  +2*e_1_1_2 &
77140  -2*e_0_0_2)
77141  e_0_1_3 = zetb*( &
77142  +c3*e_0_1_2&
77143  +2*e_1_1_2 &
77144  -4*e_0_1_1)
77145  e_1_2_2 = zeta*( c1*e_0_1_2 &
77146  +c2*e_1_1_2&
77147  +4*e_2_1_2 &
77148  -2*e_1_0_2)
77149  e_1_1_3 = zetb*( c1*e_0_1_2 &
77150  +c3*e_1_1_2&
77151  +4*e_2_1_2 &
77152  -4*e_1_1_1)
77153  e_2_2_2 = zeta*( c1*e_1_1_2 &
77154  +c2*e_2_1_2&
77155  +6*e_3_1_2 &
77156  -2*e_2_0_2)
77157  e_2_1_3 = zetb*( c1*e_1_1_2 &
77158  +c3*e_2_1_2&
77159  +6*e_3_1_2 &
77160  -4*e_2_1_1)
77161  e_3_2_2 = zeta*( c1*e_2_1_2 &
77162  +c2*e_3_1_2&
77163 
77164  )
77165  e_3_1_3 = zetb*( c1*e_2_1_2 &
77166  +c3*e_3_1_2&
77167 
77168  )
77169  e_4_2_2 = zeta*( c1*e_3_1_2 &
77170 
77171 
77172  )
77173  e_4_1_3 = zetb*( c1*e_3_1_2 &
77174 
77175 
77176  )
77177  e_0_2_3 = zetb*( &
77178  +c3*e_0_2_2&
77179  +2*e_1_2_2 &
77180  -4*e_0_2_1)
77181  e_1_2_3 = zetb*( c1*e_0_2_2 &
77182  +c3*e_1_2_2&
77183  +4*e_2_2_2 &
77184  -4*e_1_2_1)
77185  e_2_2_3 = zetb*( c1*e_1_2_2 &
77186  +c3*e_2_2_2&
77187  +6*e_3_2_2 &
77188  -4*e_2_2_1)
77189  e_3_2_3 = zetb*( c1*e_2_2_2 &
77190  +c3*e_3_2_2&
77191  +8*e_4_2_2 &
77192  -4*e_3_2_1)
77193  e_4_2_3 = zetb*( c1*e_3_2_2 &
77194  +c3*e_4_2_2&
77195 
77196  )
77197  e_5_2_3 = zetb*( c1*e_4_2_2 &
77198 
77199 
77200  )
77201  e_0_1_3 = zeta*( &
77202  +c2*e_0_0_3&
77203  +2*e_1_0_3 &
77204  )
77205  e_1_1_3 = zeta*( c1*e_0_0_3 &
77206  +c2*e_1_0_3&
77207  +4*e_2_0_3 &
77208  )
77209  e_2_1_3 = zeta*( c1*e_1_0_3 &
77210  +c2*e_2_0_3&
77211  +6*e_3_0_3 &
77212  )
77213  e_3_1_3 = zeta*( c1*e_2_0_3 &
77214  +c2*e_3_0_3&
77215 
77216  )
77217  e_4_1_3 = zeta*( c1*e_3_0_3 &
77218 
77219 
77220  )
77221  e_0_2_3 = zeta*( &
77222  +c2*e_0_1_3&
77223  +2*e_1_1_3 &
77224  -2*e_0_0_3)
77225  e_1_2_3 = zeta*( c1*e_0_1_3 &
77226  +c2*e_1_1_3&
77227  +4*e_2_1_3 &
77228  -2*e_1_0_3)
77229  e_2_2_3 = zeta*( c1*e_1_1_3 &
77230  +c2*e_2_1_3&
77231  +6*e_3_1_3 &
77232  -2*e_2_0_3)
77233  e_3_2_3 = zeta*( c1*e_2_1_3 &
77234  +c2*e_3_1_3&
77235  +8*e_4_1_3 &
77236  -2*e_3_0_3)
77237  e_4_2_3 = zeta*( c1*e_3_1_3 &
77238  +c2*e_4_1_3&
77239 
77240  )
77241  e_5_2_3 = zeta*( c1*e_4_1_3 &
77242 
77243 
77244  )
77245 
77246  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
77247  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
77248  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
77249  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
77250  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
77251  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
77252  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
77253  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
77254  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
77255  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
77256  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
77257  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
77258  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
77259  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
77260  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
77261  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
77262  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
77263  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
77264  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
77265  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
77266  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
77267  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
77268  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
77269  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
77270  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
77271  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
77272  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
77273  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
77274  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
77275  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
77276  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
77277  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
77278  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
77279  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
77280  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
77281  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
77282  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
77283  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
77284  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
77285  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
77286  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
77287  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
77288  r1 = r1 + dr
77289  END DO
77290 
77291  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
77292  END SUBROUTINE
77293  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_3_1_exp_1 ( &
77294  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
77295  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
77296  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
77297  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
77298  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
77299  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
77300  r_pow_t, r_tmp, rr1_delta, rr2_delta
77301 
77302  REAL(kind=dp) :: c1, c2, c3
77303  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
77304  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
77305  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
77306  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
77307  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
77308  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
77309  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
77310  & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
77311  & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3
77312 
77313  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
77314 
77315  dr = lgth
77316  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
77317 
77318  s_r(:, :, :) = 0.0_dp
77319 
77320  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
77321 
77322  h_to_c_0_0 = sqrt(alpha/pi)
77323 
77324  h_to_c_0_1 = 0.0_dp
77325  h_to_c_1_1 = +2*alpha*h_to_c_0_0
77326  h_to_c_0_2 = -1*h_to_c_1_1
77327  h_to_c_1_2 = +2*alpha*h_to_c_0_1
77328  h_to_c_2_2 = +2*alpha*h_to_c_1_1
77329  h_to_c_0_3 = -1*h_to_c_1_2
77330  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
77331  h_to_c_2_3 = +2*alpha*h_to_c_1_2
77332  h_to_c_3_3 = +2*alpha*h_to_c_2_2
77333  h_to_c_0_4 = -1*h_to_c_1_3
77334  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
77335  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
77336  h_to_c_3_4 = +2*alpha*h_to_c_2_3
77337  h_to_c_4_4 = +2*alpha*h_to_c_3_3
77338  h_to_c_0_5 = -1*h_to_c_1_4
77339  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
77340  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
77341  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
77342  h_to_c_4_5 = +2*alpha*h_to_c_3_4
77343  h_to_c_5_5 = +2*alpha*h_to_c_4_4
77344  h_to_c_0_6 = -1*h_to_c_1_5
77345  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
77346  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
77347  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
77348  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
77349  h_to_c_5_6 = +2*alpha*h_to_c_4_5
77350  h_to_c_6_6 = +2*alpha*h_to_c_5_5
77351 
77352  exp_drsq = exp(-alpha*dr*dr)
77353  exp_2drsq = exp_drsq*exp_drsq
77354 
77355  rr1_delta = (ra - rb)/dr
77356 
77357  rr1_l = ceiling(-r_c(1) + rr1_delta)
77358  rr1_r = floor(r_c(1) + rr1_delta)
77359 
77360  r1 = rr1_l*dr
77361 
77362  alpha_e = zeta*zetb/(zeta + zetb)
77363 
77364  DO rr1 = rr1_l, rr1_r
77365  s_r_t_0 = 0.0_dp
77366  s_r_t2_0 = 0.0_dp
77367  s_r_t_1 = 0.0_dp
77368  s_r_t2_1 = 0.0_dp
77369  s_r_t_2 = 0.0_dp
77370  s_r_t2_2 = 0.0_dp
77371  s_r_t_3 = 0.0_dp
77372  s_r_t2_3 = 0.0_dp
77373  s_r_t_4 = 0.0_dp
77374  s_r_t2_4 = 0.0_dp
77375  s_r_t_5 = 0.0_dp
77376  s_r_t2_5 = 0.0_dp
77377  s_r_t_6 = 0.0_dp
77378  s_r_t2_6 = 0.0_dp
77379  r_tmp = r_offset + r1*zeta/(zeta + zetb)
77380  rr2_delta = -r_tmp/dr
77381 
77382  rr2_l = ceiling(-r_c(2) + rr2_delta)
77383  rr2_r = floor(r_c(2) + rr2_delta)
77384 
77385  r = r_tmp + (rr2_l)*dr
77386 
77387  exp2_2rdr = exp(-2*alpha*r*dr)
77388  exp2_rsq = exp(-alpha*r*r)
77389 
77390  DO rr2 = rr2_l, rr2_r
77391  r_pow_t = 1.0_dp
77392  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
77393  r_pow_t = r_pow_t*r
77394  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
77395  r_pow_t = r_pow_t*r
77396  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
77397  r_pow_t = r_pow_t*r
77398  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
77399  r_pow_t = r_pow_t*r
77400  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
77401  r_pow_t = r_pow_t*r
77402  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
77403  r_pow_t = r_pow_t*r
77404  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
77405 
77406  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
77407  exp2_2rdr = exp2_2rdr*exp_2drsq
77408  r = r + dr
77409  END DO
77410 
77411  ! C --> H
77412  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
77413  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
77414  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
77415  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
77416  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
77417  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
77418  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
77419  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
77420  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
77421  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
77422  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
77423  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
77424  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
77425  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
77426  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
77427  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
77428  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
77429  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
77430  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
77431  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
77432  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
77433  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
77434  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
77435  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
77436  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
77437  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
77438  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
77439  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
77440 
77441  ! H --> HH
77442  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
77443 
77444  c1 = 1.0_dp/(zeta + zetb)
77445  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
77446  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
77447 
77448  e_0_1_0 = zeta*( &
77449  +c2*e_0_0_0&
77450 
77451  )
77452  e_0_0_1 = zetb*( &
77453  +c3*e_0_0_0&
77454 
77455  )
77456  e_1_1_0 = zeta*( c1*e_0_0_0 &
77457 
77458 
77459  )
77460  e_1_0_1 = zetb*( c1*e_0_0_0 &
77461 
77462 
77463  )
77464  e_0_2_0 = zeta*( &
77465  +c2*e_0_1_0&
77466  +2*e_1_1_0 &
77467  -2*e_0_0_0)
77468  e_0_1_1 = zetb*( &
77469  +c3*e_0_1_0&
77470  +2*e_1_1_0 &
77471  )
77472  e_1_2_0 = zeta*( c1*e_0_1_0 &
77473  +c2*e_1_1_0&
77474 
77475  )
77476  e_1_1_1 = zetb*( c1*e_0_1_0 &
77477  +c3*e_1_1_0&
77478 
77479  )
77480  e_2_2_0 = zeta*( c1*e_1_1_0 &
77481 
77482 
77483  )
77484  e_2_1_1 = zetb*( c1*e_1_1_0 &
77485 
77486 
77487  )
77488  e_0_2_1 = zetb*( &
77489  +c3*e_0_2_0&
77490  +2*e_1_2_0 &
77491  )
77492  e_1_2_1 = zetb*( c1*e_0_2_0 &
77493  +c3*e_1_2_0&
77494  +4*e_2_2_0 &
77495  )
77496  e_2_2_1 = zetb*( c1*e_1_2_0 &
77497  +c3*e_2_2_0&
77498 
77499  )
77500  e_3_2_1 = zetb*( c1*e_2_2_0 &
77501 
77502 
77503  )
77504  e_0_1_1 = zeta*( &
77505  +c2*e_0_0_1&
77506  +2*e_1_0_1 &
77507  )
77508  e_0_0_2 = zetb*( &
77509  +c3*e_0_0_1&
77510  +2*e_1_0_1 &
77511  -2*e_0_0_0)
77512  e_1_1_1 = zeta*( c1*e_0_0_1 &
77513  +c2*e_1_0_1&
77514 
77515  )
77516  e_1_0_2 = zetb*( c1*e_0_0_1 &
77517  +c3*e_1_0_1&
77518 
77519  )
77520  e_2_1_1 = zeta*( c1*e_1_0_1 &
77521 
77522 
77523  )
77524  e_2_0_2 = zetb*( c1*e_1_0_1 &
77525 
77526 
77527  )
77528  e_0_2_1 = zeta*( &
77529  +c2*e_0_1_1&
77530  +2*e_1_1_1 &
77531  -2*e_0_0_1)
77532  e_0_1_2 = zetb*( &
77533  +c3*e_0_1_1&
77534  +2*e_1_1_1 &
77535  -2*e_0_1_0)
77536  e_1_2_1 = zeta*( c1*e_0_1_1 &
77537  +c2*e_1_1_1&
77538  +4*e_2_1_1 &
77539  -2*e_1_0_1)
77540  e_1_1_2 = zetb*( c1*e_0_1_1 &
77541  +c3*e_1_1_1&
77542  +4*e_2_1_1 &
77543  -2*e_1_1_0)
77544  e_2_2_1 = zeta*( c1*e_1_1_1 &
77545  +c2*e_2_1_1&
77546 
77547  )
77548  e_2_1_2 = zetb*( c1*e_1_1_1 &
77549  +c3*e_2_1_1&
77550 
77551  )
77552  e_3_2_1 = zeta*( c1*e_2_1_1 &
77553 
77554 
77555  )
77556  e_3_1_2 = zetb*( c1*e_2_1_1 &
77557 
77558 
77559  )
77560  e_0_2_2 = zetb*( &
77561  +c3*e_0_2_1&
77562  +2*e_1_2_1 &
77563  -2*e_0_2_0)
77564  e_1_2_2 = zetb*( c1*e_0_2_1 &
77565  +c3*e_1_2_1&
77566  +4*e_2_2_1 &
77567  -2*e_1_2_0)
77568  e_2_2_2 = zetb*( c1*e_1_2_1 &
77569  +c3*e_2_2_1&
77570  +6*e_3_2_1 &
77571  -2*e_2_2_0)
77572  e_3_2_2 = zetb*( c1*e_2_2_1 &
77573  +c3*e_3_2_1&
77574 
77575  )
77576  e_4_2_2 = zetb*( c1*e_3_2_1 &
77577 
77578 
77579  )
77580  e_0_1_2 = zeta*( &
77581  +c2*e_0_0_2&
77582  +2*e_1_0_2 &
77583  )
77584  e_0_0_3 = zetb*( &
77585  +c3*e_0_0_2&
77586  +2*e_1_0_2 &
77587  -4*e_0_0_1)
77588  e_1_1_2 = zeta*( c1*e_0_0_2 &
77589  +c2*e_1_0_2&
77590  +4*e_2_0_2 &
77591  )
77592  e_1_0_3 = zetb*( c1*e_0_0_2 &
77593  +c3*e_1_0_2&
77594  +4*e_2_0_2 &
77595  -4*e_1_0_1)
77596  e_2_1_2 = zeta*( c1*e_1_0_2 &
77597  +c2*e_2_0_2&
77598 
77599  )
77600  e_2_0_3 = zetb*( c1*e_1_0_2 &
77601  +c3*e_2_0_2&
77602 
77603  )
77604  e_3_1_2 = zeta*( c1*e_2_0_2 &
77605 
77606 
77607  )
77608  e_3_0_3 = zetb*( c1*e_2_0_2 &
77609 
77610 
77611  )
77612  e_0_2_2 = zeta*( &
77613  +c2*e_0_1_2&
77614  +2*e_1_1_2 &
77615  -2*e_0_0_2)
77616  e_0_1_3 = zetb*( &
77617  +c3*e_0_1_2&
77618  +2*e_1_1_2 &
77619  -4*e_0_1_1)
77620  e_1_2_2 = zeta*( c1*e_0_1_2 &
77621  +c2*e_1_1_2&
77622  +4*e_2_1_2 &
77623  -2*e_1_0_2)
77624  e_1_1_3 = zetb*( c1*e_0_1_2 &
77625  +c3*e_1_1_2&
77626  +4*e_2_1_2 &
77627  -4*e_1_1_1)
77628  e_2_2_2 = zeta*( c1*e_1_1_2 &
77629  +c2*e_2_1_2&
77630  +6*e_3_1_2 &
77631  -2*e_2_0_2)
77632  e_2_1_3 = zetb*( c1*e_1_1_2 &
77633  +c3*e_2_1_2&
77634  +6*e_3_1_2 &
77635  -4*e_2_1_1)
77636  e_3_2_2 = zeta*( c1*e_2_1_2 &
77637  +c2*e_3_1_2&
77638 
77639  )
77640  e_3_1_3 = zetb*( c1*e_2_1_2 &
77641  +c3*e_3_1_2&
77642 
77643  )
77644  e_4_2_2 = zeta*( c1*e_3_1_2 &
77645 
77646 
77647  )
77648  e_4_1_3 = zetb*( c1*e_3_1_2 &
77649 
77650 
77651  )
77652  e_0_2_3 = zetb*( &
77653  +c3*e_0_2_2&
77654  +2*e_1_2_2 &
77655  -4*e_0_2_1)
77656  e_1_2_3 = zetb*( c1*e_0_2_2 &
77657  +c3*e_1_2_2&
77658  +4*e_2_2_2 &
77659  -4*e_1_2_1)
77660  e_2_2_3 = zetb*( c1*e_1_2_2 &
77661  +c3*e_2_2_2&
77662  +6*e_3_2_2 &
77663  -4*e_2_2_1)
77664  e_3_2_3 = zetb*( c1*e_2_2_2 &
77665  +c3*e_3_2_2&
77666  +8*e_4_2_2 &
77667  -4*e_3_2_1)
77668  e_4_2_3 = zetb*( c1*e_3_2_2 &
77669  +c3*e_4_2_2&
77670 
77671  )
77672  e_5_2_3 = zetb*( c1*e_4_2_2 &
77673 
77674 
77675  )
77676  e_0_1_3 = zeta*( &
77677  +c2*e_0_0_3&
77678  +2*e_1_0_3 &
77679  )
77680  e_1_1_3 = zeta*( c1*e_0_0_3 &
77681  +c2*e_1_0_3&
77682  +4*e_2_0_3 &
77683  )
77684  e_2_1_3 = zeta*( c1*e_1_0_3 &
77685  +c2*e_2_0_3&
77686  +6*e_3_0_3 &
77687  )
77688  e_3_1_3 = zeta*( c1*e_2_0_3 &
77689  +c2*e_3_0_3&
77690 
77691  )
77692  e_4_1_3 = zeta*( c1*e_3_0_3 &
77693 
77694 
77695  )
77696  e_0_2_3 = zeta*( &
77697  +c2*e_0_1_3&
77698  +2*e_1_1_3 &
77699  -2*e_0_0_3)
77700  e_1_2_3 = zeta*( c1*e_0_1_3 &
77701  +c2*e_1_1_3&
77702  +4*e_2_1_3 &
77703  -2*e_1_0_3)
77704  e_2_2_3 = zeta*( c1*e_1_1_3 &
77705  +c2*e_2_1_3&
77706  +6*e_3_1_3 &
77707  -2*e_2_0_3)
77708  e_3_2_3 = zeta*( c1*e_2_1_3 &
77709  +c2*e_3_1_3&
77710  +8*e_4_1_3 &
77711  -2*e_3_0_3)
77712  e_4_2_3 = zeta*( c1*e_3_1_3 &
77713  +c2*e_4_1_3&
77714 
77715  )
77716  e_5_2_3 = zeta*( c1*e_4_1_3 &
77717 
77718 
77719  )
77720 
77721  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
77722  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
77723  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
77724  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
77725  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
77726  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
77727  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
77728  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
77729  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
77730  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
77731  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
77732  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
77733  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
77734  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
77735  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
77736  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
77737  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
77738  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
77739  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
77740  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
77741  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
77742  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
77743  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
77744  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
77745  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
77746  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
77747  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
77748  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
77749  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
77750  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
77751  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
77752  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
77753  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
77754  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
77755  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
77756  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
77757  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
77758  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
77759  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
77760  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
77761  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
77762  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
77763  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
77764  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
77765  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
77766  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
77767  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
77768  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
77769  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
77770  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
77771  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
77772  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
77773  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
77774  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
77775  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
77776  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
77777  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
77778  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
77779  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
77780  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
77781  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
77782  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
77783  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
77784  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
77785  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
77786  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
77787  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
77788  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
77789  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
77790  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
77791  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
77792  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
77793  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
77794  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
77795  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
77796  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
77797  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
77798  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
77799  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
77800  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
77801  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
77802  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
77803  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
77804  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
77805  r1 = r1 + dr
77806  END DO
77807 
77808  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
77809  END SUBROUTINE
77810  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_3_2_exp_1 ( &
77811  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
77812  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
77813  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
77814  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
77815  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
77816  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
77817  r_pow_t, r_tmp, rr1_delta, rr2_delta
77818 
77819  REAL(kind=dp) :: c1, c2, c3
77820  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
77821  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
77822  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
77823  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
77824  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
77825  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
77826  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
77827  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
77828  & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
77829  & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3
77830 
77831  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
77832 
77833  dr = lgth
77834  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
77835 
77836  s_r(:, :, :) = 0.0_dp
77837 
77838  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
77839 
77840  h_to_c_0_0 = sqrt(alpha/pi)
77841 
77842  h_to_c_0_1 = 0.0_dp
77843  h_to_c_1_1 = +2*alpha*h_to_c_0_0
77844  h_to_c_0_2 = -1*h_to_c_1_1
77845  h_to_c_1_2 = +2*alpha*h_to_c_0_1
77846  h_to_c_2_2 = +2*alpha*h_to_c_1_1
77847  h_to_c_0_3 = -1*h_to_c_1_2
77848  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
77849  h_to_c_2_3 = +2*alpha*h_to_c_1_2
77850  h_to_c_3_3 = +2*alpha*h_to_c_2_2
77851  h_to_c_0_4 = -1*h_to_c_1_3
77852  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
77853  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
77854  h_to_c_3_4 = +2*alpha*h_to_c_2_3
77855  h_to_c_4_4 = +2*alpha*h_to_c_3_3
77856  h_to_c_0_5 = -1*h_to_c_1_4
77857  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
77858  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
77859  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
77860  h_to_c_4_5 = +2*alpha*h_to_c_3_4
77861  h_to_c_5_5 = +2*alpha*h_to_c_4_4
77862  h_to_c_0_6 = -1*h_to_c_1_5
77863  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
77864  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
77865  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
77866  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
77867  h_to_c_5_6 = +2*alpha*h_to_c_4_5
77868  h_to_c_6_6 = +2*alpha*h_to_c_5_5
77869  h_to_c_0_7 = -1*h_to_c_1_6
77870  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
77871  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
77872  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
77873  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
77874  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
77875  h_to_c_6_7 = +2*alpha*h_to_c_5_6
77876  h_to_c_7_7 = +2*alpha*h_to_c_6_6
77877 
77878  exp_drsq = exp(-alpha*dr*dr)
77879  exp_2drsq = exp_drsq*exp_drsq
77880 
77881  rr1_delta = (ra - rb)/dr
77882 
77883  rr1_l = ceiling(-r_c(1) + rr1_delta)
77884  rr1_r = floor(r_c(1) + rr1_delta)
77885 
77886  r1 = rr1_l*dr
77887 
77888  alpha_e = zeta*zetb/(zeta + zetb)
77889 
77890  DO rr1 = rr1_l, rr1_r
77891  s_r_t_0 = 0.0_dp
77892  s_r_t2_0 = 0.0_dp
77893  s_r_t_1 = 0.0_dp
77894  s_r_t2_1 = 0.0_dp
77895  s_r_t_2 = 0.0_dp
77896  s_r_t2_2 = 0.0_dp
77897  s_r_t_3 = 0.0_dp
77898  s_r_t2_3 = 0.0_dp
77899  s_r_t_4 = 0.0_dp
77900  s_r_t2_4 = 0.0_dp
77901  s_r_t_5 = 0.0_dp
77902  s_r_t2_5 = 0.0_dp
77903  s_r_t_6 = 0.0_dp
77904  s_r_t2_6 = 0.0_dp
77905  s_r_t_7 = 0.0_dp
77906  s_r_t2_7 = 0.0_dp
77907  r_tmp = r_offset + r1*zeta/(zeta + zetb)
77908  rr2_delta = -r_tmp/dr
77909 
77910  rr2_l = ceiling(-r_c(2) + rr2_delta)
77911  rr2_r = floor(r_c(2) + rr2_delta)
77912 
77913  r = r_tmp + (rr2_l)*dr
77914 
77915  exp2_2rdr = exp(-2*alpha*r*dr)
77916  exp2_rsq = exp(-alpha*r*r)
77917 
77918  DO rr2 = rr2_l, rr2_r
77919  r_pow_t = 1.0_dp
77920  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
77921  r_pow_t = r_pow_t*r
77922  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
77923  r_pow_t = r_pow_t*r
77924  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
77925  r_pow_t = r_pow_t*r
77926  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
77927  r_pow_t = r_pow_t*r
77928  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
77929  r_pow_t = r_pow_t*r
77930  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
77931  r_pow_t = r_pow_t*r
77932  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
77933  r_pow_t = r_pow_t*r
77934  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
77935 
77936  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
77937  exp2_2rdr = exp2_2rdr*exp_2drsq
77938  r = r + dr
77939  END DO
77940 
77941  ! C --> H
77942  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
77943  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
77944  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
77945  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
77946  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
77947  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
77948  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
77949  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
77950  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
77951  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
77952  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
77953  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
77954  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
77955  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
77956  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
77957  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
77958  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
77959  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
77960  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
77961  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
77962  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
77963  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
77964  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
77965  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
77966  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
77967  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
77968  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
77969  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
77970  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
77971  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
77972  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
77973  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
77974  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
77975  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
77976  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
77977  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
77978 
77979  ! H --> HH
77980  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
77981 
77982  c1 = 1.0_dp/(zeta + zetb)
77983  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
77984  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
77985 
77986  e_0_1_0 = zeta*( &
77987  +c2*e_0_0_0&
77988 
77989  )
77990  e_0_0_1 = zetb*( &
77991  +c3*e_0_0_0&
77992 
77993  )
77994  e_1_1_0 = zeta*( c1*e_0_0_0 &
77995 
77996 
77997  )
77998  e_1_0_1 = zetb*( c1*e_0_0_0 &
77999 
78000 
78001  )
78002  e_0_2_0 = zeta*( &
78003  +c2*e_0_1_0&
78004  +2*e_1_1_0 &
78005  -2*e_0_0_0)
78006  e_0_1_1 = zetb*( &
78007  +c3*e_0_1_0&
78008  +2*e_1_1_0 &
78009  )
78010  e_1_2_0 = zeta*( c1*e_0_1_0 &
78011  +c2*e_1_1_0&
78012 
78013  )
78014  e_1_1_1 = zetb*( c1*e_0_1_0 &
78015  +c3*e_1_1_0&
78016 
78017  )
78018  e_2_2_0 = zeta*( c1*e_1_1_0 &
78019 
78020 
78021  )
78022  e_2_1_1 = zetb*( c1*e_1_1_0 &
78023 
78024 
78025  )
78026  e_0_2_1 = zetb*( &
78027  +c3*e_0_2_0&
78028  +2*e_1_2_0 &
78029  )
78030  e_1_2_1 = zetb*( c1*e_0_2_0 &
78031  +c3*e_1_2_0&
78032  +4*e_2_2_0 &
78033  )
78034  e_2_2_1 = zetb*( c1*e_1_2_0 &
78035  +c3*e_2_2_0&
78036 
78037  )
78038  e_3_2_1 = zetb*( c1*e_2_2_0 &
78039 
78040 
78041  )
78042  e_0_1_1 = zeta*( &
78043  +c2*e_0_0_1&
78044  +2*e_1_0_1 &
78045  )
78046  e_0_0_2 = zetb*( &
78047  +c3*e_0_0_1&
78048  +2*e_1_0_1 &
78049  -2*e_0_0_0)
78050  e_1_1_1 = zeta*( c1*e_0_0_1 &
78051  +c2*e_1_0_1&
78052 
78053  )
78054  e_1_0_2 = zetb*( c1*e_0_0_1 &
78055  +c3*e_1_0_1&
78056 
78057  )
78058  e_2_1_1 = zeta*( c1*e_1_0_1 &
78059 
78060 
78061  )
78062  e_2_0_2 = zetb*( c1*e_1_0_1 &
78063 
78064 
78065  )
78066  e_0_2_1 = zeta*( &
78067  +c2*e_0_1_1&
78068  +2*e_1_1_1 &
78069  -2*e_0_0_1)
78070  e_0_1_2 = zetb*( &
78071  +c3*e_0_1_1&
78072  +2*e_1_1_1 &
78073  -2*e_0_1_0)
78074  e_1_2_1 = zeta*( c1*e_0_1_1 &
78075  +c2*e_1_1_1&
78076  +4*e_2_1_1 &
78077  -2*e_1_0_1)
78078  e_1_1_2 = zetb*( c1*e_0_1_1 &
78079  +c3*e_1_1_1&
78080  +4*e_2_1_1 &
78081  -2*e_1_1_0)
78082  e_2_2_1 = zeta*( c1*e_1_1_1 &
78083  +c2*e_2_1_1&
78084 
78085  )
78086  e_2_1_2 = zetb*( c1*e_1_1_1 &
78087  +c3*e_2_1_1&
78088 
78089  )
78090  e_3_2_1 = zeta*( c1*e_2_1_1 &
78091 
78092 
78093  )
78094  e_3_1_2 = zetb*( c1*e_2_1_1 &
78095 
78096 
78097  )
78098  e_0_2_2 = zetb*( &
78099  +c3*e_0_2_1&
78100  +2*e_1_2_1 &
78101  -2*e_0_2_0)
78102  e_1_2_2 = zetb*( c1*e_0_2_1 &
78103  +c3*e_1_2_1&
78104  +4*e_2_2_1 &
78105  -2*e_1_2_0)
78106  e_2_2_2 = zetb*( c1*e_1_2_1 &
78107  +c3*e_2_2_1&
78108  +6*e_3_2_1 &
78109  -2*e_2_2_0)
78110  e_3_2_2 = zetb*( c1*e_2_2_1 &
78111  +c3*e_3_2_1&
78112 
78113  )
78114  e_4_2_2 = zetb*( c1*e_3_2_1 &
78115 
78116 
78117  )
78118  e_0_1_2 = zeta*( &
78119  +c2*e_0_0_2&
78120  +2*e_1_0_2 &
78121  )
78122  e_0_0_3 = zetb*( &
78123  +c3*e_0_0_2&
78124  +2*e_1_0_2 &
78125  -4*e_0_0_1)
78126  e_1_1_2 = zeta*( c1*e_0_0_2 &
78127  +c2*e_1_0_2&
78128  +4*e_2_0_2 &
78129  )
78130  e_1_0_3 = zetb*( c1*e_0_0_2 &
78131  +c3*e_1_0_2&
78132  +4*e_2_0_2 &
78133  -4*e_1_0_1)
78134  e_2_1_2 = zeta*( c1*e_1_0_2 &
78135  +c2*e_2_0_2&
78136 
78137  )
78138  e_2_0_3 = zetb*( c1*e_1_0_2 &
78139  +c3*e_2_0_2&
78140 
78141  )
78142  e_3_1_2 = zeta*( c1*e_2_0_2 &
78143 
78144 
78145  )
78146  e_3_0_3 = zetb*( c1*e_2_0_2 &
78147 
78148 
78149  )
78150  e_0_2_2 = zeta*( &
78151  +c2*e_0_1_2&
78152  +2*e_1_1_2 &
78153  -2*e_0_0_2)
78154  e_0_1_3 = zetb*( &
78155  +c3*e_0_1_2&
78156  +2*e_1_1_2 &
78157  -4*e_0_1_1)
78158  e_1_2_2 = zeta*( c1*e_0_1_2 &
78159  +c2*e_1_1_2&
78160  +4*e_2_1_2 &
78161  -2*e_1_0_2)
78162  e_1_1_3 = zetb*( c1*e_0_1_2 &
78163  +c3*e_1_1_2&
78164  +4*e_2_1_2 &
78165  -4*e_1_1_1)
78166  e_2_2_2 = zeta*( c1*e_1_1_2 &
78167  +c2*e_2_1_2&
78168  +6*e_3_1_2 &
78169  -2*e_2_0_2)
78170  e_2_1_3 = zetb*( c1*e_1_1_2 &
78171  +c3*e_2_1_2&
78172  +6*e_3_1_2 &
78173  -4*e_2_1_1)
78174  e_3_2_2 = zeta*( c1*e_2_1_2 &
78175  +c2*e_3_1_2&
78176 
78177  )
78178  e_3_1_3 = zetb*( c1*e_2_1_2 &
78179  +c3*e_3_1_2&
78180 
78181  )
78182  e_4_2_2 = zeta*( c1*e_3_1_2 &
78183 
78184 
78185  )
78186  e_4_1_3 = zetb*( c1*e_3_1_2 &
78187 
78188 
78189  )
78190  e_0_2_3 = zetb*( &
78191  +c3*e_0_2_2&
78192  +2*e_1_2_2 &
78193  -4*e_0_2_1)
78194  e_1_2_3 = zetb*( c1*e_0_2_2 &
78195  +c3*e_1_2_2&
78196  +4*e_2_2_2 &
78197  -4*e_1_2_1)
78198  e_2_2_3 = zetb*( c1*e_1_2_2 &
78199  +c3*e_2_2_2&
78200  +6*e_3_2_2 &
78201  -4*e_2_2_1)
78202  e_3_2_3 = zetb*( c1*e_2_2_2 &
78203  +c3*e_3_2_2&
78204  +8*e_4_2_2 &
78205  -4*e_3_2_1)
78206  e_4_2_3 = zetb*( c1*e_3_2_2 &
78207  +c3*e_4_2_2&
78208 
78209  )
78210  e_5_2_3 = zetb*( c1*e_4_2_2 &
78211 
78212 
78213  )
78214  e_0_1_3 = zeta*( &
78215  +c2*e_0_0_3&
78216  +2*e_1_0_3 &
78217  )
78218  e_1_1_3 = zeta*( c1*e_0_0_3 &
78219  +c2*e_1_0_3&
78220  +4*e_2_0_3 &
78221  )
78222  e_2_1_3 = zeta*( c1*e_1_0_3 &
78223  +c2*e_2_0_3&
78224  +6*e_3_0_3 &
78225  )
78226  e_3_1_3 = zeta*( c1*e_2_0_3 &
78227  +c2*e_3_0_3&
78228 
78229  )
78230  e_4_1_3 = zeta*( c1*e_3_0_3 &
78231 
78232 
78233  )
78234  e_0_2_3 = zeta*( &
78235  +c2*e_0_1_3&
78236  +2*e_1_1_3 &
78237  -2*e_0_0_3)
78238  e_1_2_3 = zeta*( c1*e_0_1_3 &
78239  +c2*e_1_1_3&
78240  +4*e_2_1_3 &
78241  -2*e_1_0_3)
78242  e_2_2_3 = zeta*( c1*e_1_1_3 &
78243  +c2*e_2_1_3&
78244  +6*e_3_1_3 &
78245  -2*e_2_0_3)
78246  e_3_2_3 = zeta*( c1*e_2_1_3 &
78247  +c2*e_3_1_3&
78248  +8*e_4_1_3 &
78249  -2*e_3_0_3)
78250  e_4_2_3 = zeta*( c1*e_3_1_3 &
78251  +c2*e_4_1_3&
78252 
78253  )
78254  e_5_2_3 = zeta*( c1*e_4_1_3 &
78255 
78256 
78257  )
78258 
78259  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
78260  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
78261  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
78262  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
78263  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
78264  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
78265  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
78266  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
78267  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
78268  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
78269  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
78270  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
78271  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
78272  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
78273  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
78274  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
78275  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
78276  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
78277  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
78278  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
78279  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
78280  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
78281  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
78282  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
78283  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
78284  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
78285  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
78286  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
78287  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
78288  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
78289  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
78290  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
78291  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
78292  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
78293  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
78294  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
78295  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
78296  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
78297  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
78298  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
78299  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
78300  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
78301  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
78302  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
78303  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
78304  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
78305  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
78306  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
78307  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
78308  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
78309  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
78310  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
78311  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
78312  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
78313  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
78314  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
78315  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
78316  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
78317  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
78318  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
78319  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
78320  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
78321  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
78322  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
78323  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
78324  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
78325  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
78326  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
78327  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
78328  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
78329  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
78330  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
78331  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
78332  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
78333  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
78334  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
78335  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
78336  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
78337  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
78338  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
78339  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
78340  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
78341  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
78342  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
78343  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
78344  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
78345  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
78346  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
78347  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
78348  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
78349  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
78350  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
78351  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
78352  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
78353  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
78354  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
78355  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
78356  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
78357  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
78358  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
78359  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
78360  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
78361  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
78362  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
78363  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
78364  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
78365  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
78366  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
78367  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
78368  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
78369  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
78370  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
78371  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
78372  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
78373  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
78374  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
78375  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
78376  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
78377  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
78378  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
78379  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
78380  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
78381  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
78382  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
78383  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
78384  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
78385  r1 = r1 + dr
78386  END DO
78387 
78388  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
78389  END SUBROUTINE
78390  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_3_3_exp_1 ( &
78391  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
78392  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
78393  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
78394  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
78395  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
78396  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
78397  r_pow_t, r_tmp, rr1_delta, rr2_delta
78398 
78399  REAL(kind=dp) :: c1, c2, c3
78400  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
78401  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
78402  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
78403  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
78404  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
78405  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
78406  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
78407  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
78408  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
78409  & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
78410  & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3
78411 
78412  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
78413 
78414  dr = lgth
78415  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
78416 
78417  s_r(:, :, :) = 0.0_dp
78418 
78419  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
78420 
78421  h_to_c_0_0 = sqrt(alpha/pi)
78422 
78423  h_to_c_0_1 = 0.0_dp
78424  h_to_c_1_1 = +2*alpha*h_to_c_0_0
78425  h_to_c_0_2 = -1*h_to_c_1_1
78426  h_to_c_1_2 = +2*alpha*h_to_c_0_1
78427  h_to_c_2_2 = +2*alpha*h_to_c_1_1
78428  h_to_c_0_3 = -1*h_to_c_1_2
78429  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
78430  h_to_c_2_3 = +2*alpha*h_to_c_1_2
78431  h_to_c_3_3 = +2*alpha*h_to_c_2_2
78432  h_to_c_0_4 = -1*h_to_c_1_3
78433  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
78434  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
78435  h_to_c_3_4 = +2*alpha*h_to_c_2_3
78436  h_to_c_4_4 = +2*alpha*h_to_c_3_3
78437  h_to_c_0_5 = -1*h_to_c_1_4
78438  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
78439  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
78440  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
78441  h_to_c_4_5 = +2*alpha*h_to_c_3_4
78442  h_to_c_5_5 = +2*alpha*h_to_c_4_4
78443  h_to_c_0_6 = -1*h_to_c_1_5
78444  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
78445  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
78446  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
78447  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
78448  h_to_c_5_6 = +2*alpha*h_to_c_4_5
78449  h_to_c_6_6 = +2*alpha*h_to_c_5_5
78450  h_to_c_0_7 = -1*h_to_c_1_6
78451  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
78452  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
78453  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
78454  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
78455  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
78456  h_to_c_6_7 = +2*alpha*h_to_c_5_6
78457  h_to_c_7_7 = +2*alpha*h_to_c_6_6
78458  h_to_c_0_8 = -1*h_to_c_1_7
78459  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
78460  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
78461  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
78462  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
78463  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
78464  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
78465  h_to_c_7_8 = +2*alpha*h_to_c_6_7
78466  h_to_c_8_8 = +2*alpha*h_to_c_7_7
78467 
78468  exp_drsq = exp(-alpha*dr*dr)
78469  exp_2drsq = exp_drsq*exp_drsq
78470 
78471  rr1_delta = (ra - rb)/dr
78472 
78473  rr1_l = ceiling(-r_c(1) + rr1_delta)
78474  rr1_r = floor(r_c(1) + rr1_delta)
78475 
78476  r1 = rr1_l*dr
78477 
78478  alpha_e = zeta*zetb/(zeta + zetb)
78479 
78480  DO rr1 = rr1_l, rr1_r
78481  s_r_t_0 = 0.0_dp
78482  s_r_t2_0 = 0.0_dp
78483  s_r_t_1 = 0.0_dp
78484  s_r_t2_1 = 0.0_dp
78485  s_r_t_2 = 0.0_dp
78486  s_r_t2_2 = 0.0_dp
78487  s_r_t_3 = 0.0_dp
78488  s_r_t2_3 = 0.0_dp
78489  s_r_t_4 = 0.0_dp
78490  s_r_t2_4 = 0.0_dp
78491  s_r_t_5 = 0.0_dp
78492  s_r_t2_5 = 0.0_dp
78493  s_r_t_6 = 0.0_dp
78494  s_r_t2_6 = 0.0_dp
78495  s_r_t_7 = 0.0_dp
78496  s_r_t2_7 = 0.0_dp
78497  s_r_t_8 = 0.0_dp
78498  s_r_t2_8 = 0.0_dp
78499  r_tmp = r_offset + r1*zeta/(zeta + zetb)
78500  rr2_delta = -r_tmp/dr
78501 
78502  rr2_l = ceiling(-r_c(2) + rr2_delta)
78503  rr2_r = floor(r_c(2) + rr2_delta)
78504 
78505  r = r_tmp + (rr2_l)*dr
78506 
78507  exp2_2rdr = exp(-2*alpha*r*dr)
78508  exp2_rsq = exp(-alpha*r*r)
78509 
78510  DO rr2 = rr2_l, rr2_r
78511  r_pow_t = 1.0_dp
78512  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
78513  r_pow_t = r_pow_t*r
78514  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
78515  r_pow_t = r_pow_t*r
78516  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
78517  r_pow_t = r_pow_t*r
78518  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
78519  r_pow_t = r_pow_t*r
78520  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
78521  r_pow_t = r_pow_t*r
78522  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
78523  r_pow_t = r_pow_t*r
78524  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
78525  r_pow_t = r_pow_t*r
78526  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
78527  r_pow_t = r_pow_t*r
78528  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
78529 
78530  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
78531  exp2_2rdr = exp2_2rdr*exp_2drsq
78532  r = r + dr
78533  END DO
78534 
78535  ! C --> H
78536  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
78537  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
78538  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
78539  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
78540  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
78541  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
78542  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
78543  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
78544  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
78545  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
78546  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
78547  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
78548  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
78549  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
78550  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
78551  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
78552  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
78553  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
78554  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
78555  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
78556  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
78557  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
78558  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
78559  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
78560  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
78561  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
78562  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
78563  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
78564  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
78565  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
78566  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
78567  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
78568  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
78569  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
78570  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
78571  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
78572  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
78573  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
78574  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
78575  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
78576  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
78577  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
78578  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
78579  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
78580  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
78581 
78582  ! H --> HH
78583  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
78584 
78585  c1 = 1.0_dp/(zeta + zetb)
78586  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
78587  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
78588 
78589  e_0_1_0 = zeta*( &
78590  +c2*e_0_0_0&
78591 
78592  )
78593  e_0_0_1 = zetb*( &
78594  +c3*e_0_0_0&
78595 
78596  )
78597  e_1_1_0 = zeta*( c1*e_0_0_0 &
78598 
78599 
78600  )
78601  e_1_0_1 = zetb*( c1*e_0_0_0 &
78602 
78603 
78604  )
78605  e_0_2_0 = zeta*( &
78606  +c2*e_0_1_0&
78607  +2*e_1_1_0 &
78608  -2*e_0_0_0)
78609  e_0_1_1 = zetb*( &
78610  +c3*e_0_1_0&
78611  +2*e_1_1_0 &
78612  )
78613  e_1_2_0 = zeta*( c1*e_0_1_0 &
78614  +c2*e_1_1_0&
78615 
78616  )
78617  e_1_1_1 = zetb*( c1*e_0_1_0 &
78618  +c3*e_1_1_0&
78619 
78620  )
78621  e_2_2_0 = zeta*( c1*e_1_1_0 &
78622 
78623 
78624  )
78625  e_2_1_1 = zetb*( c1*e_1_1_0 &
78626 
78627 
78628  )
78629  e_0_2_1 = zetb*( &
78630  +c3*e_0_2_0&
78631  +2*e_1_2_0 &
78632  )
78633  e_1_2_1 = zetb*( c1*e_0_2_0 &
78634  +c3*e_1_2_0&
78635  +4*e_2_2_0 &
78636  )
78637  e_2_2_1 = zetb*( c1*e_1_2_0 &
78638  +c3*e_2_2_0&
78639 
78640  )
78641  e_3_2_1 = zetb*( c1*e_2_2_0 &
78642 
78643 
78644  )
78645  e_0_1_1 = zeta*( &
78646  +c2*e_0_0_1&
78647  +2*e_1_0_1 &
78648  )
78649  e_0_0_2 = zetb*( &
78650  +c3*e_0_0_1&
78651  +2*e_1_0_1 &
78652  -2*e_0_0_0)
78653  e_1_1_1 = zeta*( c1*e_0_0_1 &
78654  +c2*e_1_0_1&
78655 
78656  )
78657  e_1_0_2 = zetb*( c1*e_0_0_1 &
78658  +c3*e_1_0_1&
78659 
78660  )
78661  e_2_1_1 = zeta*( c1*e_1_0_1 &
78662 
78663 
78664  )
78665  e_2_0_2 = zetb*( c1*e_1_0_1 &
78666 
78667 
78668  )
78669  e_0_2_1 = zeta*( &
78670  +c2*e_0_1_1&
78671  +2*e_1_1_1 &
78672  -2*e_0_0_1)
78673  e_0_1_2 = zetb*( &
78674  +c3*e_0_1_1&
78675  +2*e_1_1_1 &
78676  -2*e_0_1_0)
78677  e_1_2_1 = zeta*( c1*e_0_1_1 &
78678  +c2*e_1_1_1&
78679  +4*e_2_1_1 &
78680  -2*e_1_0_1)
78681  e_1_1_2 = zetb*( c1*e_0_1_1 &
78682  +c3*e_1_1_1&
78683  +4*e_2_1_1 &
78684  -2*e_1_1_0)
78685  e_2_2_1 = zeta*( c1*e_1_1_1 &
78686  +c2*e_2_1_1&
78687 
78688  )
78689  e_2_1_2 = zetb*( c1*e_1_1_1 &
78690  +c3*e_2_1_1&
78691 
78692  )
78693  e_3_2_1 = zeta*( c1*e_2_1_1 &
78694 
78695 
78696  )
78697  e_3_1_2 = zetb*( c1*e_2_1_1 &
78698 
78699 
78700  )
78701  e_0_2_2 = zetb*( &
78702  +c3*e_0_2_1&
78703  +2*e_1_2_1 &
78704  -2*e_0_2_0)
78705  e_1_2_2 = zetb*( c1*e_0_2_1 &
78706  +c3*e_1_2_1&
78707  +4*e_2_2_1 &
78708  -2*e_1_2_0)
78709  e_2_2_2 = zetb*( c1*e_1_2_1 &
78710  +c3*e_2_2_1&
78711  +6*e_3_2_1 &
78712  -2*e_2_2_0)
78713  e_3_2_2 = zetb*( c1*e_2_2_1 &
78714  +c3*e_3_2_1&
78715 
78716  )
78717  e_4_2_2 = zetb*( c1*e_3_2_1 &
78718 
78719 
78720  )
78721  e_0_1_2 = zeta*( &
78722  +c2*e_0_0_2&
78723  +2*e_1_0_2 &
78724  )
78725  e_0_0_3 = zetb*( &
78726  +c3*e_0_0_2&
78727  +2*e_1_0_2 &
78728  -4*e_0_0_1)
78729  e_1_1_2 = zeta*( c1*e_0_0_2 &
78730  +c2*e_1_0_2&
78731  +4*e_2_0_2 &
78732  )
78733  e_1_0_3 = zetb*( c1*e_0_0_2 &
78734  +c3*e_1_0_2&
78735  +4*e_2_0_2 &
78736  -4*e_1_0_1)
78737  e_2_1_2 = zeta*( c1*e_1_0_2 &
78738  +c2*e_2_0_2&
78739 
78740  )
78741  e_2_0_3 = zetb*( c1*e_1_0_2 &
78742  +c3*e_2_0_2&
78743 
78744  )
78745  e_3_1_2 = zeta*( c1*e_2_0_2 &
78746 
78747 
78748  )
78749  e_3_0_3 = zetb*( c1*e_2_0_2 &
78750 
78751 
78752  )
78753  e_0_2_2 = zeta*( &
78754  +c2*e_0_1_2&
78755  +2*e_1_1_2 &
78756  -2*e_0_0_2)
78757  e_0_1_3 = zetb*( &
78758  +c3*e_0_1_2&
78759  +2*e_1_1_2 &
78760  -4*e_0_1_1)
78761  e_1_2_2 = zeta*( c1*e_0_1_2 &
78762  +c2*e_1_1_2&
78763  +4*e_2_1_2 &
78764  -2*e_1_0_2)
78765  e_1_1_3 = zetb*( c1*e_0_1_2 &
78766  +c3*e_1_1_2&
78767  +4*e_2_1_2 &
78768  -4*e_1_1_1)
78769  e_2_2_2 = zeta*( c1*e_1_1_2 &
78770  +c2*e_2_1_2&
78771  +6*e_3_1_2 &
78772  -2*e_2_0_2)
78773  e_2_1_3 = zetb*( c1*e_1_1_2 &
78774  +c3*e_2_1_2&
78775  +6*e_3_1_2 &
78776  -4*e_2_1_1)
78777  e_3_2_2 = zeta*( c1*e_2_1_2 &
78778  +c2*e_3_1_2&
78779 
78780  )
78781  e_3_1_3 = zetb*( c1*e_2_1_2 &
78782  +c3*e_3_1_2&
78783 
78784  )
78785  e_4_2_2 = zeta*( c1*e_3_1_2 &
78786 
78787 
78788  )
78789  e_4_1_3 = zetb*( c1*e_3_1_2 &
78790 
78791 
78792  )
78793  e_0_2_3 = zetb*( &
78794  +c3*e_0_2_2&
78795  +2*e_1_2_2 &
78796  -4*e_0_2_1)
78797  e_1_2_3 = zetb*( c1*e_0_2_2 &
78798  +c3*e_1_2_2&
78799  +4*e_2_2_2 &
78800  -4*e_1_2_1)
78801  e_2_2_3 = zetb*( c1*e_1_2_2 &
78802  +c3*e_2_2_2&
78803  +6*e_3_2_2 &
78804  -4*e_2_2_1)
78805  e_3_2_3 = zetb*( c1*e_2_2_2 &
78806  +c3*e_3_2_2&
78807  +8*e_4_2_2 &
78808  -4*e_3_2_1)
78809  e_4_2_3 = zetb*( c1*e_3_2_2 &
78810  +c3*e_4_2_2&
78811 
78812  )
78813  e_5_2_3 = zetb*( c1*e_4_2_2 &
78814 
78815 
78816  )
78817  e_0_1_3 = zeta*( &
78818  +c2*e_0_0_3&
78819  +2*e_1_0_3 &
78820  )
78821  e_1_1_3 = zeta*( c1*e_0_0_3 &
78822  +c2*e_1_0_3&
78823  +4*e_2_0_3 &
78824  )
78825  e_2_1_3 = zeta*( c1*e_1_0_3 &
78826  +c2*e_2_0_3&
78827  +6*e_3_0_3 &
78828  )
78829  e_3_1_3 = zeta*( c1*e_2_0_3 &
78830  +c2*e_3_0_3&
78831 
78832  )
78833  e_4_1_3 = zeta*( c1*e_3_0_3 &
78834 
78835 
78836  )
78837  e_0_2_3 = zeta*( &
78838  +c2*e_0_1_3&
78839  +2*e_1_1_3 &
78840  -2*e_0_0_3)
78841  e_1_2_3 = zeta*( c1*e_0_1_3 &
78842  +c2*e_1_1_3&
78843  +4*e_2_1_3 &
78844  -2*e_1_0_3)
78845  e_2_2_3 = zeta*( c1*e_1_1_3 &
78846  +c2*e_2_1_3&
78847  +6*e_3_1_3 &
78848  -2*e_2_0_3)
78849  e_3_2_3 = zeta*( c1*e_2_1_3 &
78850  +c2*e_3_1_3&
78851  +8*e_4_1_3 &
78852  -2*e_3_0_3)
78853  e_4_2_3 = zeta*( c1*e_3_1_3 &
78854  +c2*e_4_1_3&
78855 
78856  )
78857  e_5_2_3 = zeta*( c1*e_4_1_3 &
78858 
78859 
78860  )
78861 
78862  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
78863  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
78864  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
78865  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
78866  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
78867  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
78868  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
78869  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
78870  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
78871  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
78872  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
78873  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
78874  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
78875  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
78876  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
78877  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
78878  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
78879  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
78880  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
78881  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
78882  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
78883  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
78884  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
78885  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
78886  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
78887  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
78888  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
78889  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
78890  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
78891  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
78892  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
78893  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
78894  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
78895  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
78896  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
78897  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
78898  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
78899  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
78900  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
78901  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
78902  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
78903  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
78904  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
78905  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
78906  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
78907  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
78908  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
78909  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
78910  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
78911  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
78912  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
78913  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
78914  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
78915  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
78916  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
78917  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
78918  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
78919  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
78920  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
78921  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
78922  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
78923  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
78924  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
78925  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
78926  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
78927  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
78928  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
78929  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
78930  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
78931  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
78932  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
78933  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
78934  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
78935  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
78936  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
78937  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
78938  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
78939  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
78940  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
78941  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
78942  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
78943  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
78944  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
78945  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
78946  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
78947  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
78948  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
78949  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
78950  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
78951  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
78952  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
78953  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
78954  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
78955  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
78956  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
78957  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
78958  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
78959  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
78960  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
78961  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
78962  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
78963  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
78964  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
78965  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
78966  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
78967  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
78968  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
78969  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
78970  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
78971  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
78972  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
78973  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
78974  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
78975  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
78976  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
78977  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
78978  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
78979  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
78980  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
78981  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
78982  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
78983  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
78984  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
78985  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
78986  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
78987  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
78988  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
78989  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
78990  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
78991  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
78992  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
78993  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
78994  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
78995  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
78996  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
78997  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
78998  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
78999  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
79000  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
79001  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
79002  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
79003  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
79004  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
79005  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
79006  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
79007  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
79008  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
79009  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
79010  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
79011  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
79012  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
79013  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
79014  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
79015  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
79016  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
79017  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
79018  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
79019  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
79020  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
79021  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
79022  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
79023  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
79024  s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
79025  s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
79026  s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
79027  s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
79028  s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
79029  s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
79030  r1 = r1 + dr
79031  END DO
79032 
79033  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
79034  END SUBROUTINE
79035  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_3_4_exp_1 ( &
79036  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
79037  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
79038  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
79039  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
79040  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
79041  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
79042  r_pow_t, r_tmp, rr1_delta, rr2_delta
79043 
79044  REAL(kind=dp) :: c1, c2, c3
79045  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
79046  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
79047  & s_r_t2_9
79048  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
79049  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
79050  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
79051  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
79052  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
79053  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
79054  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
79055  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
79056  & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
79057  & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3
79058 
79059  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
79060 
79061  dr = lgth
79062  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
79063 
79064  s_r(:, :, :) = 0.0_dp
79065 
79066  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
79067 
79068  h_to_c_0_0 = sqrt(alpha/pi)
79069 
79070  h_to_c_0_1 = 0.0_dp
79071  h_to_c_1_1 = +2*alpha*h_to_c_0_0
79072  h_to_c_0_2 = -1*h_to_c_1_1
79073  h_to_c_1_2 = +2*alpha*h_to_c_0_1
79074  h_to_c_2_2 = +2*alpha*h_to_c_1_1
79075  h_to_c_0_3 = -1*h_to_c_1_2
79076  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
79077  h_to_c_2_3 = +2*alpha*h_to_c_1_2
79078  h_to_c_3_3 = +2*alpha*h_to_c_2_2
79079  h_to_c_0_4 = -1*h_to_c_1_3
79080  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
79081  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
79082  h_to_c_3_4 = +2*alpha*h_to_c_2_3
79083  h_to_c_4_4 = +2*alpha*h_to_c_3_3
79084  h_to_c_0_5 = -1*h_to_c_1_4
79085  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
79086  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
79087  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
79088  h_to_c_4_5 = +2*alpha*h_to_c_3_4
79089  h_to_c_5_5 = +2*alpha*h_to_c_4_4
79090  h_to_c_0_6 = -1*h_to_c_1_5
79091  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
79092  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
79093  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
79094  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
79095  h_to_c_5_6 = +2*alpha*h_to_c_4_5
79096  h_to_c_6_6 = +2*alpha*h_to_c_5_5
79097  h_to_c_0_7 = -1*h_to_c_1_6
79098  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
79099  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
79100  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
79101  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
79102  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
79103  h_to_c_6_7 = +2*alpha*h_to_c_5_6
79104  h_to_c_7_7 = +2*alpha*h_to_c_6_6
79105  h_to_c_0_8 = -1*h_to_c_1_7
79106  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
79107  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
79108  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
79109  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
79110  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
79111  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
79112  h_to_c_7_8 = +2*alpha*h_to_c_6_7
79113  h_to_c_8_8 = +2*alpha*h_to_c_7_7
79114  h_to_c_0_9 = -1*h_to_c_1_8
79115  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
79116  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
79117  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
79118  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
79119  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
79120  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
79121  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
79122  h_to_c_8_9 = +2*alpha*h_to_c_7_8
79123  h_to_c_9_9 = +2*alpha*h_to_c_8_8
79124 
79125  exp_drsq = exp(-alpha*dr*dr)
79126  exp_2drsq = exp_drsq*exp_drsq
79127 
79128  rr1_delta = (ra - rb)/dr
79129 
79130  rr1_l = ceiling(-r_c(1) + rr1_delta)
79131  rr1_r = floor(r_c(1) + rr1_delta)
79132 
79133  r1 = rr1_l*dr
79134 
79135  alpha_e = zeta*zetb/(zeta + zetb)
79136 
79137  DO rr1 = rr1_l, rr1_r
79138  s_r_t_0 = 0.0_dp
79139  s_r_t2_0 = 0.0_dp
79140  s_r_t_1 = 0.0_dp
79141  s_r_t2_1 = 0.0_dp
79142  s_r_t_2 = 0.0_dp
79143  s_r_t2_2 = 0.0_dp
79144  s_r_t_3 = 0.0_dp
79145  s_r_t2_3 = 0.0_dp
79146  s_r_t_4 = 0.0_dp
79147  s_r_t2_4 = 0.0_dp
79148  s_r_t_5 = 0.0_dp
79149  s_r_t2_5 = 0.0_dp
79150  s_r_t_6 = 0.0_dp
79151  s_r_t2_6 = 0.0_dp
79152  s_r_t_7 = 0.0_dp
79153  s_r_t2_7 = 0.0_dp
79154  s_r_t_8 = 0.0_dp
79155  s_r_t2_8 = 0.0_dp
79156  s_r_t_9 = 0.0_dp
79157  s_r_t2_9 = 0.0_dp
79158  r_tmp = r_offset + r1*zeta/(zeta + zetb)
79159  rr2_delta = -r_tmp/dr
79160 
79161  rr2_l = ceiling(-r_c(2) + rr2_delta)
79162  rr2_r = floor(r_c(2) + rr2_delta)
79163 
79164  r = r_tmp + (rr2_l)*dr
79165 
79166  exp2_2rdr = exp(-2*alpha*r*dr)
79167  exp2_rsq = exp(-alpha*r*r)
79168 
79169  DO rr2 = rr2_l, rr2_r
79170  r_pow_t = 1.0_dp
79171  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
79172  r_pow_t = r_pow_t*r
79173  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
79174  r_pow_t = r_pow_t*r
79175  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
79176  r_pow_t = r_pow_t*r
79177  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
79178  r_pow_t = r_pow_t*r
79179  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
79180  r_pow_t = r_pow_t*r
79181  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
79182  r_pow_t = r_pow_t*r
79183  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
79184  r_pow_t = r_pow_t*r
79185  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
79186  r_pow_t = r_pow_t*r
79187  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
79188  r_pow_t = r_pow_t*r
79189  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
79190 
79191  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
79192  exp2_2rdr = exp2_2rdr*exp_2drsq
79193  r = r + dr
79194  END DO
79195 
79196  ! C --> H
79197  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
79198  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
79199  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
79200  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
79201  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
79202  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
79203  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
79204  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
79205  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
79206  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
79207  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
79208  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
79209  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
79210  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
79211  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
79212  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
79213  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
79214  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
79215  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
79216  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
79217  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
79218  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
79219  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
79220  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
79221  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
79222  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
79223  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
79224  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
79225  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
79226  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
79227  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
79228  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
79229  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
79230  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
79231  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
79232  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
79233  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
79234  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
79235  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
79236  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
79237  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
79238  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
79239  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
79240  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
79241  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
79242  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
79243  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
79244  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
79245  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
79246  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
79247  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
79248  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
79249  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
79250  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
79251  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
79252 
79253  ! H --> HH
79254  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
79255 
79256  c1 = 1.0_dp/(zeta + zetb)
79257  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
79258  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
79259 
79260  e_0_1_0 = zeta*( &
79261  +c2*e_0_0_0&
79262 
79263  )
79264  e_0_0_1 = zetb*( &
79265  +c3*e_0_0_0&
79266 
79267  )
79268  e_1_1_0 = zeta*( c1*e_0_0_0 &
79269 
79270 
79271  )
79272  e_1_0_1 = zetb*( c1*e_0_0_0 &
79273 
79274 
79275  )
79276  e_0_2_0 = zeta*( &
79277  +c2*e_0_1_0&
79278  +2*e_1_1_0 &
79279  -2*e_0_0_0)
79280  e_0_1_1 = zetb*( &
79281  +c3*e_0_1_0&
79282  +2*e_1_1_0 &
79283  )
79284  e_1_2_0 = zeta*( c1*e_0_1_0 &
79285  +c2*e_1_1_0&
79286 
79287  )
79288  e_1_1_1 = zetb*( c1*e_0_1_0 &
79289  +c3*e_1_1_0&
79290 
79291  )
79292  e_2_2_0 = zeta*( c1*e_1_1_0 &
79293 
79294 
79295  )
79296  e_2_1_1 = zetb*( c1*e_1_1_0 &
79297 
79298 
79299  )
79300  e_0_2_1 = zetb*( &
79301  +c3*e_0_2_0&
79302  +2*e_1_2_0 &
79303  )
79304  e_1_2_1 = zetb*( c1*e_0_2_0 &
79305  +c3*e_1_2_0&
79306  +4*e_2_2_0 &
79307  )
79308  e_2_2_1 = zetb*( c1*e_1_2_0 &
79309  +c3*e_2_2_0&
79310 
79311  )
79312  e_3_2_1 = zetb*( c1*e_2_2_0 &
79313 
79314 
79315  )
79316  e_0_1_1 = zeta*( &
79317  +c2*e_0_0_1&
79318  +2*e_1_0_1 &
79319  )
79320  e_0_0_2 = zetb*( &
79321  +c3*e_0_0_1&
79322  +2*e_1_0_1 &
79323  -2*e_0_0_0)
79324  e_1_1_1 = zeta*( c1*e_0_0_1 &
79325  +c2*e_1_0_1&
79326 
79327  )
79328  e_1_0_2 = zetb*( c1*e_0_0_1 &
79329  +c3*e_1_0_1&
79330 
79331  )
79332  e_2_1_1 = zeta*( c1*e_1_0_1 &
79333 
79334 
79335  )
79336  e_2_0_2 = zetb*( c1*e_1_0_1 &
79337 
79338 
79339  )
79340  e_0_2_1 = zeta*( &
79341  +c2*e_0_1_1&
79342  +2*e_1_1_1 &
79343  -2*e_0_0_1)
79344  e_0_1_2 = zetb*( &
79345  +c3*e_0_1_1&
79346  +2*e_1_1_1 &
79347  -2*e_0_1_0)
79348  e_1_2_1 = zeta*( c1*e_0_1_1 &
79349  +c2*e_1_1_1&
79350  +4*e_2_1_1 &
79351  -2*e_1_0_1)
79352  e_1_1_2 = zetb*( c1*e_0_1_1 &
79353  +c3*e_1_1_1&
79354  +4*e_2_1_1 &
79355  -2*e_1_1_0)
79356  e_2_2_1 = zeta*( c1*e_1_1_1 &
79357  +c2*e_2_1_1&
79358 
79359  )
79360  e_2_1_2 = zetb*( c1*e_1_1_1 &
79361  +c3*e_2_1_1&
79362 
79363  )
79364  e_3_2_1 = zeta*( c1*e_2_1_1 &
79365 
79366 
79367  )
79368  e_3_1_2 = zetb*( c1*e_2_1_1 &
79369 
79370 
79371  )
79372  e_0_2_2 = zetb*( &
79373  +c3*e_0_2_1&
79374  +2*e_1_2_1 &
79375  -2*e_0_2_0)
79376  e_1_2_2 = zetb*( c1*e_0_2_1 &
79377  +c3*e_1_2_1&
79378  +4*e_2_2_1 &
79379  -2*e_1_2_0)
79380  e_2_2_2 = zetb*( c1*e_1_2_1 &
79381  +c3*e_2_2_1&
79382  +6*e_3_2_1 &
79383  -2*e_2_2_0)
79384  e_3_2_2 = zetb*( c1*e_2_2_1 &
79385  +c3*e_3_2_1&
79386 
79387  )
79388  e_4_2_2 = zetb*( c1*e_3_2_1 &
79389 
79390 
79391  )
79392  e_0_1_2 = zeta*( &
79393  +c2*e_0_0_2&
79394  +2*e_1_0_2 &
79395  )
79396  e_0_0_3 = zetb*( &
79397  +c3*e_0_0_2&
79398  +2*e_1_0_2 &
79399  -4*e_0_0_1)
79400  e_1_1_2 = zeta*( c1*e_0_0_2 &
79401  +c2*e_1_0_2&
79402  +4*e_2_0_2 &
79403  )
79404  e_1_0_3 = zetb*( c1*e_0_0_2 &
79405  +c3*e_1_0_2&
79406  +4*e_2_0_2 &
79407  -4*e_1_0_1)
79408  e_2_1_2 = zeta*( c1*e_1_0_2 &
79409  +c2*e_2_0_2&
79410 
79411  )
79412  e_2_0_3 = zetb*( c1*e_1_0_2 &
79413  +c3*e_2_0_2&
79414 
79415  )
79416  e_3_1_2 = zeta*( c1*e_2_0_2 &
79417 
79418 
79419  )
79420  e_3_0_3 = zetb*( c1*e_2_0_2 &
79421 
79422 
79423  )
79424  e_0_2_2 = zeta*( &
79425  +c2*e_0_1_2&
79426  +2*e_1_1_2 &
79427  -2*e_0_0_2)
79428  e_0_1_3 = zetb*( &
79429  +c3*e_0_1_2&
79430  +2*e_1_1_2 &
79431  -4*e_0_1_1)
79432  e_1_2_2 = zeta*( c1*e_0_1_2 &
79433  +c2*e_1_1_2&
79434  +4*e_2_1_2 &
79435  -2*e_1_0_2)
79436  e_1_1_3 = zetb*( c1*e_0_1_2 &
79437  +c3*e_1_1_2&
79438  +4*e_2_1_2 &
79439  -4*e_1_1_1)
79440  e_2_2_2 = zeta*( c1*e_1_1_2 &
79441  +c2*e_2_1_2&
79442  +6*e_3_1_2 &
79443  -2*e_2_0_2)
79444  e_2_1_3 = zetb*( c1*e_1_1_2 &
79445  +c3*e_2_1_2&
79446  +6*e_3_1_2 &
79447  -4*e_2_1_1)
79448  e_3_2_2 = zeta*( c1*e_2_1_2 &
79449  +c2*e_3_1_2&
79450 
79451  )
79452  e_3_1_3 = zetb*( c1*e_2_1_2 &
79453  +c3*e_3_1_2&
79454 
79455  )
79456  e_4_2_2 = zeta*( c1*e_3_1_2 &
79457 
79458 
79459  )
79460  e_4_1_3 = zetb*( c1*e_3_1_2 &
79461 
79462 
79463  )
79464  e_0_2_3 = zetb*( &
79465  +c3*e_0_2_2&
79466  +2*e_1_2_2 &
79467  -4*e_0_2_1)
79468  e_1_2_3 = zetb*( c1*e_0_2_2 &
79469  +c3*e_1_2_2&
79470  +4*e_2_2_2 &
79471  -4*e_1_2_1)
79472  e_2_2_3 = zetb*( c1*e_1_2_2 &
79473  +c3*e_2_2_2&
79474  +6*e_3_2_2 &
79475  -4*e_2_2_1)
79476  e_3_2_3 = zetb*( c1*e_2_2_2 &
79477  +c3*e_3_2_2&
79478  +8*e_4_2_2 &
79479  -4*e_3_2_1)
79480  e_4_2_3 = zetb*( c1*e_3_2_2 &
79481  +c3*e_4_2_2&
79482 
79483  )
79484  e_5_2_3 = zetb*( c1*e_4_2_2 &
79485 
79486 
79487  )
79488  e_0_1_3 = zeta*( &
79489  +c2*e_0_0_3&
79490  +2*e_1_0_3 &
79491  )
79492  e_1_1_3 = zeta*( c1*e_0_0_3 &
79493  +c2*e_1_0_3&
79494  +4*e_2_0_3 &
79495  )
79496  e_2_1_3 = zeta*( c1*e_1_0_3 &
79497  +c2*e_2_0_3&
79498  +6*e_3_0_3 &
79499  )
79500  e_3_1_3 = zeta*( c1*e_2_0_3 &
79501  +c2*e_3_0_3&
79502 
79503  )
79504  e_4_1_3 = zeta*( c1*e_3_0_3 &
79505 
79506 
79507  )
79508  e_0_2_3 = zeta*( &
79509  +c2*e_0_1_3&
79510  +2*e_1_1_3 &
79511  -2*e_0_0_3)
79512  e_1_2_3 = zeta*( c1*e_0_1_3 &
79513  +c2*e_1_1_3&
79514  +4*e_2_1_3 &
79515  -2*e_1_0_3)
79516  e_2_2_3 = zeta*( c1*e_1_1_3 &
79517  +c2*e_2_1_3&
79518  +6*e_3_1_3 &
79519  -2*e_2_0_3)
79520  e_3_2_3 = zeta*( c1*e_2_1_3 &
79521  +c2*e_3_1_3&
79522  +8*e_4_1_3 &
79523  -2*e_3_0_3)
79524  e_4_2_3 = zeta*( c1*e_3_1_3 &
79525  +c2*e_4_1_3&
79526 
79527  )
79528  e_5_2_3 = zeta*( c1*e_4_1_3 &
79529 
79530 
79531  )
79532 
79533  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
79534  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
79535  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
79536  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
79537  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
79538  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
79539  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
79540  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
79541  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
79542  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
79543  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
79544  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
79545  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
79546  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
79547  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
79548  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
79549  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
79550  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
79551  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
79552  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
79553  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
79554  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
79555  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
79556  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
79557  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
79558  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
79559  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
79560  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
79561  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
79562  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
79563  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
79564  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
79565  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
79566  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
79567  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
79568  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
79569  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
79570  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
79571  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
79572  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
79573  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
79574  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
79575  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
79576  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
79577  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
79578  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
79579  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
79580  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
79581  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
79582  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
79583  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
79584  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
79585  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
79586  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
79587  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
79588  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
79589  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
79590  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
79591  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
79592  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
79593  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
79594  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
79595  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
79596  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
79597  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
79598  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
79599  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
79600  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
79601  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
79602  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
79603  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
79604  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
79605  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
79606  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
79607  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
79608  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
79609  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
79610  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
79611  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
79612  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
79613  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
79614  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
79615  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
79616  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
79617  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
79618  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
79619  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
79620  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
79621  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
79622  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
79623  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
79624  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
79625  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
79626  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
79627  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
79628  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
79629  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
79630  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
79631  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
79632  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
79633  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
79634  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
79635  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
79636  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
79637  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
79638  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
79639  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
79640  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
79641  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
79642  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
79643  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
79644  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
79645  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
79646  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
79647  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
79648  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
79649  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
79650  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
79651  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
79652  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
79653  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
79654  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
79655  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
79656  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
79657  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
79658  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
79659  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
79660  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
79661  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
79662  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
79663  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
79664  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
79665  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
79666  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
79667  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
79668  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
79669  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
79670  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
79671  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
79672  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
79673  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
79674  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
79675  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
79676  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
79677  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
79678  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
79679  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
79680  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
79681  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
79682  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
79683  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
79684  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
79685  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
79686  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
79687  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
79688  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
79689  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
79690  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
79691  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
79692  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
79693  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
79694  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
79695  s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
79696  s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
79697  s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
79698  s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
79699  s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
79700  s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
79701  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
79702  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
79703  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
79704  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
79705  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
79706  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
79707  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
79708  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
79709  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
79710  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
79711  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
79712  s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
79713  s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
79714  s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
79715  s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
79716  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
79717  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
79718  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
79719  s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
79720  s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
79721  s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
79722  s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
79723  s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
79724  s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
79725  s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
79726  s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
79727  s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
79728  s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
79729  s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
79730  s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
79731  s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
79732  s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
79733  s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
79734  s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
79735  s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
79736  s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
79737  s_r(2, 3, 4) = s_r(2, 3, 4) + e_0_2_3*(1)*s_r_t2_4 ! cost: 5 flops
79738  s_r(2, 3, 4) = s_r(2, 3, 4) + e_1_2_3*(1)*s_r_t2_5 ! cost: 5 flops
79739  s_r(2, 3, 4) = s_r(2, 3, 4) + e_2_2_3*(1)*s_r_t2_6 ! cost: 5 flops
79740  s_r(2, 3, 4) = s_r(2, 3, 4) + e_3_2_3*(1)*s_r_t2_7 ! cost: 5 flops
79741  s_r(2, 3, 4) = s_r(2, 3, 4) + e_4_2_3*(1)*s_r_t2_8 ! cost: 5 flops
79742  s_r(2, 3, 4) = s_r(2, 3, 4) + e_5_2_3*(1)*s_r_t2_9 ! cost: 5 flops
79743  r1 = r1 + dr
79744  END DO
79745 
79746  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
79747  END SUBROUTINE
79748  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_4_0_exp_1 ( &
79749  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
79750  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
79751  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
79752  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
79753  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
79754  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
79755  r_pow_t, r_tmp, rr1_delta, rr2_delta
79756 
79757  REAL(kind=dp) :: c1, c2, c3
79758  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
79759  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
79760  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
79761  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
79762  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
79763  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
79764  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
79765  & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
79766  & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4,&
79767  & e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4, e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4
79768 
79769  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
79770 
79771  dr = lgth
79772  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
79773 
79774  s_r(:, :, :) = 0.0_dp
79775 
79776  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
79777 
79778  h_to_c_0_0 = sqrt(alpha/pi)
79779 
79780  h_to_c_0_1 = 0.0_dp
79781  h_to_c_1_1 = +2*alpha*h_to_c_0_0
79782  h_to_c_0_2 = -1*h_to_c_1_1
79783  h_to_c_1_2 = +2*alpha*h_to_c_0_1
79784  h_to_c_2_2 = +2*alpha*h_to_c_1_1
79785  h_to_c_0_3 = -1*h_to_c_1_2
79786  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
79787  h_to_c_2_3 = +2*alpha*h_to_c_1_2
79788  h_to_c_3_3 = +2*alpha*h_to_c_2_2
79789  h_to_c_0_4 = -1*h_to_c_1_3
79790  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
79791  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
79792  h_to_c_3_4 = +2*alpha*h_to_c_2_3
79793  h_to_c_4_4 = +2*alpha*h_to_c_3_3
79794  h_to_c_0_5 = -1*h_to_c_1_4
79795  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
79796  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
79797  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
79798  h_to_c_4_5 = +2*alpha*h_to_c_3_4
79799  h_to_c_5_5 = +2*alpha*h_to_c_4_4
79800  h_to_c_0_6 = -1*h_to_c_1_5
79801  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
79802  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
79803  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
79804  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
79805  h_to_c_5_6 = +2*alpha*h_to_c_4_5
79806  h_to_c_6_6 = +2*alpha*h_to_c_5_5
79807 
79808  exp_drsq = exp(-alpha*dr*dr)
79809  exp_2drsq = exp_drsq*exp_drsq
79810 
79811  rr1_delta = (ra - rb)/dr
79812 
79813  rr1_l = ceiling(-r_c(1) + rr1_delta)
79814  rr1_r = floor(r_c(1) + rr1_delta)
79815 
79816  r1 = rr1_l*dr
79817 
79818  alpha_e = zeta*zetb/(zeta + zetb)
79819 
79820  DO rr1 = rr1_l, rr1_r
79821  s_r_t_0 = 0.0_dp
79822  s_r_t2_0 = 0.0_dp
79823  s_r_t_1 = 0.0_dp
79824  s_r_t2_1 = 0.0_dp
79825  s_r_t_2 = 0.0_dp
79826  s_r_t2_2 = 0.0_dp
79827  s_r_t_3 = 0.0_dp
79828  s_r_t2_3 = 0.0_dp
79829  s_r_t_4 = 0.0_dp
79830  s_r_t2_4 = 0.0_dp
79831  s_r_t_5 = 0.0_dp
79832  s_r_t2_5 = 0.0_dp
79833  s_r_t_6 = 0.0_dp
79834  s_r_t2_6 = 0.0_dp
79835  r_tmp = r_offset + r1*zeta/(zeta + zetb)
79836  rr2_delta = -r_tmp/dr
79837 
79838  rr2_l = ceiling(-r_c(2) + rr2_delta)
79839  rr2_r = floor(r_c(2) + rr2_delta)
79840 
79841  r = r_tmp + (rr2_l)*dr
79842 
79843  exp2_2rdr = exp(-2*alpha*r*dr)
79844  exp2_rsq = exp(-alpha*r*r)
79845 
79846  DO rr2 = rr2_l, rr2_r
79847  r_pow_t = 1.0_dp
79848  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
79849  r_pow_t = r_pow_t*r
79850  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
79851  r_pow_t = r_pow_t*r
79852  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
79853  r_pow_t = r_pow_t*r
79854  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
79855  r_pow_t = r_pow_t*r
79856  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
79857  r_pow_t = r_pow_t*r
79858  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
79859  r_pow_t = r_pow_t*r
79860  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
79861 
79862  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
79863  exp2_2rdr = exp2_2rdr*exp_2drsq
79864  r = r + dr
79865  END DO
79866 
79867  ! C --> H
79868  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
79869  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
79870  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
79871  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
79872  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
79873  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
79874  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
79875  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
79876  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
79877  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
79878  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
79879  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
79880  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
79881  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
79882  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
79883  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
79884  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
79885  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
79886  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
79887  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
79888  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
79889  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
79890  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
79891  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
79892  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
79893  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
79894  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
79895  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
79896 
79897  ! H --> HH
79898  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
79899 
79900  c1 = 1.0_dp/(zeta + zetb)
79901  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
79902  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
79903 
79904  e_0_1_0 = zeta*( &
79905  +c2*e_0_0_0&
79906 
79907  )
79908  e_0_0_1 = zetb*( &
79909  +c3*e_0_0_0&
79910 
79911  )
79912  e_1_1_0 = zeta*( c1*e_0_0_0 &
79913 
79914 
79915  )
79916  e_1_0_1 = zetb*( c1*e_0_0_0 &
79917 
79918 
79919  )
79920  e_0_2_0 = zeta*( &
79921  +c2*e_0_1_0&
79922  +2*e_1_1_0 &
79923  -2*e_0_0_0)
79924  e_0_1_1 = zetb*( &
79925  +c3*e_0_1_0&
79926  +2*e_1_1_0 &
79927  )
79928  e_1_2_0 = zeta*( c1*e_0_1_0 &
79929  +c2*e_1_1_0&
79930 
79931  )
79932  e_1_1_1 = zetb*( c1*e_0_1_0 &
79933  +c3*e_1_1_0&
79934 
79935  )
79936  e_2_2_0 = zeta*( c1*e_1_1_0 &
79937 
79938 
79939  )
79940  e_2_1_1 = zetb*( c1*e_1_1_0 &
79941 
79942 
79943  )
79944  e_0_2_1 = zetb*( &
79945  +c3*e_0_2_0&
79946  +2*e_1_2_0 &
79947  )
79948  e_1_2_1 = zetb*( c1*e_0_2_0 &
79949  +c3*e_1_2_0&
79950  +4*e_2_2_0 &
79951  )
79952  e_2_2_1 = zetb*( c1*e_1_2_0 &
79953  +c3*e_2_2_0&
79954 
79955  )
79956  e_3_2_1 = zetb*( c1*e_2_2_0 &
79957 
79958 
79959  )
79960  e_0_1_1 = zeta*( &
79961  +c2*e_0_0_1&
79962  +2*e_1_0_1 &
79963  )
79964  e_0_0_2 = zetb*( &
79965  +c3*e_0_0_1&
79966  +2*e_1_0_1 &
79967  -2*e_0_0_0)
79968  e_1_1_1 = zeta*( c1*e_0_0_1 &
79969  +c2*e_1_0_1&
79970 
79971  )
79972  e_1_0_2 = zetb*( c1*e_0_0_1 &
79973  +c3*e_1_0_1&
79974 
79975  )
79976  e_2_1_1 = zeta*( c1*e_1_0_1 &
79977 
79978 
79979  )
79980  e_2_0_2 = zetb*( c1*e_1_0_1 &
79981 
79982 
79983  )
79984  e_0_2_1 = zeta*( &
79985  +c2*e_0_1_1&
79986  +2*e_1_1_1 &
79987  -2*e_0_0_1)
79988  e_0_1_2 = zetb*( &
79989  +c3*e_0_1_1&
79990  +2*e_1_1_1 &
79991  -2*e_0_1_0)
79992  e_1_2_1 = zeta*( c1*e_0_1_1 &
79993  +c2*e_1_1_1&
79994  +4*e_2_1_1 &
79995  -2*e_1_0_1)
79996  e_1_1_2 = zetb*( c1*e_0_1_1 &
79997  +c3*e_1_1_1&
79998  +4*e_2_1_1 &
79999  -2*e_1_1_0)
80000  e_2_2_1 = zeta*( c1*e_1_1_1 &
80001  +c2*e_2_1_1&
80002 
80003  )
80004  e_2_1_2 = zetb*( c1*e_1_1_1 &
80005  +c3*e_2_1_1&
80006 
80007  )
80008  e_3_2_1 = zeta*( c1*e_2_1_1 &
80009 
80010 
80011  )
80012  e_3_1_2 = zetb*( c1*e_2_1_1 &
80013 
80014 
80015  )
80016  e_0_2_2 = zetb*( &
80017  +c3*e_0_2_1&
80018  +2*e_1_2_1 &
80019  -2*e_0_2_0)
80020  e_1_2_2 = zetb*( c1*e_0_2_1 &
80021  +c3*e_1_2_1&
80022  +4*e_2_2_1 &
80023  -2*e_1_2_0)
80024  e_2_2_2 = zetb*( c1*e_1_2_1 &
80025  +c3*e_2_2_1&
80026  +6*e_3_2_1 &
80027  -2*e_2_2_0)
80028  e_3_2_2 = zetb*( c1*e_2_2_1 &
80029  +c3*e_3_2_1&
80030 
80031  )
80032  e_4_2_2 = zetb*( c1*e_3_2_1 &
80033 
80034 
80035  )
80036  e_0_1_2 = zeta*( &
80037  +c2*e_0_0_2&
80038  +2*e_1_0_2 &
80039  )
80040  e_0_0_3 = zetb*( &
80041  +c3*e_0_0_2&
80042  +2*e_1_0_2 &
80043  -4*e_0_0_1)
80044  e_1_1_2 = zeta*( c1*e_0_0_2 &
80045  +c2*e_1_0_2&
80046  +4*e_2_0_2 &
80047  )
80048  e_1_0_3 = zetb*( c1*e_0_0_2 &
80049  +c3*e_1_0_2&
80050  +4*e_2_0_2 &
80051  -4*e_1_0_1)
80052  e_2_1_2 = zeta*( c1*e_1_0_2 &
80053  +c2*e_2_0_2&
80054 
80055  )
80056  e_2_0_3 = zetb*( c1*e_1_0_2 &
80057  +c3*e_2_0_2&
80058 
80059  )
80060  e_3_1_2 = zeta*( c1*e_2_0_2 &
80061 
80062 
80063  )
80064  e_3_0_3 = zetb*( c1*e_2_0_2 &
80065 
80066 
80067  )
80068  e_0_2_2 = zeta*( &
80069  +c2*e_0_1_2&
80070  +2*e_1_1_2 &
80071  -2*e_0_0_2)
80072  e_0_1_3 = zetb*( &
80073  +c3*e_0_1_2&
80074  +2*e_1_1_2 &
80075  -4*e_0_1_1)
80076  e_1_2_2 = zeta*( c1*e_0_1_2 &
80077  +c2*e_1_1_2&
80078  +4*e_2_1_2 &
80079  -2*e_1_0_2)
80080  e_1_1_3 = zetb*( c1*e_0_1_2 &
80081  +c3*e_1_1_2&
80082  +4*e_2_1_2 &
80083  -4*e_1_1_1)
80084  e_2_2_2 = zeta*( c1*e_1_1_2 &
80085  +c2*e_2_1_2&
80086  +6*e_3_1_2 &
80087  -2*e_2_0_2)
80088  e_2_1_3 = zetb*( c1*e_1_1_2 &
80089  +c3*e_2_1_2&
80090  +6*e_3_1_2 &
80091  -4*e_2_1_1)
80092  e_3_2_2 = zeta*( c1*e_2_1_2 &
80093  +c2*e_3_1_2&
80094 
80095  )
80096  e_3_1_3 = zetb*( c1*e_2_1_2 &
80097  +c3*e_3_1_2&
80098 
80099  )
80100  e_4_2_2 = zeta*( c1*e_3_1_2 &
80101 
80102 
80103  )
80104  e_4_1_3 = zetb*( c1*e_3_1_2 &
80105 
80106 
80107  )
80108  e_0_2_3 = zetb*( &
80109  +c3*e_0_2_2&
80110  +2*e_1_2_2 &
80111  -4*e_0_2_1)
80112  e_1_2_3 = zetb*( c1*e_0_2_2 &
80113  +c3*e_1_2_2&
80114  +4*e_2_2_2 &
80115  -4*e_1_2_1)
80116  e_2_2_3 = zetb*( c1*e_1_2_2 &
80117  +c3*e_2_2_2&
80118  +6*e_3_2_2 &
80119  -4*e_2_2_1)
80120  e_3_2_3 = zetb*( c1*e_2_2_2 &
80121  +c3*e_3_2_2&
80122  +8*e_4_2_2 &
80123  -4*e_3_2_1)
80124  e_4_2_3 = zetb*( c1*e_3_2_2 &
80125  +c3*e_4_2_2&
80126 
80127  )
80128  e_5_2_3 = zetb*( c1*e_4_2_2 &
80129 
80130 
80131  )
80132  e_0_1_3 = zeta*( &
80133  +c2*e_0_0_3&
80134  +2*e_1_0_3 &
80135  )
80136  e_0_0_4 = zetb*( &
80137  +c3*e_0_0_3&
80138  +2*e_1_0_3 &
80139  -6*e_0_0_2)
80140  e_1_1_3 = zeta*( c1*e_0_0_3 &
80141  +c2*e_1_0_3&
80142  +4*e_2_0_3 &
80143  )
80144  e_1_0_4 = zetb*( c1*e_0_0_3 &
80145  +c3*e_1_0_3&
80146  +4*e_2_0_3 &
80147  -6*e_1_0_2)
80148  e_2_1_3 = zeta*( c1*e_1_0_3 &
80149  +c2*e_2_0_3&
80150  +6*e_3_0_3 &
80151  )
80152  e_2_0_4 = zetb*( c1*e_1_0_3 &
80153  +c3*e_2_0_3&
80154  +6*e_3_0_3 &
80155  -6*e_2_0_2)
80156  e_3_1_3 = zeta*( c1*e_2_0_3 &
80157  +c2*e_3_0_3&
80158 
80159  )
80160  e_3_0_4 = zetb*( c1*e_2_0_3 &
80161  +c3*e_3_0_3&
80162 
80163  )
80164  e_4_1_3 = zeta*( c1*e_3_0_3 &
80165 
80166 
80167  )
80168  e_4_0_4 = zetb*( c1*e_3_0_3 &
80169 
80170 
80171  )
80172  e_0_2_3 = zeta*( &
80173  +c2*e_0_1_3&
80174  +2*e_1_1_3 &
80175  -2*e_0_0_3)
80176  e_0_1_4 = zetb*( &
80177  +c3*e_0_1_3&
80178  +2*e_1_1_3 &
80179  -6*e_0_1_2)
80180  e_1_2_3 = zeta*( c1*e_0_1_3 &
80181  +c2*e_1_1_3&
80182  +4*e_2_1_3 &
80183  -2*e_1_0_3)
80184  e_1_1_4 = zetb*( c1*e_0_1_3 &
80185  +c3*e_1_1_3&
80186  +4*e_2_1_3 &
80187  -6*e_1_1_2)
80188  e_2_2_3 = zeta*( c1*e_1_1_3 &
80189  +c2*e_2_1_3&
80190  +6*e_3_1_3 &
80191  -2*e_2_0_3)
80192  e_2_1_4 = zetb*( c1*e_1_1_3 &
80193  +c3*e_2_1_3&
80194  +6*e_3_1_3 &
80195  -6*e_2_1_2)
80196  e_3_2_3 = zeta*( c1*e_2_1_3 &
80197  +c2*e_3_1_3&
80198  +8*e_4_1_3 &
80199  -2*e_3_0_3)
80200  e_3_1_4 = zetb*( c1*e_2_1_3 &
80201  +c3*e_3_1_3&
80202  +8*e_4_1_3 &
80203  -6*e_3_1_2)
80204  e_4_2_3 = zeta*( c1*e_3_1_3 &
80205  +c2*e_4_1_3&
80206 
80207  )
80208  e_4_1_4 = zetb*( c1*e_3_1_3 &
80209  +c3*e_4_1_3&
80210 
80211  )
80212  e_5_2_3 = zeta*( c1*e_4_1_3 &
80213 
80214 
80215  )
80216  e_5_1_4 = zetb*( c1*e_4_1_3 &
80217 
80218 
80219  )
80220  e_0_2_4 = zetb*( &
80221  +c3*e_0_2_3&
80222  +2*e_1_2_3 &
80223  -6*e_0_2_2)
80224  e_1_2_4 = zetb*( c1*e_0_2_3 &
80225  +c3*e_1_2_3&
80226  +4*e_2_2_3 &
80227  -6*e_1_2_2)
80228  e_2_2_4 = zetb*( c1*e_1_2_3 &
80229  +c3*e_2_2_3&
80230  +6*e_3_2_3 &
80231  -6*e_2_2_2)
80232  e_3_2_4 = zetb*( c1*e_2_2_3 &
80233  +c3*e_3_2_3&
80234  +8*e_4_2_3 &
80235  -6*e_3_2_2)
80236  e_4_2_4 = zetb*( c1*e_3_2_3 &
80237  +c3*e_4_2_3&
80238  +10*e_5_2_3 &
80239  -6*e_4_2_2)
80240  e_5_2_4 = zetb*( c1*e_4_2_3 &
80241  +c3*e_5_2_3&
80242 
80243  )
80244  e_6_2_4 = zetb*( c1*e_5_2_3 &
80245 
80246 
80247  )
80248  e_0_1_4 = zeta*( &
80249  +c2*e_0_0_4&
80250  +2*e_1_0_4 &
80251  )
80252  e_1_1_4 = zeta*( c1*e_0_0_4 &
80253  +c2*e_1_0_4&
80254  +4*e_2_0_4 &
80255  )
80256  e_2_1_4 = zeta*( c1*e_1_0_4 &
80257  +c2*e_2_0_4&
80258  +6*e_3_0_4 &
80259  )
80260  e_3_1_4 = zeta*( c1*e_2_0_4 &
80261  +c2*e_3_0_4&
80262  +8*e_4_0_4 &
80263  )
80264  e_4_1_4 = zeta*( c1*e_3_0_4 &
80265  +c2*e_4_0_4&
80266 
80267  )
80268  e_5_1_4 = zeta*( c1*e_4_0_4 &
80269 
80270 
80271  )
80272  e_0_2_4 = zeta*( &
80273  +c2*e_0_1_4&
80274  +2*e_1_1_4 &
80275  -2*e_0_0_4)
80276  e_1_2_4 = zeta*( c1*e_0_1_4 &
80277  +c2*e_1_1_4&
80278  +4*e_2_1_4 &
80279  -2*e_1_0_4)
80280  e_2_2_4 = zeta*( c1*e_1_1_4 &
80281  +c2*e_2_1_4&
80282  +6*e_3_1_4 &
80283  -2*e_2_0_4)
80284  e_3_2_4 = zeta*( c1*e_2_1_4 &
80285  +c2*e_3_1_4&
80286  +8*e_4_1_4 &
80287  -2*e_3_0_4)
80288  e_4_2_4 = zeta*( c1*e_3_1_4 &
80289  +c2*e_4_1_4&
80290  +10*e_5_1_4 &
80291  -2*e_4_0_4)
80292  e_5_2_4 = zeta*( c1*e_4_1_4 &
80293  +c2*e_5_1_4&
80294 
80295  )
80296  e_6_2_4 = zeta*( c1*e_5_1_4 &
80297 
80298 
80299  )
80300 
80301  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
80302  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
80303  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
80304  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
80305  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
80306  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
80307  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
80308  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
80309  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
80310  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
80311  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
80312  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
80313  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
80314  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
80315  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
80316  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
80317  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
80318  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
80319  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
80320  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
80321  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
80322  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
80323  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
80324  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
80325  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
80326  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
80327  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
80328  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
80329  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
80330  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
80331  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
80332  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
80333  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
80334  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
80335  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
80336  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
80337  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
80338  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
80339  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
80340  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
80341  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
80342  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
80343  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
80344  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
80345  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
80346  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
80347  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
80348  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
80349  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
80350  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
80351  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
80352  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
80353  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
80354  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
80355  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
80356  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
80357  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
80358  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
80359  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
80360  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
80361  r1 = r1 + dr
80362  END DO
80363 
80364  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
80365  END SUBROUTINE
80366  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_4_1_exp_1 ( &
80367  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
80368  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
80369  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
80370  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
80371  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
80372  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
80373  r_pow_t, r_tmp, rr1_delta, rr2_delta
80374 
80375  REAL(kind=dp) :: c1, c2, c3
80376  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
80377  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
80378  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
80379  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
80380  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
80381  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
80382  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
80383  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
80384  & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
80385  & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4,&
80386  & e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4, e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4
80387 
80388  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
80389 
80390  dr = lgth
80391  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
80392 
80393  s_r(:, :, :) = 0.0_dp
80394 
80395  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
80396 
80397  h_to_c_0_0 = sqrt(alpha/pi)
80398 
80399  h_to_c_0_1 = 0.0_dp
80400  h_to_c_1_1 = +2*alpha*h_to_c_0_0
80401  h_to_c_0_2 = -1*h_to_c_1_1
80402  h_to_c_1_2 = +2*alpha*h_to_c_0_1
80403  h_to_c_2_2 = +2*alpha*h_to_c_1_1
80404  h_to_c_0_3 = -1*h_to_c_1_2
80405  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
80406  h_to_c_2_3 = +2*alpha*h_to_c_1_2
80407  h_to_c_3_3 = +2*alpha*h_to_c_2_2
80408  h_to_c_0_4 = -1*h_to_c_1_3
80409  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
80410  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
80411  h_to_c_3_4 = +2*alpha*h_to_c_2_3
80412  h_to_c_4_4 = +2*alpha*h_to_c_3_3
80413  h_to_c_0_5 = -1*h_to_c_1_4
80414  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
80415  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
80416  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
80417  h_to_c_4_5 = +2*alpha*h_to_c_3_4
80418  h_to_c_5_5 = +2*alpha*h_to_c_4_4
80419  h_to_c_0_6 = -1*h_to_c_1_5
80420  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
80421  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
80422  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
80423  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
80424  h_to_c_5_6 = +2*alpha*h_to_c_4_5
80425  h_to_c_6_6 = +2*alpha*h_to_c_5_5
80426  h_to_c_0_7 = -1*h_to_c_1_6
80427  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
80428  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
80429  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
80430  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
80431  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
80432  h_to_c_6_7 = +2*alpha*h_to_c_5_6
80433  h_to_c_7_7 = +2*alpha*h_to_c_6_6
80434 
80435  exp_drsq = exp(-alpha*dr*dr)
80436  exp_2drsq = exp_drsq*exp_drsq
80437 
80438  rr1_delta = (ra - rb)/dr
80439 
80440  rr1_l = ceiling(-r_c(1) + rr1_delta)
80441  rr1_r = floor(r_c(1) + rr1_delta)
80442 
80443  r1 = rr1_l*dr
80444 
80445  alpha_e = zeta*zetb/(zeta + zetb)
80446 
80447  DO rr1 = rr1_l, rr1_r
80448  s_r_t_0 = 0.0_dp
80449  s_r_t2_0 = 0.0_dp
80450  s_r_t_1 = 0.0_dp
80451  s_r_t2_1 = 0.0_dp
80452  s_r_t_2 = 0.0_dp
80453  s_r_t2_2 = 0.0_dp
80454  s_r_t_3 = 0.0_dp
80455  s_r_t2_3 = 0.0_dp
80456  s_r_t_4 = 0.0_dp
80457  s_r_t2_4 = 0.0_dp
80458  s_r_t_5 = 0.0_dp
80459  s_r_t2_5 = 0.0_dp
80460  s_r_t_6 = 0.0_dp
80461  s_r_t2_6 = 0.0_dp
80462  s_r_t_7 = 0.0_dp
80463  s_r_t2_7 = 0.0_dp
80464  r_tmp = r_offset + r1*zeta/(zeta + zetb)
80465  rr2_delta = -r_tmp/dr
80466 
80467  rr2_l = ceiling(-r_c(2) + rr2_delta)
80468  rr2_r = floor(r_c(2) + rr2_delta)
80469 
80470  r = r_tmp + (rr2_l)*dr
80471 
80472  exp2_2rdr = exp(-2*alpha*r*dr)
80473  exp2_rsq = exp(-alpha*r*r)
80474 
80475  DO rr2 = rr2_l, rr2_r
80476  r_pow_t = 1.0_dp
80477  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
80478  r_pow_t = r_pow_t*r
80479  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
80480  r_pow_t = r_pow_t*r
80481  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
80482  r_pow_t = r_pow_t*r
80483  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
80484  r_pow_t = r_pow_t*r
80485  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
80486  r_pow_t = r_pow_t*r
80487  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
80488  r_pow_t = r_pow_t*r
80489  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
80490  r_pow_t = r_pow_t*r
80491  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
80492 
80493  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
80494  exp2_2rdr = exp2_2rdr*exp_2drsq
80495  r = r + dr
80496  END DO
80497 
80498  ! C --> H
80499  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
80500  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
80501  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
80502  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
80503  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
80504  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
80505  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
80506  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
80507  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
80508  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
80509  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
80510  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
80511  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
80512  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
80513  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
80514  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
80515  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
80516  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
80517  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
80518  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
80519  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
80520  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
80521  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
80522  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
80523  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
80524  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
80525  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
80526  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
80527  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
80528  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
80529  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
80530  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
80531  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
80532  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
80533  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
80534  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
80535 
80536  ! H --> HH
80537  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
80538 
80539  c1 = 1.0_dp/(zeta + zetb)
80540  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
80541  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
80542 
80543  e_0_1_0 = zeta*( &
80544  +c2*e_0_0_0&
80545 
80546  )
80547  e_0_0_1 = zetb*( &
80548  +c3*e_0_0_0&
80549 
80550  )
80551  e_1_1_0 = zeta*( c1*e_0_0_0 &
80552 
80553 
80554  )
80555  e_1_0_1 = zetb*( c1*e_0_0_0 &
80556 
80557 
80558  )
80559  e_0_2_0 = zeta*( &
80560  +c2*e_0_1_0&
80561  +2*e_1_1_0 &
80562  -2*e_0_0_0)
80563  e_0_1_1 = zetb*( &
80564  +c3*e_0_1_0&
80565  +2*e_1_1_0 &
80566  )
80567  e_1_2_0 = zeta*( c1*e_0_1_0 &
80568  +c2*e_1_1_0&
80569 
80570  )
80571  e_1_1_1 = zetb*( c1*e_0_1_0 &
80572  +c3*e_1_1_0&
80573 
80574  )
80575  e_2_2_0 = zeta*( c1*e_1_1_0 &
80576 
80577 
80578  )
80579  e_2_1_1 = zetb*( c1*e_1_1_0 &
80580 
80581 
80582  )
80583  e_0_2_1 = zetb*( &
80584  +c3*e_0_2_0&
80585  +2*e_1_2_0 &
80586  )
80587  e_1_2_1 = zetb*( c1*e_0_2_0 &
80588  +c3*e_1_2_0&
80589  +4*e_2_2_0 &
80590  )
80591  e_2_2_1 = zetb*( c1*e_1_2_0 &
80592  +c3*e_2_2_0&
80593 
80594  )
80595  e_3_2_1 = zetb*( c1*e_2_2_0 &
80596 
80597 
80598  )
80599  e_0_1_1 = zeta*( &
80600  +c2*e_0_0_1&
80601  +2*e_1_0_1 &
80602  )
80603  e_0_0_2 = zetb*( &
80604  +c3*e_0_0_1&
80605  +2*e_1_0_1 &
80606  -2*e_0_0_0)
80607  e_1_1_1 = zeta*( c1*e_0_0_1 &
80608  +c2*e_1_0_1&
80609 
80610  )
80611  e_1_0_2 = zetb*( c1*e_0_0_1 &
80612  +c3*e_1_0_1&
80613 
80614  )
80615  e_2_1_1 = zeta*( c1*e_1_0_1 &
80616 
80617 
80618  )
80619  e_2_0_2 = zetb*( c1*e_1_0_1 &
80620 
80621 
80622  )
80623  e_0_2_1 = zeta*( &
80624  +c2*e_0_1_1&
80625  +2*e_1_1_1 &
80626  -2*e_0_0_1)
80627  e_0_1_2 = zetb*( &
80628  +c3*e_0_1_1&
80629  +2*e_1_1_1 &
80630  -2*e_0_1_0)
80631  e_1_2_1 = zeta*( c1*e_0_1_1 &
80632  +c2*e_1_1_1&
80633  +4*e_2_1_1 &
80634  -2*e_1_0_1)
80635  e_1_1_2 = zetb*( c1*e_0_1_1 &
80636  +c3*e_1_1_1&
80637  +4*e_2_1_1 &
80638  -2*e_1_1_0)
80639  e_2_2_1 = zeta*( c1*e_1_1_1 &
80640  +c2*e_2_1_1&
80641 
80642  )
80643  e_2_1_2 = zetb*( c1*e_1_1_1 &
80644  +c3*e_2_1_1&
80645 
80646  )
80647  e_3_2_1 = zeta*( c1*e_2_1_1 &
80648 
80649 
80650  )
80651  e_3_1_2 = zetb*( c1*e_2_1_1 &
80652 
80653 
80654  )
80655  e_0_2_2 = zetb*( &
80656  +c3*e_0_2_1&
80657  +2*e_1_2_1 &
80658  -2*e_0_2_0)
80659  e_1_2_2 = zetb*( c1*e_0_2_1 &
80660  +c3*e_1_2_1&
80661  +4*e_2_2_1 &
80662  -2*e_1_2_0)
80663  e_2_2_2 = zetb*( c1*e_1_2_1 &
80664  +c3*e_2_2_1&
80665  +6*e_3_2_1 &
80666  -2*e_2_2_0)
80667  e_3_2_2 = zetb*( c1*e_2_2_1 &
80668  +c3*e_3_2_1&
80669 
80670  )
80671  e_4_2_2 = zetb*( c1*e_3_2_1 &
80672 
80673 
80674  )
80675  e_0_1_2 = zeta*( &
80676  +c2*e_0_0_2&
80677  +2*e_1_0_2 &
80678  )
80679  e_0_0_3 = zetb*( &
80680  +c3*e_0_0_2&
80681  +2*e_1_0_2 &
80682  -4*e_0_0_1)
80683  e_1_1_2 = zeta*( c1*e_0_0_2 &
80684  +c2*e_1_0_2&
80685  +4*e_2_0_2 &
80686  )
80687  e_1_0_3 = zetb*( c1*e_0_0_2 &
80688  +c3*e_1_0_2&
80689  +4*e_2_0_2 &
80690  -4*e_1_0_1)
80691  e_2_1_2 = zeta*( c1*e_1_0_2 &
80692  +c2*e_2_0_2&
80693 
80694  )
80695  e_2_0_3 = zetb*( c1*e_1_0_2 &
80696  +c3*e_2_0_2&
80697 
80698  )
80699  e_3_1_2 = zeta*( c1*e_2_0_2 &
80700 
80701 
80702  )
80703  e_3_0_3 = zetb*( c1*e_2_0_2 &
80704 
80705 
80706  )
80707  e_0_2_2 = zeta*( &
80708  +c2*e_0_1_2&
80709  +2*e_1_1_2 &
80710  -2*e_0_0_2)
80711  e_0_1_3 = zetb*( &
80712  +c3*e_0_1_2&
80713  +2*e_1_1_2 &
80714  -4*e_0_1_1)
80715  e_1_2_2 = zeta*( c1*e_0_1_2 &
80716  +c2*e_1_1_2&
80717  +4*e_2_1_2 &
80718  -2*e_1_0_2)
80719  e_1_1_3 = zetb*( c1*e_0_1_2 &
80720  +c3*e_1_1_2&
80721  +4*e_2_1_2 &
80722  -4*e_1_1_1)
80723  e_2_2_2 = zeta*( c1*e_1_1_2 &
80724  +c2*e_2_1_2&
80725  +6*e_3_1_2 &
80726  -2*e_2_0_2)
80727  e_2_1_3 = zetb*( c1*e_1_1_2 &
80728  +c3*e_2_1_2&
80729  +6*e_3_1_2 &
80730  -4*e_2_1_1)
80731  e_3_2_2 = zeta*( c1*e_2_1_2 &
80732  +c2*e_3_1_2&
80733 
80734  )
80735  e_3_1_3 = zetb*( c1*e_2_1_2 &
80736  +c3*e_3_1_2&
80737 
80738  )
80739  e_4_2_2 = zeta*( c1*e_3_1_2 &
80740 
80741 
80742  )
80743  e_4_1_3 = zetb*( c1*e_3_1_2 &
80744 
80745 
80746  )
80747  e_0_2_3 = zetb*( &
80748  +c3*e_0_2_2&
80749  +2*e_1_2_2 &
80750  -4*e_0_2_1)
80751  e_1_2_3 = zetb*( c1*e_0_2_2 &
80752  +c3*e_1_2_2&
80753  +4*e_2_2_2 &
80754  -4*e_1_2_1)
80755  e_2_2_3 = zetb*( c1*e_1_2_2 &
80756  +c3*e_2_2_2&
80757  +6*e_3_2_2 &
80758  -4*e_2_2_1)
80759  e_3_2_3 = zetb*( c1*e_2_2_2 &
80760  +c3*e_3_2_2&
80761  +8*e_4_2_2 &
80762  -4*e_3_2_1)
80763  e_4_2_3 = zetb*( c1*e_3_2_2 &
80764  +c3*e_4_2_2&
80765 
80766  )
80767  e_5_2_3 = zetb*( c1*e_4_2_2 &
80768 
80769 
80770  )
80771  e_0_1_3 = zeta*( &
80772  +c2*e_0_0_3&
80773  +2*e_1_0_3 &
80774  )
80775  e_0_0_4 = zetb*( &
80776  +c3*e_0_0_3&
80777  +2*e_1_0_3 &
80778  -6*e_0_0_2)
80779  e_1_1_3 = zeta*( c1*e_0_0_3 &
80780  +c2*e_1_0_3&
80781  +4*e_2_0_3 &
80782  )
80783  e_1_0_4 = zetb*( c1*e_0_0_3 &
80784  +c3*e_1_0_3&
80785  +4*e_2_0_3 &
80786  -6*e_1_0_2)
80787  e_2_1_3 = zeta*( c1*e_1_0_3 &
80788  +c2*e_2_0_3&
80789  +6*e_3_0_3 &
80790  )
80791  e_2_0_4 = zetb*( c1*e_1_0_3 &
80792  +c3*e_2_0_3&
80793  +6*e_3_0_3 &
80794  -6*e_2_0_2)
80795  e_3_1_3 = zeta*( c1*e_2_0_3 &
80796  +c2*e_3_0_3&
80797 
80798  )
80799  e_3_0_4 = zetb*( c1*e_2_0_3 &
80800  +c3*e_3_0_3&
80801 
80802  )
80803  e_4_1_3 = zeta*( c1*e_3_0_3 &
80804 
80805 
80806  )
80807  e_4_0_4 = zetb*( c1*e_3_0_3 &
80808 
80809 
80810  )
80811  e_0_2_3 = zeta*( &
80812  +c2*e_0_1_3&
80813  +2*e_1_1_3 &
80814  -2*e_0_0_3)
80815  e_0_1_4 = zetb*( &
80816  +c3*e_0_1_3&
80817  +2*e_1_1_3 &
80818  -6*e_0_1_2)
80819  e_1_2_3 = zeta*( c1*e_0_1_3 &
80820  +c2*e_1_1_3&
80821  +4*e_2_1_3 &
80822  -2*e_1_0_3)
80823  e_1_1_4 = zetb*( c1*e_0_1_3 &
80824  +c3*e_1_1_3&
80825  +4*e_2_1_3 &
80826  -6*e_1_1_2)
80827  e_2_2_3 = zeta*( c1*e_1_1_3 &
80828  +c2*e_2_1_3&
80829  +6*e_3_1_3 &
80830  -2*e_2_0_3)
80831  e_2_1_4 = zetb*( c1*e_1_1_3 &
80832  +c3*e_2_1_3&
80833  +6*e_3_1_3 &
80834  -6*e_2_1_2)
80835  e_3_2_3 = zeta*( c1*e_2_1_3 &
80836  +c2*e_3_1_3&
80837  +8*e_4_1_3 &
80838  -2*e_3_0_3)
80839  e_3_1_4 = zetb*( c1*e_2_1_3 &
80840  +c3*e_3_1_3&
80841  +8*e_4_1_3 &
80842  -6*e_3_1_2)
80843  e_4_2_3 = zeta*( c1*e_3_1_3 &
80844  +c2*e_4_1_3&
80845 
80846  )
80847  e_4_1_4 = zetb*( c1*e_3_1_3 &
80848  +c3*e_4_1_3&
80849 
80850  )
80851  e_5_2_3 = zeta*( c1*e_4_1_3 &
80852 
80853 
80854  )
80855  e_5_1_4 = zetb*( c1*e_4_1_3 &
80856 
80857 
80858  )
80859  e_0_2_4 = zetb*( &
80860  +c3*e_0_2_3&
80861  +2*e_1_2_3 &
80862  -6*e_0_2_2)
80863  e_1_2_4 = zetb*( c1*e_0_2_3 &
80864  +c3*e_1_2_3&
80865  +4*e_2_2_3 &
80866  -6*e_1_2_2)
80867  e_2_2_4 = zetb*( c1*e_1_2_3 &
80868  +c3*e_2_2_3&
80869  +6*e_3_2_3 &
80870  -6*e_2_2_2)
80871  e_3_2_4 = zetb*( c1*e_2_2_3 &
80872  +c3*e_3_2_3&
80873  +8*e_4_2_3 &
80874  -6*e_3_2_2)
80875  e_4_2_4 = zetb*( c1*e_3_2_3 &
80876  +c3*e_4_2_3&
80877  +10*e_5_2_3 &
80878  -6*e_4_2_2)
80879  e_5_2_4 = zetb*( c1*e_4_2_3 &
80880  +c3*e_5_2_3&
80881 
80882  )
80883  e_6_2_4 = zetb*( c1*e_5_2_3 &
80884 
80885 
80886  )
80887  e_0_1_4 = zeta*( &
80888  +c2*e_0_0_4&
80889  +2*e_1_0_4 &
80890  )
80891  e_1_1_4 = zeta*( c1*e_0_0_4 &
80892  +c2*e_1_0_4&
80893  +4*e_2_0_4 &
80894  )
80895  e_2_1_4 = zeta*( c1*e_1_0_4 &
80896  +c2*e_2_0_4&
80897  +6*e_3_0_4 &
80898  )
80899  e_3_1_4 = zeta*( c1*e_2_0_4 &
80900  +c2*e_3_0_4&
80901  +8*e_4_0_4 &
80902  )
80903  e_4_1_4 = zeta*( c1*e_3_0_4 &
80904  +c2*e_4_0_4&
80905 
80906  )
80907  e_5_1_4 = zeta*( c1*e_4_0_4 &
80908 
80909 
80910  )
80911  e_0_2_4 = zeta*( &
80912  +c2*e_0_1_4&
80913  +2*e_1_1_4 &
80914  -2*e_0_0_4)
80915  e_1_2_4 = zeta*( c1*e_0_1_4 &
80916  +c2*e_1_1_4&
80917  +4*e_2_1_4 &
80918  -2*e_1_0_4)
80919  e_2_2_4 = zeta*( c1*e_1_1_4 &
80920  +c2*e_2_1_4&
80921  +6*e_3_1_4 &
80922  -2*e_2_0_4)
80923  e_3_2_4 = zeta*( c1*e_2_1_4 &
80924  +c2*e_3_1_4&
80925  +8*e_4_1_4 &
80926  -2*e_3_0_4)
80927  e_4_2_4 = zeta*( c1*e_3_1_4 &
80928  +c2*e_4_1_4&
80929  +10*e_5_1_4 &
80930  -2*e_4_0_4)
80931  e_5_2_4 = zeta*( c1*e_4_1_4 &
80932  +c2*e_5_1_4&
80933 
80934  )
80935  e_6_2_4 = zeta*( c1*e_5_1_4 &
80936 
80937 
80938  )
80939 
80940  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
80941  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
80942  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
80943  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
80944  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
80945  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
80946  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
80947  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
80948  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
80949  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
80950  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
80951  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
80952  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
80953  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
80954  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
80955  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
80956  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
80957  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
80958  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
80959  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
80960  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
80961  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
80962  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
80963  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
80964  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
80965  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
80966  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
80967  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
80968  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
80969  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
80970  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
80971  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
80972  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
80973  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
80974  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
80975  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
80976  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
80977  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
80978  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
80979  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
80980  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
80981  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
80982  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
80983  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
80984  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
80985  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
80986  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
80987  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
80988  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
80989  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
80990  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
80991  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
80992  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
80993  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
80994  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
80995  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
80996  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
80997  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
80998  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
80999  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
81000  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
81001  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
81002  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
81003  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
81004  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
81005  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
81006  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
81007  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
81008  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
81009  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
81010  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
81011  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
81012  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
81013  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
81014  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
81015  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
81016  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
81017  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
81018  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
81019  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
81020  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
81021  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
81022  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
81023  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
81024  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
81025  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
81026  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
81027  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
81028  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
81029  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
81030  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
81031  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
81032  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
81033  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
81034  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
81035  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
81036  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
81037  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
81038  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
81039  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
81040  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
81041  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
81042  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
81043  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
81044  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
81045  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
81046  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
81047  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
81048  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
81049  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
81050  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
81051  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
81052  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
81053  s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
81054  s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
81055  s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
81056  s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
81057  s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
81058  s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
81059  s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
81060  r1 = r1 + dr
81061  END DO
81062 
81063  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
81064  END SUBROUTINE
81065  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_4_2_exp_1 ( &
81066  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
81067  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
81068  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
81069  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
81070  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
81071  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
81072  r_pow_t, r_tmp, rr1_delta, rr2_delta
81073 
81074  REAL(kind=dp) :: c1, c2, c3
81075  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
81076  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
81077  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
81078  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
81079  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
81080  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
81081  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
81082  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
81083  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
81084  & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
81085  & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4,&
81086  & e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4, e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4
81087 
81088  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
81089 
81090  dr = lgth
81091  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
81092 
81093  s_r(:, :, :) = 0.0_dp
81094 
81095  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
81096 
81097  h_to_c_0_0 = sqrt(alpha/pi)
81098 
81099  h_to_c_0_1 = 0.0_dp
81100  h_to_c_1_1 = +2*alpha*h_to_c_0_0
81101  h_to_c_0_2 = -1*h_to_c_1_1
81102  h_to_c_1_2 = +2*alpha*h_to_c_0_1
81103  h_to_c_2_2 = +2*alpha*h_to_c_1_1
81104  h_to_c_0_3 = -1*h_to_c_1_2
81105  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
81106  h_to_c_2_3 = +2*alpha*h_to_c_1_2
81107  h_to_c_3_3 = +2*alpha*h_to_c_2_2
81108  h_to_c_0_4 = -1*h_to_c_1_3
81109  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
81110  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
81111  h_to_c_3_4 = +2*alpha*h_to_c_2_3
81112  h_to_c_4_4 = +2*alpha*h_to_c_3_3
81113  h_to_c_0_5 = -1*h_to_c_1_4
81114  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
81115  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
81116  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
81117  h_to_c_4_5 = +2*alpha*h_to_c_3_4
81118  h_to_c_5_5 = +2*alpha*h_to_c_4_4
81119  h_to_c_0_6 = -1*h_to_c_1_5
81120  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
81121  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
81122  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
81123  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
81124  h_to_c_5_6 = +2*alpha*h_to_c_4_5
81125  h_to_c_6_6 = +2*alpha*h_to_c_5_5
81126  h_to_c_0_7 = -1*h_to_c_1_6
81127  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
81128  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
81129  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
81130  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
81131  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
81132  h_to_c_6_7 = +2*alpha*h_to_c_5_6
81133  h_to_c_7_7 = +2*alpha*h_to_c_6_6
81134  h_to_c_0_8 = -1*h_to_c_1_7
81135  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
81136  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
81137  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
81138  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
81139  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
81140  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
81141  h_to_c_7_8 = +2*alpha*h_to_c_6_7
81142  h_to_c_8_8 = +2*alpha*h_to_c_7_7
81143 
81144  exp_drsq = exp(-alpha*dr*dr)
81145  exp_2drsq = exp_drsq*exp_drsq
81146 
81147  rr1_delta = (ra - rb)/dr
81148 
81149  rr1_l = ceiling(-r_c(1) + rr1_delta)
81150  rr1_r = floor(r_c(1) + rr1_delta)
81151 
81152  r1 = rr1_l*dr
81153 
81154  alpha_e = zeta*zetb/(zeta + zetb)
81155 
81156  DO rr1 = rr1_l, rr1_r
81157  s_r_t_0 = 0.0_dp
81158  s_r_t2_0 = 0.0_dp
81159  s_r_t_1 = 0.0_dp
81160  s_r_t2_1 = 0.0_dp
81161  s_r_t_2 = 0.0_dp
81162  s_r_t2_2 = 0.0_dp
81163  s_r_t_3 = 0.0_dp
81164  s_r_t2_3 = 0.0_dp
81165  s_r_t_4 = 0.0_dp
81166  s_r_t2_4 = 0.0_dp
81167  s_r_t_5 = 0.0_dp
81168  s_r_t2_5 = 0.0_dp
81169  s_r_t_6 = 0.0_dp
81170  s_r_t2_6 = 0.0_dp
81171  s_r_t_7 = 0.0_dp
81172  s_r_t2_7 = 0.0_dp
81173  s_r_t_8 = 0.0_dp
81174  s_r_t2_8 = 0.0_dp
81175  r_tmp = r_offset + r1*zeta/(zeta + zetb)
81176  rr2_delta = -r_tmp/dr
81177 
81178  rr2_l = ceiling(-r_c(2) + rr2_delta)
81179  rr2_r = floor(r_c(2) + rr2_delta)
81180 
81181  r = r_tmp + (rr2_l)*dr
81182 
81183  exp2_2rdr = exp(-2*alpha*r*dr)
81184  exp2_rsq = exp(-alpha*r*r)
81185 
81186  DO rr2 = rr2_l, rr2_r
81187  r_pow_t = 1.0_dp
81188  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
81189  r_pow_t = r_pow_t*r
81190  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
81191  r_pow_t = r_pow_t*r
81192  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
81193  r_pow_t = r_pow_t*r
81194  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
81195  r_pow_t = r_pow_t*r
81196  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
81197  r_pow_t = r_pow_t*r
81198  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
81199  r_pow_t = r_pow_t*r
81200  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
81201  r_pow_t = r_pow_t*r
81202  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
81203  r_pow_t = r_pow_t*r
81204  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
81205 
81206  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
81207  exp2_2rdr = exp2_2rdr*exp_2drsq
81208  r = r + dr
81209  END DO
81210 
81211  ! C --> H
81212  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
81213  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
81214  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
81215  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
81216  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
81217  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
81218  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
81219  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
81220  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
81221  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
81222  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
81223  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
81224  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
81225  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
81226  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
81227  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
81228  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
81229  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
81230  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
81231  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
81232  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
81233  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
81234  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
81235  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
81236  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
81237  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
81238  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
81239  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
81240  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
81241  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
81242  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
81243  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
81244  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
81245  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
81246  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
81247  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
81248  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
81249  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
81250  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
81251  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
81252  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
81253  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
81254  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
81255  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
81256  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
81257 
81258  ! H --> HH
81259  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
81260 
81261  c1 = 1.0_dp/(zeta + zetb)
81262  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
81263  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
81264 
81265  e_0_1_0 = zeta*( &
81266  +c2*e_0_0_0&
81267 
81268  )
81269  e_0_0_1 = zetb*( &
81270  +c3*e_0_0_0&
81271 
81272  )
81273  e_1_1_0 = zeta*( c1*e_0_0_0 &
81274 
81275 
81276  )
81277  e_1_0_1 = zetb*( c1*e_0_0_0 &
81278 
81279 
81280  )
81281  e_0_2_0 = zeta*( &
81282  +c2*e_0_1_0&
81283  +2*e_1_1_0 &
81284  -2*e_0_0_0)
81285  e_0_1_1 = zetb*( &
81286  +c3*e_0_1_0&
81287  +2*e_1_1_0 &
81288  )
81289  e_1_2_0 = zeta*( c1*e_0_1_0 &
81290  +c2*e_1_1_0&
81291 
81292  )
81293  e_1_1_1 = zetb*( c1*e_0_1_0 &
81294  +c3*e_1_1_0&
81295 
81296  )
81297  e_2_2_0 = zeta*( c1*e_1_1_0 &
81298 
81299 
81300  )
81301  e_2_1_1 = zetb*( c1*e_1_1_0 &
81302 
81303 
81304  )
81305  e_0_2_1 = zetb*( &
81306  +c3*e_0_2_0&
81307  +2*e_1_2_0 &
81308  )
81309  e_1_2_1 = zetb*( c1*e_0_2_0 &
81310  +c3*e_1_2_0&
81311  +4*e_2_2_0 &
81312  )
81313  e_2_2_1 = zetb*( c1*e_1_2_0 &
81314  +c3*e_2_2_0&
81315 
81316  )
81317  e_3_2_1 = zetb*( c1*e_2_2_0 &
81318 
81319 
81320  )
81321  e_0_1_1 = zeta*( &
81322  +c2*e_0_0_1&
81323  +2*e_1_0_1 &
81324  )
81325  e_0_0_2 = zetb*( &
81326  +c3*e_0_0_1&
81327  +2*e_1_0_1 &
81328  -2*e_0_0_0)
81329  e_1_1_1 = zeta*( c1*e_0_0_1 &
81330  +c2*e_1_0_1&
81331 
81332  )
81333  e_1_0_2 = zetb*( c1*e_0_0_1 &
81334  +c3*e_1_0_1&
81335 
81336  )
81337  e_2_1_1 = zeta*( c1*e_1_0_1 &
81338 
81339 
81340  )
81341  e_2_0_2 = zetb*( c1*e_1_0_1 &
81342 
81343 
81344  )
81345  e_0_2_1 = zeta*( &
81346  +c2*e_0_1_1&
81347  +2*e_1_1_1 &
81348  -2*e_0_0_1)
81349  e_0_1_2 = zetb*( &
81350  +c3*e_0_1_1&
81351  +2*e_1_1_1 &
81352  -2*e_0_1_0)
81353  e_1_2_1 = zeta*( c1*e_0_1_1 &
81354  +c2*e_1_1_1&
81355  +4*e_2_1_1 &
81356  -2*e_1_0_1)
81357  e_1_1_2 = zetb*( c1*e_0_1_1 &
81358  +c3*e_1_1_1&
81359  +4*e_2_1_1 &
81360  -2*e_1_1_0)
81361  e_2_2_1 = zeta*( c1*e_1_1_1 &
81362  +c2*e_2_1_1&
81363 
81364  )
81365  e_2_1_2 = zetb*( c1*e_1_1_1 &
81366  +c3*e_2_1_1&
81367 
81368  )
81369  e_3_2_1 = zeta*( c1*e_2_1_1 &
81370 
81371 
81372  )
81373  e_3_1_2 = zetb*( c1*e_2_1_1 &
81374 
81375 
81376  )
81377  e_0_2_2 = zetb*( &
81378  +c3*e_0_2_1&
81379  +2*e_1_2_1 &
81380  -2*e_0_2_0)
81381  e_1_2_2 = zetb*( c1*e_0_2_1 &
81382  +c3*e_1_2_1&
81383  +4*e_2_2_1 &
81384  -2*e_1_2_0)
81385  e_2_2_2 = zetb*( c1*e_1_2_1 &
81386  +c3*e_2_2_1&
81387  +6*e_3_2_1 &
81388  -2*e_2_2_0)
81389  e_3_2_2 = zetb*( c1*e_2_2_1 &
81390  +c3*e_3_2_1&
81391 
81392  )
81393  e_4_2_2 = zetb*( c1*e_3_2_1 &
81394 
81395 
81396  )
81397  e_0_1_2 = zeta*( &
81398  +c2*e_0_0_2&
81399  +2*e_1_0_2 &
81400  )
81401  e_0_0_3 = zetb*( &
81402  +c3*e_0_0_2&
81403  +2*e_1_0_2 &
81404  -4*e_0_0_1)
81405  e_1_1_2 = zeta*( c1*e_0_0_2 &
81406  +c2*e_1_0_2&
81407  +4*e_2_0_2 &
81408  )
81409  e_1_0_3 = zetb*( c1*e_0_0_2 &
81410  +c3*e_1_0_2&
81411  +4*e_2_0_2 &
81412  -4*e_1_0_1)
81413  e_2_1_2 = zeta*( c1*e_1_0_2 &
81414  +c2*e_2_0_2&
81415 
81416  )
81417  e_2_0_3 = zetb*( c1*e_1_0_2 &
81418  +c3*e_2_0_2&
81419 
81420  )
81421  e_3_1_2 = zeta*( c1*e_2_0_2 &
81422 
81423 
81424  )
81425  e_3_0_3 = zetb*( c1*e_2_0_2 &
81426 
81427 
81428  )
81429  e_0_2_2 = zeta*( &
81430  +c2*e_0_1_2&
81431  +2*e_1_1_2 &
81432  -2*e_0_0_2)
81433  e_0_1_3 = zetb*( &
81434  +c3*e_0_1_2&
81435  +2*e_1_1_2 &
81436  -4*e_0_1_1)
81437  e_1_2_2 = zeta*( c1*e_0_1_2 &
81438  +c2*e_1_1_2&
81439  +4*e_2_1_2 &
81440  -2*e_1_0_2)
81441  e_1_1_3 = zetb*( c1*e_0_1_2 &
81442  +c3*e_1_1_2&
81443  +4*e_2_1_2 &
81444  -4*e_1_1_1)
81445  e_2_2_2 = zeta*( c1*e_1_1_2 &
81446  +c2*e_2_1_2&
81447  +6*e_3_1_2 &
81448  -2*e_2_0_2)
81449  e_2_1_3 = zetb*( c1*e_1_1_2 &
81450  +c3*e_2_1_2&
81451  +6*e_3_1_2 &
81452  -4*e_2_1_1)
81453  e_3_2_2 = zeta*( c1*e_2_1_2 &
81454  +c2*e_3_1_2&
81455 
81456  )
81457  e_3_1_3 = zetb*( c1*e_2_1_2 &
81458  +c3*e_3_1_2&
81459 
81460  )
81461  e_4_2_2 = zeta*( c1*e_3_1_2 &
81462 
81463 
81464  )
81465  e_4_1_3 = zetb*( c1*e_3_1_2 &
81466 
81467 
81468  )
81469  e_0_2_3 = zetb*( &
81470  +c3*e_0_2_2&
81471  +2*e_1_2_2 &
81472  -4*e_0_2_1)
81473  e_1_2_3 = zetb*( c1*e_0_2_2 &
81474  +c3*e_1_2_2&
81475  +4*e_2_2_2 &
81476  -4*e_1_2_1)
81477  e_2_2_3 = zetb*( c1*e_1_2_2 &
81478  +c3*e_2_2_2&
81479  +6*e_3_2_2 &
81480  -4*e_2_2_1)
81481  e_3_2_3 = zetb*( c1*e_2_2_2 &
81482  +c3*e_3_2_2&
81483  +8*e_4_2_2 &
81484  -4*e_3_2_1)
81485  e_4_2_3 = zetb*( c1*e_3_2_2 &
81486  +c3*e_4_2_2&
81487 
81488  )
81489  e_5_2_3 = zetb*( c1*e_4_2_2 &
81490 
81491 
81492  )
81493  e_0_1_3 = zeta*( &
81494  +c2*e_0_0_3&
81495  +2*e_1_0_3 &
81496  )
81497  e_0_0_4 = zetb*( &
81498  +c3*e_0_0_3&
81499  +2*e_1_0_3 &
81500  -6*e_0_0_2)
81501  e_1_1_3 = zeta*( c1*e_0_0_3 &
81502  +c2*e_1_0_3&
81503  +4*e_2_0_3 &
81504  )
81505  e_1_0_4 = zetb*( c1*e_0_0_3 &
81506  +c3*e_1_0_3&
81507  +4*e_2_0_3 &
81508  -6*e_1_0_2)
81509  e_2_1_3 = zeta*( c1*e_1_0_3 &
81510  +c2*e_2_0_3&
81511  +6*e_3_0_3 &
81512  )
81513  e_2_0_4 = zetb*( c1*e_1_0_3 &
81514  +c3*e_2_0_3&
81515  +6*e_3_0_3 &
81516  -6*e_2_0_2)
81517  e_3_1_3 = zeta*( c1*e_2_0_3 &
81518  +c2*e_3_0_3&
81519 
81520  )
81521  e_3_0_4 = zetb*( c1*e_2_0_3 &
81522  +c3*e_3_0_3&
81523 
81524  )
81525  e_4_1_3 = zeta*( c1*e_3_0_3 &
81526 
81527 
81528  )
81529  e_4_0_4 = zetb*( c1*e_3_0_3 &
81530 
81531 
81532  )
81533  e_0_2_3 = zeta*( &
81534  +c2*e_0_1_3&
81535  +2*e_1_1_3 &
81536  -2*e_0_0_3)
81537  e_0_1_4 = zetb*( &
81538  +c3*e_0_1_3&
81539  +2*e_1_1_3 &
81540  -6*e_0_1_2)
81541  e_1_2_3 = zeta*( c1*e_0_1_3 &
81542  +c2*e_1_1_3&
81543  +4*e_2_1_3 &
81544  -2*e_1_0_3)
81545  e_1_1_4 = zetb*( c1*e_0_1_3 &
81546  +c3*e_1_1_3&
81547  +4*e_2_1_3 &
81548  -6*e_1_1_2)
81549  e_2_2_3 = zeta*( c1*e_1_1_3 &
81550  +c2*e_2_1_3&
81551  +6*e_3_1_3 &
81552  -2*e_2_0_3)
81553  e_2_1_4 = zetb*( c1*e_1_1_3 &
81554  +c3*e_2_1_3&
81555  +6*e_3_1_3 &
81556  -6*e_2_1_2)
81557  e_3_2_3 = zeta*( c1*e_2_1_3 &
81558  +c2*e_3_1_3&
81559  +8*e_4_1_3 &
81560  -2*e_3_0_3)
81561  e_3_1_4 = zetb*( c1*e_2_1_3 &
81562  +c3*e_3_1_3&
81563  +8*e_4_1_3 &
81564  -6*e_3_1_2)
81565  e_4_2_3 = zeta*( c1*e_3_1_3 &
81566  +c2*e_4_1_3&
81567 
81568  )
81569  e_4_1_4 = zetb*( c1*e_3_1_3 &
81570  +c3*e_4_1_3&
81571 
81572  )
81573  e_5_2_3 = zeta*( c1*e_4_1_3 &
81574 
81575 
81576  )
81577  e_5_1_4 = zetb*( c1*e_4_1_3 &
81578 
81579 
81580  )
81581  e_0_2_4 = zetb*( &
81582  +c3*e_0_2_3&
81583  +2*e_1_2_3 &
81584  -6*e_0_2_2)
81585  e_1_2_4 = zetb*( c1*e_0_2_3 &
81586  +c3*e_1_2_3&
81587  +4*e_2_2_3 &
81588  -6*e_1_2_2)
81589  e_2_2_4 = zetb*( c1*e_1_2_3 &
81590  +c3*e_2_2_3&
81591  +6*e_3_2_3 &
81592  -6*e_2_2_2)
81593  e_3_2_4 = zetb*( c1*e_2_2_3 &
81594  +c3*e_3_2_3&
81595  +8*e_4_2_3 &
81596  -6*e_3_2_2)
81597  e_4_2_4 = zetb*( c1*e_3_2_3 &
81598  +c3*e_4_2_3&
81599  +10*e_5_2_3 &
81600  -6*e_4_2_2)
81601  e_5_2_4 = zetb*( c1*e_4_2_3 &
81602  +c3*e_5_2_3&
81603 
81604  )
81605  e_6_2_4 = zetb*( c1*e_5_2_3 &
81606 
81607 
81608  )
81609  e_0_1_4 = zeta*( &
81610  +c2*e_0_0_4&
81611  +2*e_1_0_4 &
81612  )
81613  e_1_1_4 = zeta*( c1*e_0_0_4 &
81614  +c2*e_1_0_4&
81615  +4*e_2_0_4 &
81616  )
81617  e_2_1_4 = zeta*( c1*e_1_0_4 &
81618  +c2*e_2_0_4&
81619  +6*e_3_0_4 &
81620  )
81621  e_3_1_4 = zeta*( c1*e_2_0_4 &
81622  +c2*e_3_0_4&
81623  +8*e_4_0_4 &
81624  )
81625  e_4_1_4 = zeta*( c1*e_3_0_4 &
81626  +c2*e_4_0_4&
81627 
81628  )
81629  e_5_1_4 = zeta*( c1*e_4_0_4 &
81630 
81631 
81632  )
81633  e_0_2_4 = zeta*( &
81634  +c2*e_0_1_4&
81635  +2*e_1_1_4 &
81636  -2*e_0_0_4)
81637  e_1_2_4 = zeta*( c1*e_0_1_4 &
81638  +c2*e_1_1_4&
81639  +4*e_2_1_4 &
81640  -2*e_1_0_4)
81641  e_2_2_4 = zeta*( c1*e_1_1_4 &
81642  +c2*e_2_1_4&
81643  +6*e_3_1_4 &
81644  -2*e_2_0_4)
81645  e_3_2_4 = zeta*( c1*e_2_1_4 &
81646  +c2*e_3_1_4&
81647  +8*e_4_1_4 &
81648  -2*e_3_0_4)
81649  e_4_2_4 = zeta*( c1*e_3_1_4 &
81650  +c2*e_4_1_4&
81651  +10*e_5_1_4 &
81652  -2*e_4_0_4)
81653  e_5_2_4 = zeta*( c1*e_4_1_4 &
81654  +c2*e_5_1_4&
81655 
81656  )
81657  e_6_2_4 = zeta*( c1*e_5_1_4 &
81658 
81659 
81660  )
81661 
81662  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
81663  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
81664  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
81665  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
81666  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
81667  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
81668  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
81669  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
81670  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
81671  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
81672  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
81673  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
81674  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
81675  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
81676  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
81677  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
81678  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
81679  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
81680  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
81681  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
81682  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
81683  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
81684  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
81685  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
81686  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
81687  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
81688  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
81689  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
81690  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
81691  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
81692  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
81693  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
81694  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
81695  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
81696  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
81697  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
81698  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
81699  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
81700  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
81701  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
81702  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
81703  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
81704  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
81705  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
81706  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
81707  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
81708  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
81709  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
81710  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
81711  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
81712  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
81713  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
81714  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
81715  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
81716  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
81717  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
81718  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
81719  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
81720  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
81721  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
81722  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
81723  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
81724  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
81725  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
81726  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
81727  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
81728  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
81729  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
81730  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
81731  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
81732  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
81733  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
81734  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
81735  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
81736  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
81737  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
81738  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
81739  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
81740  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
81741  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
81742  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
81743  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
81744  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
81745  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
81746  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
81747  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
81748  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
81749  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
81750  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
81751  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
81752  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
81753  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
81754  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
81755  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
81756  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
81757  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
81758  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
81759  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
81760  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
81761  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
81762  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
81763  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
81764  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
81765  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
81766  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
81767  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
81768  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
81769  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
81770  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
81771  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
81772  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
81773  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
81774  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
81775  s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
81776  s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
81777  s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
81778  s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
81779  s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
81780  s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
81781  s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
81782  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
81783  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
81784  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
81785  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
81786  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
81787  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
81788  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
81789  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
81790  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
81791  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
81792  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
81793  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
81794  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
81795  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
81796  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
81797  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
81798  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
81799  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
81800  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
81801  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
81802  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
81803  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
81804  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
81805  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
81806  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
81807  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
81808  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
81809  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
81810  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
81811  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
81812  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
81813  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
81814  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
81815  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
81816  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
81817  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
81818  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
81819  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
81820  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
81821  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
81822  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
81823  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
81824  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
81825  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
81826  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
81827  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
81828  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
81829  s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
81830  s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
81831  s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
81832  s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
81833  s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
81834  s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
81835  s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
81836  s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
81837  s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
81838  s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
81839  s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
81840  s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
81841  s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
81842  r1 = r1 + dr
81843  END DO
81844 
81845  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
81846  END SUBROUTINE
81847  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_4_3_exp_1 ( &
81848  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
81849  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
81850  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
81851  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
81852  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
81853  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
81854  r_pow_t, r_tmp, rr1_delta, rr2_delta
81855 
81856  REAL(kind=dp) :: c1, c2, c3
81857  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
81858  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
81859  & s_r_t2_9
81860  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
81861  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
81862  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
81863  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
81864  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
81865  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
81866  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
81867  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
81868  & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
81869  & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4,&
81870  & e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4, e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4
81871 
81872  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
81873 
81874  dr = lgth
81875  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
81876 
81877  s_r(:, :, :) = 0.0_dp
81878 
81879  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
81880 
81881  h_to_c_0_0 = sqrt(alpha/pi)
81882 
81883  h_to_c_0_1 = 0.0_dp
81884  h_to_c_1_1 = +2*alpha*h_to_c_0_0
81885  h_to_c_0_2 = -1*h_to_c_1_1
81886  h_to_c_1_2 = +2*alpha*h_to_c_0_1
81887  h_to_c_2_2 = +2*alpha*h_to_c_1_1
81888  h_to_c_0_3 = -1*h_to_c_1_2
81889  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
81890  h_to_c_2_3 = +2*alpha*h_to_c_1_2
81891  h_to_c_3_3 = +2*alpha*h_to_c_2_2
81892  h_to_c_0_4 = -1*h_to_c_1_3
81893  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
81894  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
81895  h_to_c_3_4 = +2*alpha*h_to_c_2_3
81896  h_to_c_4_4 = +2*alpha*h_to_c_3_3
81897  h_to_c_0_5 = -1*h_to_c_1_4
81898  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
81899  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
81900  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
81901  h_to_c_4_5 = +2*alpha*h_to_c_3_4
81902  h_to_c_5_5 = +2*alpha*h_to_c_4_4
81903  h_to_c_0_6 = -1*h_to_c_1_5
81904  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
81905  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
81906  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
81907  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
81908  h_to_c_5_6 = +2*alpha*h_to_c_4_5
81909  h_to_c_6_6 = +2*alpha*h_to_c_5_5
81910  h_to_c_0_7 = -1*h_to_c_1_6
81911  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
81912  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
81913  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
81914  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
81915  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
81916  h_to_c_6_7 = +2*alpha*h_to_c_5_6
81917  h_to_c_7_7 = +2*alpha*h_to_c_6_6
81918  h_to_c_0_8 = -1*h_to_c_1_7
81919  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
81920  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
81921  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
81922  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
81923  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
81924  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
81925  h_to_c_7_8 = +2*alpha*h_to_c_6_7
81926  h_to_c_8_8 = +2*alpha*h_to_c_7_7
81927  h_to_c_0_9 = -1*h_to_c_1_8
81928  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
81929  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
81930  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
81931  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
81932  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
81933  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
81934  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
81935  h_to_c_8_9 = +2*alpha*h_to_c_7_8
81936  h_to_c_9_9 = +2*alpha*h_to_c_8_8
81937 
81938  exp_drsq = exp(-alpha*dr*dr)
81939  exp_2drsq = exp_drsq*exp_drsq
81940 
81941  rr1_delta = (ra - rb)/dr
81942 
81943  rr1_l = ceiling(-r_c(1) + rr1_delta)
81944  rr1_r = floor(r_c(1) + rr1_delta)
81945 
81946  r1 = rr1_l*dr
81947 
81948  alpha_e = zeta*zetb/(zeta + zetb)
81949 
81950  DO rr1 = rr1_l, rr1_r
81951  s_r_t_0 = 0.0_dp
81952  s_r_t2_0 = 0.0_dp
81953  s_r_t_1 = 0.0_dp
81954  s_r_t2_1 = 0.0_dp
81955  s_r_t_2 = 0.0_dp
81956  s_r_t2_2 = 0.0_dp
81957  s_r_t_3 = 0.0_dp
81958  s_r_t2_3 = 0.0_dp
81959  s_r_t_4 = 0.0_dp
81960  s_r_t2_4 = 0.0_dp
81961  s_r_t_5 = 0.0_dp
81962  s_r_t2_5 = 0.0_dp
81963  s_r_t_6 = 0.0_dp
81964  s_r_t2_6 = 0.0_dp
81965  s_r_t_7 = 0.0_dp
81966  s_r_t2_7 = 0.0_dp
81967  s_r_t_8 = 0.0_dp
81968  s_r_t2_8 = 0.0_dp
81969  s_r_t_9 = 0.0_dp
81970  s_r_t2_9 = 0.0_dp
81971  r_tmp = r_offset + r1*zeta/(zeta + zetb)
81972  rr2_delta = -r_tmp/dr
81973 
81974  rr2_l = ceiling(-r_c(2) + rr2_delta)
81975  rr2_r = floor(r_c(2) + rr2_delta)
81976 
81977  r = r_tmp + (rr2_l)*dr
81978 
81979  exp2_2rdr = exp(-2*alpha*r*dr)
81980  exp2_rsq = exp(-alpha*r*r)
81981 
81982  DO rr2 = rr2_l, rr2_r
81983  r_pow_t = 1.0_dp
81984  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
81985  r_pow_t = r_pow_t*r
81986  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
81987  r_pow_t = r_pow_t*r
81988  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
81989  r_pow_t = r_pow_t*r
81990  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
81991  r_pow_t = r_pow_t*r
81992  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
81993  r_pow_t = r_pow_t*r
81994  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
81995  r_pow_t = r_pow_t*r
81996  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
81997  r_pow_t = r_pow_t*r
81998  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
81999  r_pow_t = r_pow_t*r
82000  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
82001  r_pow_t = r_pow_t*r
82002  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
82003 
82004  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
82005  exp2_2rdr = exp2_2rdr*exp_2drsq
82006  r = r + dr
82007  END DO
82008 
82009  ! C --> H
82010  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
82011  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
82012  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
82013  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
82014  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
82015  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
82016  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
82017  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
82018  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
82019  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
82020  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
82021  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
82022  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
82023  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
82024  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
82025  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
82026  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
82027  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
82028  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
82029  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
82030  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
82031  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
82032  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
82033  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
82034  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
82035  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
82036  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
82037  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
82038  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
82039  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
82040  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
82041  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
82042  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
82043  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
82044  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
82045  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
82046  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
82047  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
82048  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
82049  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
82050  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
82051  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
82052  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
82053  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
82054  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
82055  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
82056  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
82057  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
82058  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
82059  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
82060  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
82061  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
82062  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
82063  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
82064  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
82065 
82066  ! H --> HH
82067  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
82068 
82069  c1 = 1.0_dp/(zeta + zetb)
82070  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
82071  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
82072 
82073  e_0_1_0 = zeta*( &
82074  +c2*e_0_0_0&
82075 
82076  )
82077  e_0_0_1 = zetb*( &
82078  +c3*e_0_0_0&
82079 
82080  )
82081  e_1_1_0 = zeta*( c1*e_0_0_0 &
82082 
82083 
82084  )
82085  e_1_0_1 = zetb*( c1*e_0_0_0 &
82086 
82087 
82088  )
82089  e_0_2_0 = zeta*( &
82090  +c2*e_0_1_0&
82091  +2*e_1_1_0 &
82092  -2*e_0_0_0)
82093  e_0_1_1 = zetb*( &
82094  +c3*e_0_1_0&
82095  +2*e_1_1_0 &
82096  )
82097  e_1_2_0 = zeta*( c1*e_0_1_0 &
82098  +c2*e_1_1_0&
82099 
82100  )
82101  e_1_1_1 = zetb*( c1*e_0_1_0 &
82102  +c3*e_1_1_0&
82103 
82104  )
82105  e_2_2_0 = zeta*( c1*e_1_1_0 &
82106 
82107 
82108  )
82109  e_2_1_1 = zetb*( c1*e_1_1_0 &
82110 
82111 
82112  )
82113  e_0_2_1 = zetb*( &
82114  +c3*e_0_2_0&
82115  +2*e_1_2_0 &
82116  )
82117  e_1_2_1 = zetb*( c1*e_0_2_0 &
82118  +c3*e_1_2_0&
82119  +4*e_2_2_0 &
82120  )
82121  e_2_2_1 = zetb*( c1*e_1_2_0 &
82122  +c3*e_2_2_0&
82123 
82124  )
82125  e_3_2_1 = zetb*( c1*e_2_2_0 &
82126 
82127 
82128  )
82129  e_0_1_1 = zeta*( &
82130  +c2*e_0_0_1&
82131  +2*e_1_0_1 &
82132  )
82133  e_0_0_2 = zetb*( &
82134  +c3*e_0_0_1&
82135  +2*e_1_0_1 &
82136  -2*e_0_0_0)
82137  e_1_1_1 = zeta*( c1*e_0_0_1 &
82138  +c2*e_1_0_1&
82139 
82140  )
82141  e_1_0_2 = zetb*( c1*e_0_0_1 &
82142  +c3*e_1_0_1&
82143 
82144  )
82145  e_2_1_1 = zeta*( c1*e_1_0_1 &
82146 
82147 
82148  )
82149  e_2_0_2 = zetb*( c1*e_1_0_1 &
82150 
82151 
82152  )
82153  e_0_2_1 = zeta*( &
82154  +c2*e_0_1_1&
82155  +2*e_1_1_1 &
82156  -2*e_0_0_1)
82157  e_0_1_2 = zetb*( &
82158  +c3*e_0_1_1&
82159  +2*e_1_1_1 &
82160  -2*e_0_1_0)
82161  e_1_2_1 = zeta*( c1*e_0_1_1 &
82162  +c2*e_1_1_1&
82163  +4*e_2_1_1 &
82164  -2*e_1_0_1)
82165  e_1_1_2 = zetb*( c1*e_0_1_1 &
82166  +c3*e_1_1_1&
82167  +4*e_2_1_1 &
82168  -2*e_1_1_0)
82169  e_2_2_1 = zeta*( c1*e_1_1_1 &
82170  +c2*e_2_1_1&
82171 
82172  )
82173  e_2_1_2 = zetb*( c1*e_1_1_1 &
82174  +c3*e_2_1_1&
82175 
82176  )
82177  e_3_2_1 = zeta*( c1*e_2_1_1 &
82178 
82179 
82180  )
82181  e_3_1_2 = zetb*( c1*e_2_1_1 &
82182 
82183 
82184  )
82185  e_0_2_2 = zetb*( &
82186  +c3*e_0_2_1&
82187  +2*e_1_2_1 &
82188  -2*e_0_2_0)
82189  e_1_2_2 = zetb*( c1*e_0_2_1 &
82190  +c3*e_1_2_1&
82191  +4*e_2_2_1 &
82192  -2*e_1_2_0)
82193  e_2_2_2 = zetb*( c1*e_1_2_1 &
82194  +c3*e_2_2_1&
82195  +6*e_3_2_1 &
82196  -2*e_2_2_0)
82197  e_3_2_2 = zetb*( c1*e_2_2_1 &
82198  +c3*e_3_2_1&
82199 
82200  )
82201  e_4_2_2 = zetb*( c1*e_3_2_1 &
82202 
82203 
82204  )
82205  e_0_1_2 = zeta*( &
82206  +c2*e_0_0_2&
82207  +2*e_1_0_2 &
82208  )
82209  e_0_0_3 = zetb*( &
82210  +c3*e_0_0_2&
82211  +2*e_1_0_2 &
82212  -4*e_0_0_1)
82213  e_1_1_2 = zeta*( c1*e_0_0_2 &
82214  +c2*e_1_0_2&
82215  +4*e_2_0_2 &
82216  )
82217  e_1_0_3 = zetb*( c1*e_0_0_2 &
82218  +c3*e_1_0_2&
82219  +4*e_2_0_2 &
82220  -4*e_1_0_1)
82221  e_2_1_2 = zeta*( c1*e_1_0_2 &
82222  +c2*e_2_0_2&
82223 
82224  )
82225  e_2_0_3 = zetb*( c1*e_1_0_2 &
82226  +c3*e_2_0_2&
82227 
82228  )
82229  e_3_1_2 = zeta*( c1*e_2_0_2 &
82230 
82231 
82232  )
82233  e_3_0_3 = zetb*( c1*e_2_0_2 &
82234 
82235 
82236  )
82237  e_0_2_2 = zeta*( &
82238  +c2*e_0_1_2&
82239  +2*e_1_1_2 &
82240  -2*e_0_0_2)
82241  e_0_1_3 = zetb*( &
82242  +c3*e_0_1_2&
82243  +2*e_1_1_2 &
82244  -4*e_0_1_1)
82245  e_1_2_2 = zeta*( c1*e_0_1_2 &
82246  +c2*e_1_1_2&
82247  +4*e_2_1_2 &
82248  -2*e_1_0_2)
82249  e_1_1_3 = zetb*( c1*e_0_1_2 &
82250  +c3*e_1_1_2&
82251  +4*e_2_1_2 &
82252  -4*e_1_1_1)
82253  e_2_2_2 = zeta*( c1*e_1_1_2 &
82254  +c2*e_2_1_2&
82255  +6*e_3_1_2 &
82256  -2*e_2_0_2)
82257  e_2_1_3 = zetb*( c1*e_1_1_2 &
82258  +c3*e_2_1_2&
82259  +6*e_3_1_2 &
82260  -4*e_2_1_1)
82261  e_3_2_2 = zeta*( c1*e_2_1_2 &
82262  +c2*e_3_1_2&
82263 
82264  )
82265  e_3_1_3 = zetb*( c1*e_2_1_2 &
82266  +c3*e_3_1_2&
82267 
82268  )
82269  e_4_2_2 = zeta*( c1*e_3_1_2 &
82270 
82271 
82272  )
82273  e_4_1_3 = zetb*( c1*e_3_1_2 &
82274 
82275 
82276  )
82277  e_0_2_3 = zetb*( &
82278  +c3*e_0_2_2&
82279  +2*e_1_2_2 &
82280  -4*e_0_2_1)
82281  e_1_2_3 = zetb*( c1*e_0_2_2 &
82282  +c3*e_1_2_2&
82283  +4*e_2_2_2 &
82284  -4*e_1_2_1)
82285  e_2_2_3 = zetb*( c1*e_1_2_2 &
82286  +c3*e_2_2_2&
82287  +6*e_3_2_2 &
82288  -4*e_2_2_1)
82289  e_3_2_3 = zetb*( c1*e_2_2_2 &
82290  +c3*e_3_2_2&
82291  +8*e_4_2_2 &
82292  -4*e_3_2_1)
82293  e_4_2_3 = zetb*( c1*e_3_2_2 &
82294  +c3*e_4_2_2&
82295 
82296  )
82297  e_5_2_3 = zetb*( c1*e_4_2_2 &
82298 
82299 
82300  )
82301  e_0_1_3 = zeta*( &
82302  +c2*e_0_0_3&
82303  +2*e_1_0_3 &
82304  )
82305  e_0_0_4 = zetb*( &
82306  +c3*e_0_0_3&
82307  +2*e_1_0_3 &
82308  -6*e_0_0_2)
82309  e_1_1_3 = zeta*( c1*e_0_0_3 &
82310  +c2*e_1_0_3&
82311  +4*e_2_0_3 &
82312  )
82313  e_1_0_4 = zetb*( c1*e_0_0_3 &
82314  +c3*e_1_0_3&
82315  +4*e_2_0_3 &
82316  -6*e_1_0_2)
82317  e_2_1_3 = zeta*( c1*e_1_0_3 &
82318  +c2*e_2_0_3&
82319  +6*e_3_0_3 &
82320  )
82321  e_2_0_4 = zetb*( c1*e_1_0_3 &
82322  +c3*e_2_0_3&
82323  +6*e_3_0_3 &
82324  -6*e_2_0_2)
82325  e_3_1_3 = zeta*( c1*e_2_0_3 &
82326  +c2*e_3_0_3&
82327 
82328  )
82329  e_3_0_4 = zetb*( c1*e_2_0_3 &
82330  +c3*e_3_0_3&
82331 
82332  )
82333  e_4_1_3 = zeta*( c1*e_3_0_3 &
82334 
82335 
82336  )
82337  e_4_0_4 = zetb*( c1*e_3_0_3 &
82338 
82339 
82340  )
82341  e_0_2_3 = zeta*( &
82342  +c2*e_0_1_3&
82343  +2*e_1_1_3 &
82344  -2*e_0_0_3)
82345  e_0_1_4 = zetb*( &
82346  +c3*e_0_1_3&
82347  +2*e_1_1_3 &
82348  -6*e_0_1_2)
82349  e_1_2_3 = zeta*( c1*e_0_1_3 &
82350  +c2*e_1_1_3&
82351  +4*e_2_1_3 &
82352  -2*e_1_0_3)
82353  e_1_1_4 = zetb*( c1*e_0_1_3 &
82354  +c3*e_1_1_3&
82355  +4*e_2_1_3 &
82356  -6*e_1_1_2)
82357  e_2_2_3 = zeta*( c1*e_1_1_3 &
82358  +c2*e_2_1_3&
82359  +6*e_3_1_3 &
82360  -2*e_2_0_3)
82361  e_2_1_4 = zetb*( c1*e_1_1_3 &
82362  +c3*e_2_1_3&
82363  +6*e_3_1_3 &
82364  -6*e_2_1_2)
82365  e_3_2_3 = zeta*( c1*e_2_1_3 &
82366  +c2*e_3_1_3&
82367  +8*e_4_1_3 &
82368  -2*e_3_0_3)
82369  e_3_1_4 = zetb*( c1*e_2_1_3 &
82370  +c3*e_3_1_3&
82371  +8*e_4_1_3 &
82372  -6*e_3_1_2)
82373  e_4_2_3 = zeta*( c1*e_3_1_3 &
82374  +c2*e_4_1_3&
82375 
82376  )
82377  e_4_1_4 = zetb*( c1*e_3_1_3 &
82378  +c3*e_4_1_3&
82379 
82380  )
82381  e_5_2_3 = zeta*( c1*e_4_1_3 &
82382 
82383 
82384  )
82385  e_5_1_4 = zetb*( c1*e_4_1_3 &
82386 
82387 
82388  )
82389  e_0_2_4 = zetb*( &
82390  +c3*e_0_2_3&
82391  +2*e_1_2_3 &
82392  -6*e_0_2_2)
82393  e_1_2_4 = zetb*( c1*e_0_2_3 &
82394  +c3*e_1_2_3&
82395  +4*e_2_2_3 &
82396  -6*e_1_2_2)
82397  e_2_2_4 = zetb*( c1*e_1_2_3 &
82398  +c3*e_2_2_3&
82399  +6*e_3_2_3 &
82400  -6*e_2_2_2)
82401  e_3_2_4 = zetb*( c1*e_2_2_3 &
82402  +c3*e_3_2_3&
82403  +8*e_4_2_3 &
82404  -6*e_3_2_2)
82405  e_4_2_4 = zetb*( c1*e_3_2_3 &
82406  +c3*e_4_2_3&
82407  +10*e_5_2_3 &
82408  -6*e_4_2_2)
82409  e_5_2_4 = zetb*( c1*e_4_2_3 &
82410  +c3*e_5_2_3&
82411 
82412  )
82413  e_6_2_4 = zetb*( c1*e_5_2_3 &
82414 
82415 
82416  )
82417  e_0_1_4 = zeta*( &
82418  +c2*e_0_0_4&
82419  +2*e_1_0_4 &
82420  )
82421  e_1_1_4 = zeta*( c1*e_0_0_4 &
82422  +c2*e_1_0_4&
82423  +4*e_2_0_4 &
82424  )
82425  e_2_1_4 = zeta*( c1*e_1_0_4 &
82426  +c2*e_2_0_4&
82427  +6*e_3_0_4 &
82428  )
82429  e_3_1_4 = zeta*( c1*e_2_0_4 &
82430  +c2*e_3_0_4&
82431  +8*e_4_0_4 &
82432  )
82433  e_4_1_4 = zeta*( c1*e_3_0_4 &
82434  +c2*e_4_0_4&
82435 
82436  )
82437  e_5_1_4 = zeta*( c1*e_4_0_4 &
82438 
82439 
82440  )
82441  e_0_2_4 = zeta*( &
82442  +c2*e_0_1_4&
82443  +2*e_1_1_4 &
82444  -2*e_0_0_4)
82445  e_1_2_4 = zeta*( c1*e_0_1_4 &
82446  +c2*e_1_1_4&
82447  +4*e_2_1_4 &
82448  -2*e_1_0_4)
82449  e_2_2_4 = zeta*( c1*e_1_1_4 &
82450  +c2*e_2_1_4&
82451  +6*e_3_1_4 &
82452  -2*e_2_0_4)
82453  e_3_2_4 = zeta*( c1*e_2_1_4 &
82454  +c2*e_3_1_4&
82455  +8*e_4_1_4 &
82456  -2*e_3_0_4)
82457  e_4_2_4 = zeta*( c1*e_3_1_4 &
82458  +c2*e_4_1_4&
82459  +10*e_5_1_4 &
82460  -2*e_4_0_4)
82461  e_5_2_4 = zeta*( c1*e_4_1_4 &
82462  +c2*e_5_1_4&
82463 
82464  )
82465  e_6_2_4 = zeta*( c1*e_5_1_4 &
82466 
82467 
82468  )
82469 
82470  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
82471  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
82472  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
82473  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
82474  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
82475  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
82476  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
82477  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
82478  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
82479  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
82480  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
82481  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
82482  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
82483  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
82484  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
82485  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
82486  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
82487  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
82488  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
82489  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
82490  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
82491  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
82492  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
82493  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
82494  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
82495  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
82496  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
82497  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
82498  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
82499  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
82500  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
82501  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
82502  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
82503  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
82504  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
82505  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
82506  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
82507  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
82508  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
82509  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
82510  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
82511  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
82512  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
82513  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
82514  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
82515  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
82516  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
82517  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
82518  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
82519  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
82520  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
82521  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
82522  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
82523  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
82524  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
82525  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
82526  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
82527  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
82528  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
82529  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
82530  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
82531  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
82532  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
82533  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
82534  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
82535  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
82536  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
82537  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
82538  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
82539  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
82540  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
82541  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
82542  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
82543  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
82544  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
82545  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
82546  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
82547  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
82548  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
82549  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
82550  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
82551  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
82552  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
82553  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
82554  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
82555  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
82556  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
82557  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
82558  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
82559  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
82560  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
82561  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
82562  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
82563  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
82564  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
82565  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
82566  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
82567  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
82568  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
82569  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
82570  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
82571  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
82572  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
82573  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
82574  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
82575  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
82576  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
82577  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
82578  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
82579  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
82580  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
82581  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
82582  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
82583  s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
82584  s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
82585  s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
82586  s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
82587  s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
82588  s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
82589  s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
82590  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
82591  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
82592  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
82593  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
82594  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
82595  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
82596  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
82597  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
82598  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
82599  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
82600  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
82601  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
82602  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
82603  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
82604  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
82605  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
82606  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
82607  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
82608  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
82609  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
82610  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
82611  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
82612  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
82613  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
82614  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
82615  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
82616  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
82617  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
82618  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
82619  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
82620  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
82621  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
82622  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
82623  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
82624  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
82625  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
82626  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
82627  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
82628  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
82629  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
82630  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
82631  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
82632  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
82633  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
82634  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
82635  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
82636  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
82637  s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
82638  s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
82639  s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
82640  s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
82641  s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
82642  s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
82643  s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
82644  s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
82645  s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
82646  s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
82647  s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
82648  s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
82649  s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
82650  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
82651  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
82652  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
82653  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
82654  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
82655  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
82656  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
82657  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
82658  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
82659  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
82660  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
82661  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
82662  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
82663  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
82664  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
82665  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
82666  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
82667  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
82668  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
82669  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
82670  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
82671  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
82672  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
82673  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
82674  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
82675  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
82676  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
82677  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
82678  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
82679  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
82680  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
82681  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
82682  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
82683  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
82684  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
82685  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
82686  s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
82687  s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
82688  s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
82689  s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
82690  s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
82691  s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
82692  s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
82693  s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
82694  s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
82695  s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
82696  s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
82697  s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
82698  s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
82699  s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
82700  s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
82701  s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
82702  s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
82703  s_r(2, 4, 3) = s_r(2, 4, 3) + e_0_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
82704  s_r(2, 4, 3) = s_r(2, 4, 3) + e_1_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
82705  s_r(2, 4, 3) = s_r(2, 4, 3) + e_2_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
82706  s_r(2, 4, 3) = s_r(2, 4, 3) + e_3_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
82707  s_r(2, 4, 3) = s_r(2, 4, 3) + e_4_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
82708  s_r(2, 4, 3) = s_r(2, 4, 3) + e_5_2_4*(-1)*s_r_t2_8 ! cost: 5 flops
82709  s_r(2, 4, 3) = s_r(2, 4, 3) + e_6_2_4*(-1)*s_r_t2_9 ! cost: 5 flops
82710  r1 = r1 + dr
82711  END DO
82712 
82713  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
82714  END SUBROUTINE
82715  PURE SUBROUTINE pgf_sum_3c_rspace_1d_2_4_4_exp_1 ( &
82716  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
82717  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
82718  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
82719  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
82720  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
82721  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
82722  r_pow_t, r_tmp, rr1_delta, rr2_delta
82723 
82724  REAL(kind=dp) :: c1, c2, c3
82725  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
82726  & s_r_t_10
82727  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
82728  & s_r_t2_9, s_r_t2_10
82729  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
82730  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
82731  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
82732  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
82733  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
82734  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
82735  & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10
82736  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1,&
82737  & e_1_2_1, e_2_2_1, e_3_2_1, e_0_0_2, e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2,&
82738  & e_3_2_2, e_4_2_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3,&
82739  & e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4,&
82740  & e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4, e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4
82741 
82742  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
82743 
82744  dr = lgth
82745  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
82746 
82747  s_r(:, :, :) = 0.0_dp
82748 
82749  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
82750 
82751  h_to_c_0_0 = sqrt(alpha/pi)
82752 
82753  h_to_c_0_1 = 0.0_dp
82754  h_to_c_1_1 = +2*alpha*h_to_c_0_0
82755  h_to_c_0_2 = -1*h_to_c_1_1
82756  h_to_c_1_2 = +2*alpha*h_to_c_0_1
82757  h_to_c_2_2 = +2*alpha*h_to_c_1_1
82758  h_to_c_0_3 = -1*h_to_c_1_2
82759  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
82760  h_to_c_2_3 = +2*alpha*h_to_c_1_2
82761  h_to_c_3_3 = +2*alpha*h_to_c_2_2
82762  h_to_c_0_4 = -1*h_to_c_1_3
82763  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
82764  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
82765  h_to_c_3_4 = +2*alpha*h_to_c_2_3
82766  h_to_c_4_4 = +2*alpha*h_to_c_3_3
82767  h_to_c_0_5 = -1*h_to_c_1_4
82768  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
82769  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
82770  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
82771  h_to_c_4_5 = +2*alpha*h_to_c_3_4
82772  h_to_c_5_5 = +2*alpha*h_to_c_4_4
82773  h_to_c_0_6 = -1*h_to_c_1_5
82774  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
82775  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
82776  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
82777  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
82778  h_to_c_5_6 = +2*alpha*h_to_c_4_5
82779  h_to_c_6_6 = +2*alpha*h_to_c_5_5
82780  h_to_c_0_7 = -1*h_to_c_1_6
82781  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
82782  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
82783  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
82784  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
82785  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
82786  h_to_c_6_7 = +2*alpha*h_to_c_5_6
82787  h_to_c_7_7 = +2*alpha*h_to_c_6_6
82788  h_to_c_0_8 = -1*h_to_c_1_7
82789  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
82790  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
82791  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
82792  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
82793  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
82794  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
82795  h_to_c_7_8 = +2*alpha*h_to_c_6_7
82796  h_to_c_8_8 = +2*alpha*h_to_c_7_7
82797  h_to_c_0_9 = -1*h_to_c_1_8
82798  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
82799  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
82800  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
82801  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
82802  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
82803  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
82804  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
82805  h_to_c_8_9 = +2*alpha*h_to_c_7_8
82806  h_to_c_9_9 = +2*alpha*h_to_c_8_8
82807  h_to_c_0_10 = -1*h_to_c_1_9
82808  h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
82809  h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
82810  h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
82811  h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
82812  h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
82813  h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
82814  h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
82815  h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
82816  h_to_c_9_10 = +2*alpha*h_to_c_8_9
82817  h_to_c_10_10 = +2*alpha*h_to_c_9_9
82818 
82819  exp_drsq = exp(-alpha*dr*dr)
82820  exp_2drsq = exp_drsq*exp_drsq
82821 
82822  rr1_delta = (ra - rb)/dr
82823 
82824  rr1_l = ceiling(-r_c(1) + rr1_delta)
82825  rr1_r = floor(r_c(1) + rr1_delta)
82826 
82827  r1 = rr1_l*dr
82828 
82829  alpha_e = zeta*zetb/(zeta + zetb)
82830 
82831  DO rr1 = rr1_l, rr1_r
82832  s_r_t_0 = 0.0_dp
82833  s_r_t2_0 = 0.0_dp
82834  s_r_t_1 = 0.0_dp
82835  s_r_t2_1 = 0.0_dp
82836  s_r_t_2 = 0.0_dp
82837  s_r_t2_2 = 0.0_dp
82838  s_r_t_3 = 0.0_dp
82839  s_r_t2_3 = 0.0_dp
82840  s_r_t_4 = 0.0_dp
82841  s_r_t2_4 = 0.0_dp
82842  s_r_t_5 = 0.0_dp
82843  s_r_t2_5 = 0.0_dp
82844  s_r_t_6 = 0.0_dp
82845  s_r_t2_6 = 0.0_dp
82846  s_r_t_7 = 0.0_dp
82847  s_r_t2_7 = 0.0_dp
82848  s_r_t_8 = 0.0_dp
82849  s_r_t2_8 = 0.0_dp
82850  s_r_t_9 = 0.0_dp
82851  s_r_t2_9 = 0.0_dp
82852  s_r_t_10 = 0.0_dp
82853  s_r_t2_10 = 0.0_dp
82854  r_tmp = r_offset + r1*zeta/(zeta + zetb)
82855  rr2_delta = -r_tmp/dr
82856 
82857  rr2_l = ceiling(-r_c(2) + rr2_delta)
82858  rr2_r = floor(r_c(2) + rr2_delta)
82859 
82860  r = r_tmp + (rr2_l)*dr
82861 
82862  exp2_2rdr = exp(-2*alpha*r*dr)
82863  exp2_rsq = exp(-alpha*r*r)
82864 
82865  DO rr2 = rr2_l, rr2_r
82866  r_pow_t = 1.0_dp
82867  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
82868  r_pow_t = r_pow_t*r
82869  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
82870  r_pow_t = r_pow_t*r
82871  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
82872  r_pow_t = r_pow_t*r
82873  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
82874  r_pow_t = r_pow_t*r
82875  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
82876  r_pow_t = r_pow_t*r
82877  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
82878  r_pow_t = r_pow_t*r
82879  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
82880  r_pow_t = r_pow_t*r
82881  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
82882  r_pow_t = r_pow_t*r
82883  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
82884  r_pow_t = r_pow_t*r
82885  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
82886  r_pow_t = r_pow_t*r
82887  s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
82888 
82889  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
82890  exp2_2rdr = exp2_2rdr*exp_2drsq
82891  r = r + dr
82892  END DO
82893 
82894  ! C --> H
82895  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
82896  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
82897  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
82898  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
82899  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
82900  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
82901  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
82902  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
82903  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
82904  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
82905  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
82906  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
82907  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
82908  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
82909  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
82910  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
82911  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
82912  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
82913  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
82914  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
82915  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
82916  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
82917  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
82918  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
82919  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
82920  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
82921  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
82922  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
82923  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
82924  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
82925  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
82926  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
82927  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
82928  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
82929  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
82930  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
82931  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
82932  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
82933  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
82934  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
82935  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
82936  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
82937  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
82938  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
82939  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
82940  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
82941  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
82942  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
82943  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
82944  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
82945  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
82946  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
82947  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
82948  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
82949  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
82950  s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
82951  s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
82952  s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
82953  s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
82954  s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
82955  s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
82956  s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
82957  s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
82958  s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
82959  s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
82960  s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
82961 
82962  ! H --> HH
82963  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
82964 
82965  c1 = 1.0_dp/(zeta + zetb)
82966  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
82967  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
82968 
82969  e_0_1_0 = zeta*( &
82970  +c2*e_0_0_0&
82971 
82972  )
82973  e_0_0_1 = zetb*( &
82974  +c3*e_0_0_0&
82975 
82976  )
82977  e_1_1_0 = zeta*( c1*e_0_0_0 &
82978 
82979 
82980  )
82981  e_1_0_1 = zetb*( c1*e_0_0_0 &
82982 
82983 
82984  )
82985  e_0_2_0 = zeta*( &
82986  +c2*e_0_1_0&
82987  +2*e_1_1_0 &
82988  -2*e_0_0_0)
82989  e_0_1_1 = zetb*( &
82990  +c3*e_0_1_0&
82991  +2*e_1_1_0 &
82992  )
82993  e_1_2_0 = zeta*( c1*e_0_1_0 &
82994  +c2*e_1_1_0&
82995 
82996  )
82997  e_1_1_1 = zetb*( c1*e_0_1_0 &
82998  +c3*e_1_1_0&
82999 
83000  )
83001  e_2_2_0 = zeta*( c1*e_1_1_0 &
83002 
83003 
83004  )
83005  e_2_1_1 = zetb*( c1*e_1_1_0 &
83006 
83007 
83008  )
83009  e_0_2_1 = zetb*( &
83010  +c3*e_0_2_0&
83011  +2*e_1_2_0 &
83012  )
83013  e_1_2_1 = zetb*( c1*e_0_2_0 &
83014  +c3*e_1_2_0&
83015  +4*e_2_2_0 &
83016  )
83017  e_2_2_1 = zetb*( c1*e_1_2_0 &
83018  +c3*e_2_2_0&
83019 
83020  )
83021  e_3_2_1 = zetb*( c1*e_2_2_0 &
83022 
83023 
83024  )
83025  e_0_1_1 = zeta*( &
83026  +c2*e_0_0_1&
83027  +2*e_1_0_1 &
83028  )
83029  e_0_0_2 = zetb*( &
83030  +c3*e_0_0_1&
83031  +2*e_1_0_1 &
83032  -2*e_0_0_0)
83033  e_1_1_1 = zeta*( c1*e_0_0_1 &
83034  +c2*e_1_0_1&
83035 
83036  )
83037  e_1_0_2 = zetb*( c1*e_0_0_1 &
83038  +c3*e_1_0_1&
83039 
83040  )
83041  e_2_1_1 = zeta*( c1*e_1_0_1 &
83042 
83043 
83044  )
83045  e_2_0_2 = zetb*( c1*e_1_0_1 &
83046 
83047 
83048  )
83049  e_0_2_1 = zeta*( &
83050  +c2*e_0_1_1&
83051  +2*e_1_1_1 &
83052  -2*e_0_0_1)
83053  e_0_1_2 = zetb*( &
83054  +c3*e_0_1_1&
83055  +2*e_1_1_1 &
83056  -2*e_0_1_0)
83057  e_1_2_1 = zeta*( c1*e_0_1_1 &
83058  +c2*e_1_1_1&
83059  +4*e_2_1_1 &
83060  -2*e_1_0_1)
83061  e_1_1_2 = zetb*( c1*e_0_1_1 &
83062  +c3*e_1_1_1&
83063  +4*e_2_1_1 &
83064  -2*e_1_1_0)
83065  e_2_2_1 = zeta*( c1*e_1_1_1 &
83066  +c2*e_2_1_1&
83067 
83068  )
83069  e_2_1_2 = zetb*( c1*e_1_1_1 &
83070  +c3*e_2_1_1&
83071 
83072  )
83073  e_3_2_1 = zeta*( c1*e_2_1_1 &
83074 
83075 
83076  )
83077  e_3_1_2 = zetb*( c1*e_2_1_1 &
83078 
83079 
83080  )
83081  e_0_2_2 = zetb*( &
83082  +c3*e_0_2_1&
83083  +2*e_1_2_1 &
83084  -2*e_0_2_0)
83085  e_1_2_2 = zetb*( c1*e_0_2_1 &
83086  +c3*e_1_2_1&
83087  +4*e_2_2_1 &
83088  -2*e_1_2_0)
83089  e_2_2_2 = zetb*( c1*e_1_2_1 &
83090  +c3*e_2_2_1&
83091  +6*e_3_2_1 &
83092  -2*e_2_2_0)
83093  e_3_2_2 = zetb*( c1*e_2_2_1 &
83094  +c3*e_3_2_1&
83095 
83096  )
83097  e_4_2_2 = zetb*( c1*e_3_2_1 &
83098 
83099 
83100  )
83101  e_0_1_2 = zeta*( &
83102  +c2*e_0_0_2&
83103  +2*e_1_0_2 &
83104  )
83105  e_0_0_3 = zetb*( &
83106  +c3*e_0_0_2&
83107  +2*e_1_0_2 &
83108  -4*e_0_0_1)
83109  e_1_1_2 = zeta*( c1*e_0_0_2 &
83110  +c2*e_1_0_2&
83111  +4*e_2_0_2 &
83112  )
83113  e_1_0_3 = zetb*( c1*e_0_0_2 &
83114  +c3*e_1_0_2&
83115  +4*e_2_0_2 &
83116  -4*e_1_0_1)
83117  e_2_1_2 = zeta*( c1*e_1_0_2 &
83118  +c2*e_2_0_2&
83119 
83120  )
83121  e_2_0_3 = zetb*( c1*e_1_0_2 &
83122  +c3*e_2_0_2&
83123 
83124  )
83125  e_3_1_2 = zeta*( c1*e_2_0_2 &
83126 
83127 
83128  )
83129  e_3_0_3 = zetb*( c1*e_2_0_2 &
83130 
83131 
83132  )
83133  e_0_2_2 = zeta*( &
83134  +c2*e_0_1_2&
83135  +2*e_1_1_2 &
83136  -2*e_0_0_2)
83137  e_0_1_3 = zetb*( &
83138  +c3*e_0_1_2&
83139  +2*e_1_1_2 &
83140  -4*e_0_1_1)
83141  e_1_2_2 = zeta*( c1*e_0_1_2 &
83142  +c2*e_1_1_2&
83143  +4*e_2_1_2 &
83144  -2*e_1_0_2)
83145  e_1_1_3 = zetb*( c1*e_0_1_2 &
83146  +c3*e_1_1_2&
83147  +4*e_2_1_2 &
83148  -4*e_1_1_1)
83149  e_2_2_2 = zeta*( c1*e_1_1_2 &
83150  +c2*e_2_1_2&
83151  +6*e_3_1_2 &
83152  -2*e_2_0_2)
83153  e_2_1_3 = zetb*( c1*e_1_1_2 &
83154  +c3*e_2_1_2&
83155  +6*e_3_1_2 &
83156  -4*e_2_1_1)
83157  e_3_2_2 = zeta*( c1*e_2_1_2 &
83158  +c2*e_3_1_2&
83159 
83160  )
83161  e_3_1_3 = zetb*( c1*e_2_1_2 &
83162  +c3*e_3_1_2&
83163 
83164  )
83165  e_4_2_2 = zeta*( c1*e_3_1_2 &
83166 
83167 
83168  )
83169  e_4_1_3 = zetb*( c1*e_3_1_2 &
83170 
83171 
83172  )
83173  e_0_2_3 = zetb*( &
83174  +c3*e_0_2_2&
83175  +2*e_1_2_2 &
83176  -4*e_0_2_1)
83177  e_1_2_3 = zetb*( c1*e_0_2_2 &
83178  +c3*e_1_2_2&
83179  +4*e_2_2_2 &
83180  -4*e_1_2_1)
83181  e_2_2_3 = zetb*( c1*e_1_2_2 &
83182  +c3*e_2_2_2&
83183  +6*e_3_2_2 &
83184  -4*e_2_2_1)
83185  e_3_2_3 = zetb*( c1*e_2_2_2 &
83186  +c3*e_3_2_2&
83187  +8*e_4_2_2 &
83188  -4*e_3_2_1)
83189  e_4_2_3 = zetb*( c1*e_3_2_2 &
83190  +c3*e_4_2_2&
83191 
83192  )
83193  e_5_2_3 = zetb*( c1*e_4_2_2 &
83194 
83195 
83196  )
83197  e_0_1_3 = zeta*( &
83198  +c2*e_0_0_3&
83199  +2*e_1_0_3 &
83200  )
83201  e_0_0_4 = zetb*( &
83202  +c3*e_0_0_3&
83203  +2*e_1_0_3 &
83204  -6*e_0_0_2)
83205  e_1_1_3 = zeta*( c1*e_0_0_3 &
83206  +c2*e_1_0_3&
83207  +4*e_2_0_3 &
83208  )
83209  e_1_0_4 = zetb*( c1*e_0_0_3 &
83210  +c3*e_1_0_3&
83211  +4*e_2_0_3 &
83212  -6*e_1_0_2)
83213  e_2_1_3 = zeta*( c1*e_1_0_3 &
83214  +c2*e_2_0_3&
83215  +6*e_3_0_3 &
83216  )
83217  e_2_0_4 = zetb*( c1*e_1_0_3 &
83218  +c3*e_2_0_3&
83219  +6*e_3_0_3 &
83220  -6*e_2_0_2)
83221  e_3_1_3 = zeta*( c1*e_2_0_3 &
83222  +c2*e_3_0_3&
83223 
83224  )
83225  e_3_0_4 = zetb*( c1*e_2_0_3 &
83226  +c3*e_3_0_3&
83227 
83228  )
83229  e_4_1_3 = zeta*( c1*e_3_0_3 &
83230 
83231 
83232  )
83233  e_4_0_4 = zetb*( c1*e_3_0_3 &
83234 
83235 
83236  )
83237  e_0_2_3 = zeta*( &
83238  +c2*e_0_1_3&
83239  +2*e_1_1_3 &
83240  -2*e_0_0_3)
83241  e_0_1_4 = zetb*( &
83242  +c3*e_0_1_3&
83243  +2*e_1_1_3 &
83244  -6*e_0_1_2)
83245  e_1_2_3 = zeta*( c1*e_0_1_3 &
83246  +c2*e_1_1_3&
83247  +4*e_2_1_3 &
83248  -2*e_1_0_3)
83249  e_1_1_4 = zetb*( c1*e_0_1_3 &
83250  +c3*e_1_1_3&
83251  +4*e_2_1_3 &
83252  -6*e_1_1_2)
83253  e_2_2_3 = zeta*( c1*e_1_1_3 &
83254  +c2*e_2_1_3&
83255  +6*e_3_1_3 &
83256  -2*e_2_0_3)
83257  e_2_1_4 = zetb*( c1*e_1_1_3 &
83258  +c3*e_2_1_3&
83259  +6*e_3_1_3 &
83260  -6*e_2_1_2)
83261  e_3_2_3 = zeta*( c1*e_2_1_3 &
83262  +c2*e_3_1_3&
83263  +8*e_4_1_3 &
83264  -2*e_3_0_3)
83265  e_3_1_4 = zetb*( c1*e_2_1_3 &
83266  +c3*e_3_1_3&
83267  +8*e_4_1_3 &
83268  -6*e_3_1_2)
83269  e_4_2_3 = zeta*( c1*e_3_1_3 &
83270  +c2*e_4_1_3&
83271 
83272  )
83273  e_4_1_4 = zetb*( c1*e_3_1_3 &
83274  +c3*e_4_1_3&
83275 
83276  )
83277  e_5_2_3 = zeta*( c1*e_4_1_3 &
83278 
83279 
83280  )
83281  e_5_1_4 = zetb*( c1*e_4_1_3 &
83282 
83283 
83284  )
83285  e_0_2_4 = zetb*( &
83286  +c3*e_0_2_3&
83287  +2*e_1_2_3 &
83288  -6*e_0_2_2)
83289  e_1_2_4 = zetb*( c1*e_0_2_3 &
83290  +c3*e_1_2_3&
83291  +4*e_2_2_3 &
83292  -6*e_1_2_2)
83293  e_2_2_4 = zetb*( c1*e_1_2_3 &
83294  +c3*e_2_2_3&
83295  +6*e_3_2_3 &
83296  -6*e_2_2_2)
83297  e_3_2_4 = zetb*( c1*e_2_2_3 &
83298  +c3*e_3_2_3&
83299  +8*e_4_2_3 &
83300  -6*e_3_2_2)
83301  e_4_2_4 = zetb*( c1*e_3_2_3 &
83302  +c3*e_4_2_3&
83303  +10*e_5_2_3 &
83304  -6*e_4_2_2)
83305  e_5_2_4 = zetb*( c1*e_4_2_3 &
83306  +c3*e_5_2_3&
83307 
83308  )
83309  e_6_2_4 = zetb*( c1*e_5_2_3 &
83310 
83311 
83312  )
83313  e_0_1_4 = zeta*( &
83314  +c2*e_0_0_4&
83315  +2*e_1_0_4 &
83316  )
83317  e_1_1_4 = zeta*( c1*e_0_0_4 &
83318  +c2*e_1_0_4&
83319  +4*e_2_0_4 &
83320  )
83321  e_2_1_4 = zeta*( c1*e_1_0_4 &
83322  +c2*e_2_0_4&
83323  +6*e_3_0_4 &
83324  )
83325  e_3_1_4 = zeta*( c1*e_2_0_4 &
83326  +c2*e_3_0_4&
83327  +8*e_4_0_4 &
83328  )
83329  e_4_1_4 = zeta*( c1*e_3_0_4 &
83330  +c2*e_4_0_4&
83331 
83332  )
83333  e_5_1_4 = zeta*( c1*e_4_0_4 &
83334 
83335 
83336  )
83337  e_0_2_4 = zeta*( &
83338  +c2*e_0_1_4&
83339  +2*e_1_1_4 &
83340  -2*e_0_0_4)
83341  e_1_2_4 = zeta*( c1*e_0_1_4 &
83342  +c2*e_1_1_4&
83343  +4*e_2_1_4 &
83344  -2*e_1_0_4)
83345  e_2_2_4 = zeta*( c1*e_1_1_4 &
83346  +c2*e_2_1_4&
83347  +6*e_3_1_4 &
83348  -2*e_2_0_4)
83349  e_3_2_4 = zeta*( c1*e_2_1_4 &
83350  +c2*e_3_1_4&
83351  +8*e_4_1_4 &
83352  -2*e_3_0_4)
83353  e_4_2_4 = zeta*( c1*e_3_1_4 &
83354  +c2*e_4_1_4&
83355  +10*e_5_1_4 &
83356  -2*e_4_0_4)
83357  e_5_2_4 = zeta*( c1*e_4_1_4 &
83358  +c2*e_5_1_4&
83359 
83360  )
83361  e_6_2_4 = zeta*( c1*e_5_1_4 &
83362 
83363 
83364  )
83365 
83366  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
83367  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
83368  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
83369  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
83370  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
83371  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
83372  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
83373  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
83374  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
83375  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
83376  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
83377  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
83378  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
83379  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
83380  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
83381  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
83382  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
83383  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
83384  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
83385  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
83386  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
83387  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
83388  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
83389  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
83390  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
83391  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
83392  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
83393  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
83394  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
83395  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
83396  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
83397  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
83398  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
83399  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
83400  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
83401  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
83402  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
83403  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
83404  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
83405  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
83406  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
83407  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
83408  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
83409  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
83410  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
83411  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
83412  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
83413  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
83414  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
83415  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
83416  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
83417  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
83418  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
83419  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
83420  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
83421  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
83422  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
83423  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
83424  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
83425  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
83426  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
83427  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
83428  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
83429  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
83430  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
83431  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
83432  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
83433  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
83434  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
83435  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
83436  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
83437  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
83438  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
83439  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
83440  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
83441  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
83442  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
83443  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
83444  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
83445  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
83446  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
83447  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
83448  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
83449  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
83450  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
83451  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
83452  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
83453  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
83454  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
83455  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
83456  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
83457  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
83458  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
83459  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
83460  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
83461  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
83462  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
83463  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
83464  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
83465  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
83466  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
83467  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
83468  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
83469  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
83470  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
83471  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
83472  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
83473  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
83474  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
83475  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
83476  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
83477  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
83478  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
83479  s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
83480  s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
83481  s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
83482  s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
83483  s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
83484  s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
83485  s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
83486  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
83487  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
83488  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
83489  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
83490  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
83491  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
83492  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
83493  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
83494  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
83495  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
83496  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
83497  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
83498  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
83499  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
83500  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
83501  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
83502  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
83503  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
83504  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
83505  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
83506  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
83507  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
83508  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
83509  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
83510  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
83511  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
83512  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
83513  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
83514  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
83515  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
83516  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
83517  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
83518  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
83519  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
83520  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
83521  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
83522  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
83523  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
83524  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
83525  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
83526  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
83527  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
83528  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
83529  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
83530  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
83531  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
83532  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
83533  s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
83534  s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
83535  s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
83536  s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
83537  s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
83538  s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
83539  s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
83540  s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
83541  s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
83542  s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
83543  s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
83544  s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
83545  s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
83546  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
83547  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
83548  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
83549  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
83550  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
83551  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
83552  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
83553  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
83554  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
83555  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
83556  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
83557  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
83558  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
83559  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
83560  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
83561  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
83562  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
83563  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
83564  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
83565  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
83566  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
83567  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
83568  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
83569  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
83570  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
83571  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
83572  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
83573  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
83574  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
83575  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
83576  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
83577  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
83578  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
83579  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
83580  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
83581  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
83582  s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
83583  s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
83584  s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
83585  s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
83586  s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
83587  s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
83588  s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
83589  s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
83590  s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
83591  s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
83592  s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
83593  s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
83594  s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
83595  s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
83596  s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
83597  s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
83598  s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
83599  s_r(2, 4, 3) = s_r(2, 4, 3) + e_0_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
83600  s_r(2, 4, 3) = s_r(2, 4, 3) + e_1_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
83601  s_r(2, 4, 3) = s_r(2, 4, 3) + e_2_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
83602  s_r(2, 4, 3) = s_r(2, 4, 3) + e_3_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
83603  s_r(2, 4, 3) = s_r(2, 4, 3) + e_4_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
83604  s_r(2, 4, 3) = s_r(2, 4, 3) + e_5_2_4*(-1)*s_r_t2_8 ! cost: 5 flops
83605  s_r(2, 4, 3) = s_r(2, 4, 3) + e_6_2_4*(-1)*s_r_t2_9 ! cost: 5 flops
83606  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
83607  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
83608  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
83609  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
83610  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
83611  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
83612  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
83613  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
83614  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
83615  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
83616  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
83617  s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
83618  s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
83619  s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
83620  s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
83621  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
83622  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
83623  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
83624  s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
83625  s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
83626  s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
83627  s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
83628  s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
83629  s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
83630  s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
83631  s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
83632  s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
83633  s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
83634  s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
83635  s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
83636  s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
83637  s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
83638  s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
83639  s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
83640  s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
83641  s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
83642  s_r(2, 3, 4) = s_r(2, 3, 4) + e_0_2_3*(1)*s_r_t2_4 ! cost: 5 flops
83643  s_r(2, 3, 4) = s_r(2, 3, 4) + e_1_2_3*(1)*s_r_t2_5 ! cost: 5 flops
83644  s_r(2, 3, 4) = s_r(2, 3, 4) + e_2_2_3*(1)*s_r_t2_6 ! cost: 5 flops
83645  s_r(2, 3, 4) = s_r(2, 3, 4) + e_3_2_3*(1)*s_r_t2_7 ! cost: 5 flops
83646  s_r(2, 3, 4) = s_r(2, 3, 4) + e_4_2_3*(1)*s_r_t2_8 ! cost: 5 flops
83647  s_r(2, 3, 4) = s_r(2, 3, 4) + e_5_2_3*(1)*s_r_t2_9 ! cost: 5 flops
83648  s_r(0, 4, 4) = s_r(0, 4, 4) + e_0_0_4*(1)*s_r_t2_4 ! cost: 5 flops
83649  s_r(0, 4, 4) = s_r(0, 4, 4) + e_1_0_4*(1)*s_r_t2_5 ! cost: 5 flops
83650  s_r(0, 4, 4) = s_r(0, 4, 4) + e_2_0_4*(1)*s_r_t2_6 ! cost: 5 flops
83651  s_r(0, 4, 4) = s_r(0, 4, 4) + e_3_0_4*(1)*s_r_t2_7 ! cost: 5 flops
83652  s_r(0, 4, 4) = s_r(0, 4, 4) + e_4_0_4*(1)*s_r_t2_8 ! cost: 5 flops
83653  s_r(1, 4, 4) = s_r(1, 4, 4) + e_0_1_4*(1)*s_r_t2_4 ! cost: 5 flops
83654  s_r(1, 4, 4) = s_r(1, 4, 4) + e_1_1_4*(1)*s_r_t2_5 ! cost: 5 flops
83655  s_r(1, 4, 4) = s_r(1, 4, 4) + e_2_1_4*(1)*s_r_t2_6 ! cost: 5 flops
83656  s_r(1, 4, 4) = s_r(1, 4, 4) + e_3_1_4*(1)*s_r_t2_7 ! cost: 5 flops
83657  s_r(1, 4, 4) = s_r(1, 4, 4) + e_4_1_4*(1)*s_r_t2_8 ! cost: 5 flops
83658  s_r(1, 4, 4) = s_r(1, 4, 4) + e_5_1_4*(1)*s_r_t2_9 ! cost: 5 flops
83659  s_r(2, 4, 4) = s_r(2, 4, 4) + e_0_2_4*(1)*s_r_t2_4 ! cost: 5 flops
83660  s_r(2, 4, 4) = s_r(2, 4, 4) + e_1_2_4*(1)*s_r_t2_5 ! cost: 5 flops
83661  s_r(2, 4, 4) = s_r(2, 4, 4) + e_2_2_4*(1)*s_r_t2_6 ! cost: 5 flops
83662  s_r(2, 4, 4) = s_r(2, 4, 4) + e_3_2_4*(1)*s_r_t2_7 ! cost: 5 flops
83663  s_r(2, 4, 4) = s_r(2, 4, 4) + e_4_2_4*(1)*s_r_t2_8 ! cost: 5 flops
83664  s_r(2, 4, 4) = s_r(2, 4, 4) + e_5_2_4*(1)*s_r_t2_9 ! cost: 5 flops
83665  s_r(2, 4, 4) = s_r(2, 4, 4) + e_6_2_4*(1)*s_r_t2_10 ! cost: 5 flops
83666  r1 = r1 + dr
83667  END DO
83668 
83669  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
83670  END SUBROUTINE
83671  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_0_0_exp_1 ( &
83672  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
83673  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
83674  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
83675  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
83676  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
83677  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
83678  r_pow_t, r_tmp, rr1_delta, rr2_delta
83679 
83680  REAL(kind=dp) :: c1, c2, c3
83681  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3
83682  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3
83683  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
83684  & h_to_c_3_3
83685  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0
83686 
83687  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
83688 
83689  dr = lgth
83690  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
83691 
83692  s_r(:, :, :) = 0.0_dp
83693 
83694  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
83695 
83696  h_to_c_0_0 = sqrt(alpha/pi)
83697 
83698  h_to_c_0_1 = 0.0_dp
83699  h_to_c_1_1 = +2*alpha*h_to_c_0_0
83700  h_to_c_0_2 = -1*h_to_c_1_1
83701  h_to_c_1_2 = +2*alpha*h_to_c_0_1
83702  h_to_c_2_2 = +2*alpha*h_to_c_1_1
83703  h_to_c_0_3 = -1*h_to_c_1_2
83704  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
83705  h_to_c_2_3 = +2*alpha*h_to_c_1_2
83706  h_to_c_3_3 = +2*alpha*h_to_c_2_2
83707 
83708  exp_drsq = exp(-alpha*dr*dr)
83709  exp_2drsq = exp_drsq*exp_drsq
83710 
83711  rr1_delta = (ra - rb)/dr
83712 
83713  rr1_l = ceiling(-r_c(1) + rr1_delta)
83714  rr1_r = floor(r_c(1) + rr1_delta)
83715 
83716  r1 = rr1_l*dr
83717 
83718  alpha_e = zeta*zetb/(zeta + zetb)
83719 
83720  DO rr1 = rr1_l, rr1_r
83721  s_r_t_0 = 0.0_dp
83722  s_r_t2_0 = 0.0_dp
83723  s_r_t_1 = 0.0_dp
83724  s_r_t2_1 = 0.0_dp
83725  s_r_t_2 = 0.0_dp
83726  s_r_t2_2 = 0.0_dp
83727  s_r_t_3 = 0.0_dp
83728  s_r_t2_3 = 0.0_dp
83729  r_tmp = r_offset + r1*zeta/(zeta + zetb)
83730  rr2_delta = -r_tmp/dr
83731 
83732  rr2_l = ceiling(-r_c(2) + rr2_delta)
83733  rr2_r = floor(r_c(2) + rr2_delta)
83734 
83735  r = r_tmp + (rr2_l)*dr
83736 
83737  exp2_2rdr = exp(-2*alpha*r*dr)
83738  exp2_rsq = exp(-alpha*r*r)
83739 
83740  DO rr2 = rr2_l, rr2_r
83741  r_pow_t = 1.0_dp
83742  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
83743  r_pow_t = r_pow_t*r
83744  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
83745  r_pow_t = r_pow_t*r
83746  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
83747  r_pow_t = r_pow_t*r
83748  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
83749 
83750  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
83751  exp2_2rdr = exp2_2rdr*exp_2drsq
83752  r = r + dr
83753  END DO
83754 
83755  ! C --> H
83756  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
83757  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
83758  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
83759  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
83760  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
83761  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
83762  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
83763  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
83764  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
83765  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
83766 
83767  ! H --> HH
83768  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
83769 
83770  c1 = 1.0_dp/(zeta + zetb)
83771  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
83772  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
83773 
83774  e_0_1_0 = zeta*( &
83775  +c2*e_0_0_0&
83776 
83777  )
83778  e_1_1_0 = zeta*( c1*e_0_0_0 &
83779 
83780 
83781  )
83782  e_0_2_0 = zeta*( &
83783  +c2*e_0_1_0&
83784  +2*e_1_1_0 &
83785  -2*e_0_0_0)
83786  e_1_2_0 = zeta*( c1*e_0_1_0 &
83787  +c2*e_1_1_0&
83788 
83789  )
83790  e_2_2_0 = zeta*( c1*e_1_1_0 &
83791 
83792 
83793  )
83794  e_0_3_0 = zeta*( &
83795  +c2*e_0_2_0&
83796  +2*e_1_2_0 &
83797  -4*e_0_1_0)
83798  e_1_3_0 = zeta*( c1*e_0_2_0 &
83799  +c2*e_1_2_0&
83800  +4*e_2_2_0 &
83801  -4*e_1_1_0)
83802  e_2_3_0 = zeta*( c1*e_1_2_0 &
83803  +c2*e_2_2_0&
83804 
83805  )
83806  e_3_3_0 = zeta*( c1*e_2_2_0 &
83807 
83808 
83809  )
83810 
83811  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
83812  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
83813  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
83814  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
83815  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
83816  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
83817  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
83818  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
83819  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
83820  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
83821  r1 = r1 + dr
83822  END DO
83823 
83824  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
83825  END SUBROUTINE
83826  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_0_1_exp_1 ( &
83827  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
83828  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
83829  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
83830  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
83831  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
83832  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
83833  r_pow_t, r_tmp, rr1_delta, rr2_delta
83834 
83835  REAL(kind=dp) :: c1, c2, c3
83836  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
83837  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
83838  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
83839  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
83840  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0
83841 
83842  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
83843 
83844  dr = lgth
83845  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
83846 
83847  s_r(:, :, :) = 0.0_dp
83848 
83849  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
83850 
83851  h_to_c_0_0 = sqrt(alpha/pi)
83852 
83853  h_to_c_0_1 = 0.0_dp
83854  h_to_c_1_1 = +2*alpha*h_to_c_0_0
83855  h_to_c_0_2 = -1*h_to_c_1_1
83856  h_to_c_1_2 = +2*alpha*h_to_c_0_1
83857  h_to_c_2_2 = +2*alpha*h_to_c_1_1
83858  h_to_c_0_3 = -1*h_to_c_1_2
83859  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
83860  h_to_c_2_3 = +2*alpha*h_to_c_1_2
83861  h_to_c_3_3 = +2*alpha*h_to_c_2_2
83862  h_to_c_0_4 = -1*h_to_c_1_3
83863  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
83864  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
83865  h_to_c_3_4 = +2*alpha*h_to_c_2_3
83866  h_to_c_4_4 = +2*alpha*h_to_c_3_3
83867 
83868  exp_drsq = exp(-alpha*dr*dr)
83869  exp_2drsq = exp_drsq*exp_drsq
83870 
83871  rr1_delta = (ra - rb)/dr
83872 
83873  rr1_l = ceiling(-r_c(1) + rr1_delta)
83874  rr1_r = floor(r_c(1) + rr1_delta)
83875 
83876  r1 = rr1_l*dr
83877 
83878  alpha_e = zeta*zetb/(zeta + zetb)
83879 
83880  DO rr1 = rr1_l, rr1_r
83881  s_r_t_0 = 0.0_dp
83882  s_r_t2_0 = 0.0_dp
83883  s_r_t_1 = 0.0_dp
83884  s_r_t2_1 = 0.0_dp
83885  s_r_t_2 = 0.0_dp
83886  s_r_t2_2 = 0.0_dp
83887  s_r_t_3 = 0.0_dp
83888  s_r_t2_3 = 0.0_dp
83889  s_r_t_4 = 0.0_dp
83890  s_r_t2_4 = 0.0_dp
83891  r_tmp = r_offset + r1*zeta/(zeta + zetb)
83892  rr2_delta = -r_tmp/dr
83893 
83894  rr2_l = ceiling(-r_c(2) + rr2_delta)
83895  rr2_r = floor(r_c(2) + rr2_delta)
83896 
83897  r = r_tmp + (rr2_l)*dr
83898 
83899  exp2_2rdr = exp(-2*alpha*r*dr)
83900  exp2_rsq = exp(-alpha*r*r)
83901 
83902  DO rr2 = rr2_l, rr2_r
83903  r_pow_t = 1.0_dp
83904  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
83905  r_pow_t = r_pow_t*r
83906  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
83907  r_pow_t = r_pow_t*r
83908  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
83909  r_pow_t = r_pow_t*r
83910  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
83911  r_pow_t = r_pow_t*r
83912  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
83913 
83914  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
83915  exp2_2rdr = exp2_2rdr*exp_2drsq
83916  r = r + dr
83917  END DO
83918 
83919  ! C --> H
83920  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
83921  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
83922  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
83923  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
83924  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
83925  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
83926  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
83927  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
83928  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
83929  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
83930  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
83931  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
83932  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
83933  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
83934  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
83935 
83936  ! H --> HH
83937  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
83938 
83939  c1 = 1.0_dp/(zeta + zetb)
83940  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
83941  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
83942 
83943  e_0_1_0 = zeta*( &
83944  +c2*e_0_0_0&
83945 
83946  )
83947  e_1_1_0 = zeta*( c1*e_0_0_0 &
83948 
83949 
83950  )
83951  e_0_2_0 = zeta*( &
83952  +c2*e_0_1_0&
83953  +2*e_1_1_0 &
83954  -2*e_0_0_0)
83955  e_1_2_0 = zeta*( c1*e_0_1_0 &
83956  +c2*e_1_1_0&
83957 
83958  )
83959  e_2_2_0 = zeta*( c1*e_1_1_0 &
83960 
83961 
83962  )
83963  e_0_3_0 = zeta*( &
83964  +c2*e_0_2_0&
83965  +2*e_1_2_0 &
83966  -4*e_0_1_0)
83967  e_1_3_0 = zeta*( c1*e_0_2_0 &
83968  +c2*e_1_2_0&
83969  +4*e_2_2_0 &
83970  -4*e_1_1_0)
83971  e_2_3_0 = zeta*( c1*e_1_2_0 &
83972  +c2*e_2_2_0&
83973 
83974  )
83975  e_3_3_0 = zeta*( c1*e_2_2_0 &
83976 
83977 
83978  )
83979 
83980  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
83981  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
83982  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
83983  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
83984  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
83985  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
83986  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
83987  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
83988  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
83989  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
83990  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
83991  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
83992  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
83993  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
83994  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
83995  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
83996  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
83997  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
83998  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
83999  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
84000  r1 = r1 + dr
84001  END DO
84002 
84003  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
84004  END SUBROUTINE
84005  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_0_2_exp_1 ( &
84006  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
84007  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
84008  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
84009  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
84010  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
84011  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
84012  r_pow_t, r_tmp, rr1_delta, rr2_delta
84013 
84014  REAL(kind=dp) :: c1, c2, c3
84015  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
84016  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
84017  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
84018  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
84019  & h_to_c_4_5, h_to_c_5_5
84020  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0
84021 
84022  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
84023 
84024  dr = lgth
84025  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
84026 
84027  s_r(:, :, :) = 0.0_dp
84028 
84029  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
84030 
84031  h_to_c_0_0 = sqrt(alpha/pi)
84032 
84033  h_to_c_0_1 = 0.0_dp
84034  h_to_c_1_1 = +2*alpha*h_to_c_0_0
84035  h_to_c_0_2 = -1*h_to_c_1_1
84036  h_to_c_1_2 = +2*alpha*h_to_c_0_1
84037  h_to_c_2_2 = +2*alpha*h_to_c_1_1
84038  h_to_c_0_3 = -1*h_to_c_1_2
84039  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
84040  h_to_c_2_3 = +2*alpha*h_to_c_1_2
84041  h_to_c_3_3 = +2*alpha*h_to_c_2_2
84042  h_to_c_0_4 = -1*h_to_c_1_3
84043  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
84044  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
84045  h_to_c_3_4 = +2*alpha*h_to_c_2_3
84046  h_to_c_4_4 = +2*alpha*h_to_c_3_3
84047  h_to_c_0_5 = -1*h_to_c_1_4
84048  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
84049  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
84050  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
84051  h_to_c_4_5 = +2*alpha*h_to_c_3_4
84052  h_to_c_5_5 = +2*alpha*h_to_c_4_4
84053 
84054  exp_drsq = exp(-alpha*dr*dr)
84055  exp_2drsq = exp_drsq*exp_drsq
84056 
84057  rr1_delta = (ra - rb)/dr
84058 
84059  rr1_l = ceiling(-r_c(1) + rr1_delta)
84060  rr1_r = floor(r_c(1) + rr1_delta)
84061 
84062  r1 = rr1_l*dr
84063 
84064  alpha_e = zeta*zetb/(zeta + zetb)
84065 
84066  DO rr1 = rr1_l, rr1_r
84067  s_r_t_0 = 0.0_dp
84068  s_r_t2_0 = 0.0_dp
84069  s_r_t_1 = 0.0_dp
84070  s_r_t2_1 = 0.0_dp
84071  s_r_t_2 = 0.0_dp
84072  s_r_t2_2 = 0.0_dp
84073  s_r_t_3 = 0.0_dp
84074  s_r_t2_3 = 0.0_dp
84075  s_r_t_4 = 0.0_dp
84076  s_r_t2_4 = 0.0_dp
84077  s_r_t_5 = 0.0_dp
84078  s_r_t2_5 = 0.0_dp
84079  r_tmp = r_offset + r1*zeta/(zeta + zetb)
84080  rr2_delta = -r_tmp/dr
84081 
84082  rr2_l = ceiling(-r_c(2) + rr2_delta)
84083  rr2_r = floor(r_c(2) + rr2_delta)
84084 
84085  r = r_tmp + (rr2_l)*dr
84086 
84087  exp2_2rdr = exp(-2*alpha*r*dr)
84088  exp2_rsq = exp(-alpha*r*r)
84089 
84090  DO rr2 = rr2_l, rr2_r
84091  r_pow_t = 1.0_dp
84092  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
84093  r_pow_t = r_pow_t*r
84094  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
84095  r_pow_t = r_pow_t*r
84096  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
84097  r_pow_t = r_pow_t*r
84098  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
84099  r_pow_t = r_pow_t*r
84100  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
84101  r_pow_t = r_pow_t*r
84102  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
84103 
84104  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
84105  exp2_2rdr = exp2_2rdr*exp_2drsq
84106  r = r + dr
84107  END DO
84108 
84109  ! C --> H
84110  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
84111  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
84112  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
84113  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
84114  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
84115  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
84116  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
84117  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
84118  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
84119  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
84120  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
84121  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
84122  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
84123  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
84124  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
84125  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
84126  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
84127  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
84128  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
84129  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
84130  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
84131 
84132  ! H --> HH
84133  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
84134 
84135  c1 = 1.0_dp/(zeta + zetb)
84136  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
84137  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
84138 
84139  e_0_1_0 = zeta*( &
84140  +c2*e_0_0_0&
84141 
84142  )
84143  e_1_1_0 = zeta*( c1*e_0_0_0 &
84144 
84145 
84146  )
84147  e_0_2_0 = zeta*( &
84148  +c2*e_0_1_0&
84149  +2*e_1_1_0 &
84150  -2*e_0_0_0)
84151  e_1_2_0 = zeta*( c1*e_0_1_0 &
84152  +c2*e_1_1_0&
84153 
84154  )
84155  e_2_2_0 = zeta*( c1*e_1_1_0 &
84156 
84157 
84158  )
84159  e_0_3_0 = zeta*( &
84160  +c2*e_0_2_0&
84161  +2*e_1_2_0 &
84162  -4*e_0_1_0)
84163  e_1_3_0 = zeta*( c1*e_0_2_0 &
84164  +c2*e_1_2_0&
84165  +4*e_2_2_0 &
84166  -4*e_1_1_0)
84167  e_2_3_0 = zeta*( c1*e_1_2_0 &
84168  +c2*e_2_2_0&
84169 
84170  )
84171  e_3_3_0 = zeta*( c1*e_2_2_0 &
84172 
84173 
84174  )
84175 
84176  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
84177  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
84178  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
84179  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
84180  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
84181  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
84182  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
84183  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
84184  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
84185  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
84186  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
84187  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
84188  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
84189  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
84190  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
84191  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
84192  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
84193  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
84194  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
84195  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
84196  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
84197  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
84198  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
84199  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
84200  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
84201  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
84202  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
84203  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
84204  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
84205  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
84206  r1 = r1 + dr
84207  END DO
84208 
84209  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
84210  END SUBROUTINE
84211  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_0_3_exp_1 ( &
84212  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
84213  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
84214  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
84215  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
84216  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
84217  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
84218  r_pow_t, r_tmp, rr1_delta, rr2_delta
84219 
84220  REAL(kind=dp) :: c1, c2, c3
84221  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
84222  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
84223  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
84224  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
84225  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
84226  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0
84227 
84228  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
84229 
84230  dr = lgth
84231  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
84232 
84233  s_r(:, :, :) = 0.0_dp
84234 
84235  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
84236 
84237  h_to_c_0_0 = sqrt(alpha/pi)
84238 
84239  h_to_c_0_1 = 0.0_dp
84240  h_to_c_1_1 = +2*alpha*h_to_c_0_0
84241  h_to_c_0_2 = -1*h_to_c_1_1
84242  h_to_c_1_2 = +2*alpha*h_to_c_0_1
84243  h_to_c_2_2 = +2*alpha*h_to_c_1_1
84244  h_to_c_0_3 = -1*h_to_c_1_2
84245  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
84246  h_to_c_2_3 = +2*alpha*h_to_c_1_2
84247  h_to_c_3_3 = +2*alpha*h_to_c_2_2
84248  h_to_c_0_4 = -1*h_to_c_1_3
84249  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
84250  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
84251  h_to_c_3_4 = +2*alpha*h_to_c_2_3
84252  h_to_c_4_4 = +2*alpha*h_to_c_3_3
84253  h_to_c_0_5 = -1*h_to_c_1_4
84254  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
84255  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
84256  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
84257  h_to_c_4_5 = +2*alpha*h_to_c_3_4
84258  h_to_c_5_5 = +2*alpha*h_to_c_4_4
84259  h_to_c_0_6 = -1*h_to_c_1_5
84260  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
84261  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
84262  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
84263  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
84264  h_to_c_5_6 = +2*alpha*h_to_c_4_5
84265  h_to_c_6_6 = +2*alpha*h_to_c_5_5
84266 
84267  exp_drsq = exp(-alpha*dr*dr)
84268  exp_2drsq = exp_drsq*exp_drsq
84269 
84270  rr1_delta = (ra - rb)/dr
84271 
84272  rr1_l = ceiling(-r_c(1) + rr1_delta)
84273  rr1_r = floor(r_c(1) + rr1_delta)
84274 
84275  r1 = rr1_l*dr
84276 
84277  alpha_e = zeta*zetb/(zeta + zetb)
84278 
84279  DO rr1 = rr1_l, rr1_r
84280  s_r_t_0 = 0.0_dp
84281  s_r_t2_0 = 0.0_dp
84282  s_r_t_1 = 0.0_dp
84283  s_r_t2_1 = 0.0_dp
84284  s_r_t_2 = 0.0_dp
84285  s_r_t2_2 = 0.0_dp
84286  s_r_t_3 = 0.0_dp
84287  s_r_t2_3 = 0.0_dp
84288  s_r_t_4 = 0.0_dp
84289  s_r_t2_4 = 0.0_dp
84290  s_r_t_5 = 0.0_dp
84291  s_r_t2_5 = 0.0_dp
84292  s_r_t_6 = 0.0_dp
84293  s_r_t2_6 = 0.0_dp
84294  r_tmp = r_offset + r1*zeta/(zeta + zetb)
84295  rr2_delta = -r_tmp/dr
84296 
84297  rr2_l = ceiling(-r_c(2) + rr2_delta)
84298  rr2_r = floor(r_c(2) + rr2_delta)
84299 
84300  r = r_tmp + (rr2_l)*dr
84301 
84302  exp2_2rdr = exp(-2*alpha*r*dr)
84303  exp2_rsq = exp(-alpha*r*r)
84304 
84305  DO rr2 = rr2_l, rr2_r
84306  r_pow_t = 1.0_dp
84307  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
84308  r_pow_t = r_pow_t*r
84309  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
84310  r_pow_t = r_pow_t*r
84311  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
84312  r_pow_t = r_pow_t*r
84313  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
84314  r_pow_t = r_pow_t*r
84315  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
84316  r_pow_t = r_pow_t*r
84317  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
84318  r_pow_t = r_pow_t*r
84319  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
84320 
84321  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
84322  exp2_2rdr = exp2_2rdr*exp_2drsq
84323  r = r + dr
84324  END DO
84325 
84326  ! C --> H
84327  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
84328  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
84329  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
84330  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
84331  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
84332  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
84333  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
84334  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
84335  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
84336  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
84337  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
84338  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
84339  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
84340  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
84341  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
84342  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
84343  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
84344  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
84345  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
84346  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
84347  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
84348  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
84349  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
84350  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
84351  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
84352  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
84353  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
84354  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
84355 
84356  ! H --> HH
84357  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
84358 
84359  c1 = 1.0_dp/(zeta + zetb)
84360  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
84361  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
84362 
84363  e_0_1_0 = zeta*( &
84364  +c2*e_0_0_0&
84365 
84366  )
84367  e_1_1_0 = zeta*( c1*e_0_0_0 &
84368 
84369 
84370  )
84371  e_0_2_0 = zeta*( &
84372  +c2*e_0_1_0&
84373  +2*e_1_1_0 &
84374  -2*e_0_0_0)
84375  e_1_2_0 = zeta*( c1*e_0_1_0 &
84376  +c2*e_1_1_0&
84377 
84378  )
84379  e_2_2_0 = zeta*( c1*e_1_1_0 &
84380 
84381 
84382  )
84383  e_0_3_0 = zeta*( &
84384  +c2*e_0_2_0&
84385  +2*e_1_2_0 &
84386  -4*e_0_1_0)
84387  e_1_3_0 = zeta*( c1*e_0_2_0 &
84388  +c2*e_1_2_0&
84389  +4*e_2_2_0 &
84390  -4*e_1_1_0)
84391  e_2_3_0 = zeta*( c1*e_1_2_0 &
84392  +c2*e_2_2_0&
84393 
84394  )
84395  e_3_3_0 = zeta*( c1*e_2_2_0 &
84396 
84397 
84398  )
84399 
84400  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
84401  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
84402  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
84403  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
84404  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
84405  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
84406  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
84407  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
84408  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
84409  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
84410  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
84411  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
84412  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
84413  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
84414  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
84415  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
84416  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
84417  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
84418  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
84419  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
84420  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
84421  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
84422  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
84423  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
84424  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
84425  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
84426  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
84427  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
84428  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
84429  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
84430  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
84431  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
84432  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
84433  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
84434  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
84435  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
84436  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
84437  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
84438  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
84439  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
84440  r1 = r1 + dr
84441  END DO
84442 
84443  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
84444  END SUBROUTINE
84445  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_0_4_exp_1 ( &
84446  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
84447  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
84448  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
84449  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
84450  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
84451  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
84452  r_pow_t, r_tmp, rr1_delta, rr2_delta
84453 
84454  REAL(kind=dp) :: c1, c2, c3
84455  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
84456  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
84457  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
84458  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
84459  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
84460  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
84461  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0
84462 
84463  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
84464 
84465  dr = lgth
84466  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
84467 
84468  s_r(:, :, :) = 0.0_dp
84469 
84470  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
84471 
84472  h_to_c_0_0 = sqrt(alpha/pi)
84473 
84474  h_to_c_0_1 = 0.0_dp
84475  h_to_c_1_1 = +2*alpha*h_to_c_0_0
84476  h_to_c_0_2 = -1*h_to_c_1_1
84477  h_to_c_1_2 = +2*alpha*h_to_c_0_1
84478  h_to_c_2_2 = +2*alpha*h_to_c_1_1
84479  h_to_c_0_3 = -1*h_to_c_1_2
84480  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
84481  h_to_c_2_3 = +2*alpha*h_to_c_1_2
84482  h_to_c_3_3 = +2*alpha*h_to_c_2_2
84483  h_to_c_0_4 = -1*h_to_c_1_3
84484  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
84485  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
84486  h_to_c_3_4 = +2*alpha*h_to_c_2_3
84487  h_to_c_4_4 = +2*alpha*h_to_c_3_3
84488  h_to_c_0_5 = -1*h_to_c_1_4
84489  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
84490  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
84491  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
84492  h_to_c_4_5 = +2*alpha*h_to_c_3_4
84493  h_to_c_5_5 = +2*alpha*h_to_c_4_4
84494  h_to_c_0_6 = -1*h_to_c_1_5
84495  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
84496  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
84497  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
84498  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
84499  h_to_c_5_6 = +2*alpha*h_to_c_4_5
84500  h_to_c_6_6 = +2*alpha*h_to_c_5_5
84501  h_to_c_0_7 = -1*h_to_c_1_6
84502  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
84503  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
84504  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
84505  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
84506  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
84507  h_to_c_6_7 = +2*alpha*h_to_c_5_6
84508  h_to_c_7_7 = +2*alpha*h_to_c_6_6
84509 
84510  exp_drsq = exp(-alpha*dr*dr)
84511  exp_2drsq = exp_drsq*exp_drsq
84512 
84513  rr1_delta = (ra - rb)/dr
84514 
84515  rr1_l = ceiling(-r_c(1) + rr1_delta)
84516  rr1_r = floor(r_c(1) + rr1_delta)
84517 
84518  r1 = rr1_l*dr
84519 
84520  alpha_e = zeta*zetb/(zeta + zetb)
84521 
84522  DO rr1 = rr1_l, rr1_r
84523  s_r_t_0 = 0.0_dp
84524  s_r_t2_0 = 0.0_dp
84525  s_r_t_1 = 0.0_dp
84526  s_r_t2_1 = 0.0_dp
84527  s_r_t_2 = 0.0_dp
84528  s_r_t2_2 = 0.0_dp
84529  s_r_t_3 = 0.0_dp
84530  s_r_t2_3 = 0.0_dp
84531  s_r_t_4 = 0.0_dp
84532  s_r_t2_4 = 0.0_dp
84533  s_r_t_5 = 0.0_dp
84534  s_r_t2_5 = 0.0_dp
84535  s_r_t_6 = 0.0_dp
84536  s_r_t2_6 = 0.0_dp
84537  s_r_t_7 = 0.0_dp
84538  s_r_t2_7 = 0.0_dp
84539  r_tmp = r_offset + r1*zeta/(zeta + zetb)
84540  rr2_delta = -r_tmp/dr
84541 
84542  rr2_l = ceiling(-r_c(2) + rr2_delta)
84543  rr2_r = floor(r_c(2) + rr2_delta)
84544 
84545  r = r_tmp + (rr2_l)*dr
84546 
84547  exp2_2rdr = exp(-2*alpha*r*dr)
84548  exp2_rsq = exp(-alpha*r*r)
84549 
84550  DO rr2 = rr2_l, rr2_r
84551  r_pow_t = 1.0_dp
84552  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
84553  r_pow_t = r_pow_t*r
84554  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
84555  r_pow_t = r_pow_t*r
84556  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
84557  r_pow_t = r_pow_t*r
84558  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
84559  r_pow_t = r_pow_t*r
84560  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
84561  r_pow_t = r_pow_t*r
84562  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
84563  r_pow_t = r_pow_t*r
84564  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
84565  r_pow_t = r_pow_t*r
84566  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
84567 
84568  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
84569  exp2_2rdr = exp2_2rdr*exp_2drsq
84570  r = r + dr
84571  END DO
84572 
84573  ! C --> H
84574  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
84575  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
84576  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
84577  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
84578  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
84579  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
84580  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
84581  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
84582  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
84583  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
84584  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
84585  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
84586  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
84587  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
84588  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
84589  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
84590  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
84591  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
84592  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
84593  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
84594  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
84595  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
84596  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
84597  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
84598  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
84599  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
84600  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
84601  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
84602  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
84603  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
84604  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
84605  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
84606  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
84607  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
84608  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
84609  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
84610 
84611  ! H --> HH
84612  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
84613 
84614  c1 = 1.0_dp/(zeta + zetb)
84615  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
84616  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
84617 
84618  e_0_1_0 = zeta*( &
84619  +c2*e_0_0_0&
84620 
84621  )
84622  e_1_1_0 = zeta*( c1*e_0_0_0 &
84623 
84624 
84625  )
84626  e_0_2_0 = zeta*( &
84627  +c2*e_0_1_0&
84628  +2*e_1_1_0 &
84629  -2*e_0_0_0)
84630  e_1_2_0 = zeta*( c1*e_0_1_0 &
84631  +c2*e_1_1_0&
84632 
84633  )
84634  e_2_2_0 = zeta*( c1*e_1_1_0 &
84635 
84636 
84637  )
84638  e_0_3_0 = zeta*( &
84639  +c2*e_0_2_0&
84640  +2*e_1_2_0 &
84641  -4*e_0_1_0)
84642  e_1_3_0 = zeta*( c1*e_0_2_0 &
84643  +c2*e_1_2_0&
84644  +4*e_2_2_0 &
84645  -4*e_1_1_0)
84646  e_2_3_0 = zeta*( c1*e_1_2_0 &
84647  +c2*e_2_2_0&
84648 
84649  )
84650  e_3_3_0 = zeta*( c1*e_2_2_0 &
84651 
84652 
84653  )
84654 
84655  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
84656  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
84657  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
84658  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
84659  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
84660  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
84661  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
84662  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
84663  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
84664  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
84665  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
84666  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
84667  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
84668  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
84669  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
84670  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
84671  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
84672  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
84673  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
84674  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
84675  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
84676  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
84677  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
84678  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
84679  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
84680  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
84681  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
84682  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
84683  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
84684  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
84685  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
84686  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
84687  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
84688  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
84689  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
84690  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
84691  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
84692  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
84693  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
84694  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
84695  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
84696  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
84697  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
84698  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
84699  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
84700  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
84701  s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
84702  s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
84703  s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
84704  s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
84705  r1 = r1 + dr
84706  END DO
84707 
84708  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
84709  END SUBROUTINE
84710  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_1_0_exp_1 ( &
84711  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
84712  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
84713  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
84714  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
84715  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
84716  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
84717  r_pow_t, r_tmp, rr1_delta, rr2_delta
84718 
84719  REAL(kind=dp) :: c1, c2, c3
84720  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
84721  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
84722  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
84723  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
84724  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
84725  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1
84726 
84727  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
84728 
84729  dr = lgth
84730  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
84731 
84732  s_r(:, :, :) = 0.0_dp
84733 
84734  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
84735 
84736  h_to_c_0_0 = sqrt(alpha/pi)
84737 
84738  h_to_c_0_1 = 0.0_dp
84739  h_to_c_1_1 = +2*alpha*h_to_c_0_0
84740  h_to_c_0_2 = -1*h_to_c_1_1
84741  h_to_c_1_2 = +2*alpha*h_to_c_0_1
84742  h_to_c_2_2 = +2*alpha*h_to_c_1_1
84743  h_to_c_0_3 = -1*h_to_c_1_2
84744  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
84745  h_to_c_2_3 = +2*alpha*h_to_c_1_2
84746  h_to_c_3_3 = +2*alpha*h_to_c_2_2
84747  h_to_c_0_4 = -1*h_to_c_1_3
84748  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
84749  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
84750  h_to_c_3_4 = +2*alpha*h_to_c_2_3
84751  h_to_c_4_4 = +2*alpha*h_to_c_3_3
84752 
84753  exp_drsq = exp(-alpha*dr*dr)
84754  exp_2drsq = exp_drsq*exp_drsq
84755 
84756  rr1_delta = (ra - rb)/dr
84757 
84758  rr1_l = ceiling(-r_c(1) + rr1_delta)
84759  rr1_r = floor(r_c(1) + rr1_delta)
84760 
84761  r1 = rr1_l*dr
84762 
84763  alpha_e = zeta*zetb/(zeta + zetb)
84764 
84765  DO rr1 = rr1_l, rr1_r
84766  s_r_t_0 = 0.0_dp
84767  s_r_t2_0 = 0.0_dp
84768  s_r_t_1 = 0.0_dp
84769  s_r_t2_1 = 0.0_dp
84770  s_r_t_2 = 0.0_dp
84771  s_r_t2_2 = 0.0_dp
84772  s_r_t_3 = 0.0_dp
84773  s_r_t2_3 = 0.0_dp
84774  s_r_t_4 = 0.0_dp
84775  s_r_t2_4 = 0.0_dp
84776  r_tmp = r_offset + r1*zeta/(zeta + zetb)
84777  rr2_delta = -r_tmp/dr
84778 
84779  rr2_l = ceiling(-r_c(2) + rr2_delta)
84780  rr2_r = floor(r_c(2) + rr2_delta)
84781 
84782  r = r_tmp + (rr2_l)*dr
84783 
84784  exp2_2rdr = exp(-2*alpha*r*dr)
84785  exp2_rsq = exp(-alpha*r*r)
84786 
84787  DO rr2 = rr2_l, rr2_r
84788  r_pow_t = 1.0_dp
84789  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
84790  r_pow_t = r_pow_t*r
84791  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
84792  r_pow_t = r_pow_t*r
84793  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
84794  r_pow_t = r_pow_t*r
84795  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
84796  r_pow_t = r_pow_t*r
84797  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
84798 
84799  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
84800  exp2_2rdr = exp2_2rdr*exp_2drsq
84801  r = r + dr
84802  END DO
84803 
84804  ! C --> H
84805  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
84806  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
84807  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
84808  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
84809  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
84810  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
84811  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
84812  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
84813  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
84814  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
84815  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
84816  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
84817  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
84818  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
84819  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
84820 
84821  ! H --> HH
84822  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
84823 
84824  c1 = 1.0_dp/(zeta + zetb)
84825  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
84826  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
84827 
84828  e_0_1_0 = zeta*( &
84829  +c2*e_0_0_0&
84830 
84831  )
84832  e_0_0_1 = zetb*( &
84833  +c3*e_0_0_0&
84834 
84835  )
84836  e_1_1_0 = zeta*( c1*e_0_0_0 &
84837 
84838 
84839  )
84840  e_1_0_1 = zetb*( c1*e_0_0_0 &
84841 
84842 
84843  )
84844  e_0_2_0 = zeta*( &
84845  +c2*e_0_1_0&
84846  +2*e_1_1_0 &
84847  -2*e_0_0_0)
84848  e_0_1_1 = zetb*( &
84849  +c3*e_0_1_0&
84850  +2*e_1_1_0 &
84851  )
84852  e_1_2_0 = zeta*( c1*e_0_1_0 &
84853  +c2*e_1_1_0&
84854 
84855  )
84856  e_1_1_1 = zetb*( c1*e_0_1_0 &
84857  +c3*e_1_1_0&
84858 
84859  )
84860  e_2_2_0 = zeta*( c1*e_1_1_0 &
84861 
84862 
84863  )
84864  e_2_1_1 = zetb*( c1*e_1_1_0 &
84865 
84866 
84867  )
84868  e_0_3_0 = zeta*( &
84869  +c2*e_0_2_0&
84870  +2*e_1_2_0 &
84871  -4*e_0_1_0)
84872  e_0_2_1 = zetb*( &
84873  +c3*e_0_2_0&
84874  +2*e_1_2_0 &
84875  )
84876  e_1_3_0 = zeta*( c1*e_0_2_0 &
84877  +c2*e_1_2_0&
84878  +4*e_2_2_0 &
84879  -4*e_1_1_0)
84880  e_1_2_1 = zetb*( c1*e_0_2_0 &
84881  +c3*e_1_2_0&
84882  +4*e_2_2_0 &
84883  )
84884  e_2_3_0 = zeta*( c1*e_1_2_0 &
84885  +c2*e_2_2_0&
84886 
84887  )
84888  e_2_2_1 = zetb*( c1*e_1_2_0 &
84889  +c3*e_2_2_0&
84890 
84891  )
84892  e_3_3_0 = zeta*( c1*e_2_2_0 &
84893 
84894 
84895  )
84896  e_3_2_1 = zetb*( c1*e_2_2_0 &
84897 
84898 
84899  )
84900  e_0_3_1 = zetb*( &
84901  +c3*e_0_3_0&
84902  +2*e_1_3_0 &
84903  )
84904  e_1_3_1 = zetb*( c1*e_0_3_0 &
84905  +c3*e_1_3_0&
84906  +4*e_2_3_0 &
84907  )
84908  e_2_3_1 = zetb*( c1*e_1_3_0 &
84909  +c3*e_2_3_0&
84910  +6*e_3_3_0 &
84911  )
84912  e_3_3_1 = zetb*( c1*e_2_3_0 &
84913  +c3*e_3_3_0&
84914 
84915  )
84916  e_4_3_1 = zetb*( c1*e_3_3_0 &
84917 
84918 
84919  )
84920  e_0_1_1 = zeta*( &
84921  +c2*e_0_0_1&
84922  +2*e_1_0_1 &
84923  )
84924  e_1_1_1 = zeta*( c1*e_0_0_1 &
84925  +c2*e_1_0_1&
84926 
84927  )
84928  e_2_1_1 = zeta*( c1*e_1_0_1 &
84929 
84930 
84931  )
84932  e_0_2_1 = zeta*( &
84933  +c2*e_0_1_1&
84934  +2*e_1_1_1 &
84935  -2*e_0_0_1)
84936  e_1_2_1 = zeta*( c1*e_0_1_1 &
84937  +c2*e_1_1_1&
84938  +4*e_2_1_1 &
84939  -2*e_1_0_1)
84940  e_2_2_1 = zeta*( c1*e_1_1_1 &
84941  +c2*e_2_1_1&
84942 
84943  )
84944  e_3_2_1 = zeta*( c1*e_2_1_1 &
84945 
84946 
84947  )
84948  e_0_3_1 = zeta*( &
84949  +c2*e_0_2_1&
84950  +2*e_1_2_1 &
84951  -4*e_0_1_1)
84952  e_1_3_1 = zeta*( c1*e_0_2_1 &
84953  +c2*e_1_2_1&
84954  +4*e_2_2_1 &
84955  -4*e_1_1_1)
84956  e_2_3_1 = zeta*( c1*e_1_2_1 &
84957  +c2*e_2_2_1&
84958  +6*e_3_2_1 &
84959  -4*e_2_1_1)
84960  e_3_3_1 = zeta*( c1*e_2_2_1 &
84961  +c2*e_3_2_1&
84962 
84963  )
84964  e_4_3_1 = zeta*( c1*e_3_2_1 &
84965 
84966 
84967  )
84968 
84969  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
84970  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
84971  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
84972  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
84973  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
84974  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
84975  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
84976  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
84977  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
84978  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
84979  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
84980  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
84981  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
84982  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
84983  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
84984  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
84985  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
84986  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
84987  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
84988  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
84989  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
84990  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
84991  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
84992  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
84993  r1 = r1 + dr
84994  END DO
84995 
84996  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
84997  END SUBROUTINE
84998  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_1_1_exp_1 ( &
84999  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
85000  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
85001  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
85002  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
85003  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
85004  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
85005  r_pow_t, r_tmp, rr1_delta, rr2_delta
85006 
85007  REAL(kind=dp) :: c1, c2, c3
85008  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
85009  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
85010  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
85011  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
85012  & h_to_c_4_5, h_to_c_5_5
85013  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
85014  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1
85015 
85016  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
85017 
85018  dr = lgth
85019  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
85020 
85021  s_r(:, :, :) = 0.0_dp
85022 
85023  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
85024 
85025  h_to_c_0_0 = sqrt(alpha/pi)
85026 
85027  h_to_c_0_1 = 0.0_dp
85028  h_to_c_1_1 = +2*alpha*h_to_c_0_0
85029  h_to_c_0_2 = -1*h_to_c_1_1
85030  h_to_c_1_2 = +2*alpha*h_to_c_0_1
85031  h_to_c_2_2 = +2*alpha*h_to_c_1_1
85032  h_to_c_0_3 = -1*h_to_c_1_2
85033  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
85034  h_to_c_2_3 = +2*alpha*h_to_c_1_2
85035  h_to_c_3_3 = +2*alpha*h_to_c_2_2
85036  h_to_c_0_4 = -1*h_to_c_1_3
85037  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
85038  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
85039  h_to_c_3_4 = +2*alpha*h_to_c_2_3
85040  h_to_c_4_4 = +2*alpha*h_to_c_3_3
85041  h_to_c_0_5 = -1*h_to_c_1_4
85042  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
85043  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
85044  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
85045  h_to_c_4_5 = +2*alpha*h_to_c_3_4
85046  h_to_c_5_5 = +2*alpha*h_to_c_4_4
85047 
85048  exp_drsq = exp(-alpha*dr*dr)
85049  exp_2drsq = exp_drsq*exp_drsq
85050 
85051  rr1_delta = (ra - rb)/dr
85052 
85053  rr1_l = ceiling(-r_c(1) + rr1_delta)
85054  rr1_r = floor(r_c(1) + rr1_delta)
85055 
85056  r1 = rr1_l*dr
85057 
85058  alpha_e = zeta*zetb/(zeta + zetb)
85059 
85060  DO rr1 = rr1_l, rr1_r
85061  s_r_t_0 = 0.0_dp
85062  s_r_t2_0 = 0.0_dp
85063  s_r_t_1 = 0.0_dp
85064  s_r_t2_1 = 0.0_dp
85065  s_r_t_2 = 0.0_dp
85066  s_r_t2_2 = 0.0_dp
85067  s_r_t_3 = 0.0_dp
85068  s_r_t2_3 = 0.0_dp
85069  s_r_t_4 = 0.0_dp
85070  s_r_t2_4 = 0.0_dp
85071  s_r_t_5 = 0.0_dp
85072  s_r_t2_5 = 0.0_dp
85073  r_tmp = r_offset + r1*zeta/(zeta + zetb)
85074  rr2_delta = -r_tmp/dr
85075 
85076  rr2_l = ceiling(-r_c(2) + rr2_delta)
85077  rr2_r = floor(r_c(2) + rr2_delta)
85078 
85079  r = r_tmp + (rr2_l)*dr
85080 
85081  exp2_2rdr = exp(-2*alpha*r*dr)
85082  exp2_rsq = exp(-alpha*r*r)
85083 
85084  DO rr2 = rr2_l, rr2_r
85085  r_pow_t = 1.0_dp
85086  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
85087  r_pow_t = r_pow_t*r
85088  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
85089  r_pow_t = r_pow_t*r
85090  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
85091  r_pow_t = r_pow_t*r
85092  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
85093  r_pow_t = r_pow_t*r
85094  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
85095  r_pow_t = r_pow_t*r
85096  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
85097 
85098  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
85099  exp2_2rdr = exp2_2rdr*exp_2drsq
85100  r = r + dr
85101  END DO
85102 
85103  ! C --> H
85104  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
85105  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
85106  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
85107  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
85108  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
85109  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
85110  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
85111  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
85112  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
85113  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
85114  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
85115  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
85116  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
85117  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
85118  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
85119  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
85120  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
85121  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
85122  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
85123  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
85124  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
85125 
85126  ! H --> HH
85127  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
85128 
85129  c1 = 1.0_dp/(zeta + zetb)
85130  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
85131  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
85132 
85133  e_0_1_0 = zeta*( &
85134  +c2*e_0_0_0&
85135 
85136  )
85137  e_0_0_1 = zetb*( &
85138  +c3*e_0_0_0&
85139 
85140  )
85141  e_1_1_0 = zeta*( c1*e_0_0_0 &
85142 
85143 
85144  )
85145  e_1_0_1 = zetb*( c1*e_0_0_0 &
85146 
85147 
85148  )
85149  e_0_2_0 = zeta*( &
85150  +c2*e_0_1_0&
85151  +2*e_1_1_0 &
85152  -2*e_0_0_0)
85153  e_0_1_1 = zetb*( &
85154  +c3*e_0_1_0&
85155  +2*e_1_1_0 &
85156  )
85157  e_1_2_0 = zeta*( c1*e_0_1_0 &
85158  +c2*e_1_1_0&
85159 
85160  )
85161  e_1_1_1 = zetb*( c1*e_0_1_0 &
85162  +c3*e_1_1_0&
85163 
85164  )
85165  e_2_2_0 = zeta*( c1*e_1_1_0 &
85166 
85167 
85168  )
85169  e_2_1_1 = zetb*( c1*e_1_1_0 &
85170 
85171 
85172  )
85173  e_0_3_0 = zeta*( &
85174  +c2*e_0_2_0&
85175  +2*e_1_2_0 &
85176  -4*e_0_1_0)
85177  e_0_2_1 = zetb*( &
85178  +c3*e_0_2_0&
85179  +2*e_1_2_0 &
85180  )
85181  e_1_3_0 = zeta*( c1*e_0_2_0 &
85182  +c2*e_1_2_0&
85183  +4*e_2_2_0 &
85184  -4*e_1_1_0)
85185  e_1_2_1 = zetb*( c1*e_0_2_0 &
85186  +c3*e_1_2_0&
85187  +4*e_2_2_0 &
85188  )
85189  e_2_3_0 = zeta*( c1*e_1_2_0 &
85190  +c2*e_2_2_0&
85191 
85192  )
85193  e_2_2_1 = zetb*( c1*e_1_2_0 &
85194  +c3*e_2_2_0&
85195 
85196  )
85197  e_3_3_0 = zeta*( c1*e_2_2_0 &
85198 
85199 
85200  )
85201  e_3_2_1 = zetb*( c1*e_2_2_0 &
85202 
85203 
85204  )
85205  e_0_3_1 = zetb*( &
85206  +c3*e_0_3_0&
85207  +2*e_1_3_0 &
85208  )
85209  e_1_3_1 = zetb*( c1*e_0_3_0 &
85210  +c3*e_1_3_0&
85211  +4*e_2_3_0 &
85212  )
85213  e_2_3_1 = zetb*( c1*e_1_3_0 &
85214  +c3*e_2_3_0&
85215  +6*e_3_3_0 &
85216  )
85217  e_3_3_1 = zetb*( c1*e_2_3_0 &
85218  +c3*e_3_3_0&
85219 
85220  )
85221  e_4_3_1 = zetb*( c1*e_3_3_0 &
85222 
85223 
85224  )
85225  e_0_1_1 = zeta*( &
85226  +c2*e_0_0_1&
85227  +2*e_1_0_1 &
85228  )
85229  e_1_1_1 = zeta*( c1*e_0_0_1 &
85230  +c2*e_1_0_1&
85231 
85232  )
85233  e_2_1_1 = zeta*( c1*e_1_0_1 &
85234 
85235 
85236  )
85237  e_0_2_1 = zeta*( &
85238  +c2*e_0_1_1&
85239  +2*e_1_1_1 &
85240  -2*e_0_0_1)
85241  e_1_2_1 = zeta*( c1*e_0_1_1 &
85242  +c2*e_1_1_1&
85243  +4*e_2_1_1 &
85244  -2*e_1_0_1)
85245  e_2_2_1 = zeta*( c1*e_1_1_1 &
85246  +c2*e_2_1_1&
85247 
85248  )
85249  e_3_2_1 = zeta*( c1*e_2_1_1 &
85250 
85251 
85252  )
85253  e_0_3_1 = zeta*( &
85254  +c2*e_0_2_1&
85255  +2*e_1_2_1 &
85256  -4*e_0_1_1)
85257  e_1_3_1 = zeta*( c1*e_0_2_1 &
85258  +c2*e_1_2_1&
85259  +4*e_2_2_1 &
85260  -4*e_1_1_1)
85261  e_2_3_1 = zeta*( c1*e_1_2_1 &
85262  +c2*e_2_2_1&
85263  +6*e_3_2_1 &
85264  -4*e_2_1_1)
85265  e_3_3_1 = zeta*( c1*e_2_2_1 &
85266  +c2*e_3_2_1&
85267 
85268  )
85269  e_4_3_1 = zeta*( c1*e_3_2_1 &
85270 
85271 
85272  )
85273 
85274  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
85275  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
85276  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
85277  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
85278  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
85279  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
85280  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
85281  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
85282  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
85283  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
85284  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
85285  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
85286  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
85287  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
85288  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
85289  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
85290  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
85291  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
85292  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
85293  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
85294  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
85295  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
85296  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
85297  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
85298  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
85299  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
85300  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
85301  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
85302  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
85303  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
85304  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
85305  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
85306  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
85307  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
85308  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
85309  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
85310  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
85311  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
85312  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
85313  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
85314  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
85315  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
85316  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
85317  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
85318  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
85319  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
85320  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
85321  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
85322  r1 = r1 + dr
85323  END DO
85324 
85325  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
85326  END SUBROUTINE
85327  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_1_2_exp_1 ( &
85328  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
85329  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
85330  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
85331  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
85332  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
85333  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
85334  r_pow_t, r_tmp, rr1_delta, rr2_delta
85335 
85336  REAL(kind=dp) :: c1, c2, c3
85337  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
85338  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
85339  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
85340  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
85341  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
85342  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
85343  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1
85344 
85345  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
85346 
85347  dr = lgth
85348  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
85349 
85350  s_r(:, :, :) = 0.0_dp
85351 
85352  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
85353 
85354  h_to_c_0_0 = sqrt(alpha/pi)
85355 
85356  h_to_c_0_1 = 0.0_dp
85357  h_to_c_1_1 = +2*alpha*h_to_c_0_0
85358  h_to_c_0_2 = -1*h_to_c_1_1
85359  h_to_c_1_2 = +2*alpha*h_to_c_0_1
85360  h_to_c_2_2 = +2*alpha*h_to_c_1_1
85361  h_to_c_0_3 = -1*h_to_c_1_2
85362  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
85363  h_to_c_2_3 = +2*alpha*h_to_c_1_2
85364  h_to_c_3_3 = +2*alpha*h_to_c_2_2
85365  h_to_c_0_4 = -1*h_to_c_1_3
85366  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
85367  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
85368  h_to_c_3_4 = +2*alpha*h_to_c_2_3
85369  h_to_c_4_4 = +2*alpha*h_to_c_3_3
85370  h_to_c_0_5 = -1*h_to_c_1_4
85371  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
85372  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
85373  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
85374  h_to_c_4_5 = +2*alpha*h_to_c_3_4
85375  h_to_c_5_5 = +2*alpha*h_to_c_4_4
85376  h_to_c_0_6 = -1*h_to_c_1_5
85377  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
85378  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
85379  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
85380  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
85381  h_to_c_5_6 = +2*alpha*h_to_c_4_5
85382  h_to_c_6_6 = +2*alpha*h_to_c_5_5
85383 
85384  exp_drsq = exp(-alpha*dr*dr)
85385  exp_2drsq = exp_drsq*exp_drsq
85386 
85387  rr1_delta = (ra - rb)/dr
85388 
85389  rr1_l = ceiling(-r_c(1) + rr1_delta)
85390  rr1_r = floor(r_c(1) + rr1_delta)
85391 
85392  r1 = rr1_l*dr
85393 
85394  alpha_e = zeta*zetb/(zeta + zetb)
85395 
85396  DO rr1 = rr1_l, rr1_r
85397  s_r_t_0 = 0.0_dp
85398  s_r_t2_0 = 0.0_dp
85399  s_r_t_1 = 0.0_dp
85400  s_r_t2_1 = 0.0_dp
85401  s_r_t_2 = 0.0_dp
85402  s_r_t2_2 = 0.0_dp
85403  s_r_t_3 = 0.0_dp
85404  s_r_t2_3 = 0.0_dp
85405  s_r_t_4 = 0.0_dp
85406  s_r_t2_4 = 0.0_dp
85407  s_r_t_5 = 0.0_dp
85408  s_r_t2_5 = 0.0_dp
85409  s_r_t_6 = 0.0_dp
85410  s_r_t2_6 = 0.0_dp
85411  r_tmp = r_offset + r1*zeta/(zeta + zetb)
85412  rr2_delta = -r_tmp/dr
85413 
85414  rr2_l = ceiling(-r_c(2) + rr2_delta)
85415  rr2_r = floor(r_c(2) + rr2_delta)
85416 
85417  r = r_tmp + (rr2_l)*dr
85418 
85419  exp2_2rdr = exp(-2*alpha*r*dr)
85420  exp2_rsq = exp(-alpha*r*r)
85421 
85422  DO rr2 = rr2_l, rr2_r
85423  r_pow_t = 1.0_dp
85424  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
85425  r_pow_t = r_pow_t*r
85426  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
85427  r_pow_t = r_pow_t*r
85428  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
85429  r_pow_t = r_pow_t*r
85430  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
85431  r_pow_t = r_pow_t*r
85432  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
85433  r_pow_t = r_pow_t*r
85434  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
85435  r_pow_t = r_pow_t*r
85436  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
85437 
85438  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
85439  exp2_2rdr = exp2_2rdr*exp_2drsq
85440  r = r + dr
85441  END DO
85442 
85443  ! C --> H
85444  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
85445  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
85446  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
85447  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
85448  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
85449  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
85450  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
85451  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
85452  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
85453  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
85454  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
85455  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
85456  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
85457  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
85458  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
85459  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
85460  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
85461  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
85462  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
85463  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
85464  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
85465  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
85466  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
85467  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
85468  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
85469  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
85470  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
85471  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
85472 
85473  ! H --> HH
85474  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
85475 
85476  c1 = 1.0_dp/(zeta + zetb)
85477  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
85478  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
85479 
85480  e_0_1_0 = zeta*( &
85481  +c2*e_0_0_0&
85482 
85483  )
85484  e_0_0_1 = zetb*( &
85485  +c3*e_0_0_0&
85486 
85487  )
85488  e_1_1_0 = zeta*( c1*e_0_0_0 &
85489 
85490 
85491  )
85492  e_1_0_1 = zetb*( c1*e_0_0_0 &
85493 
85494 
85495  )
85496  e_0_2_0 = zeta*( &
85497  +c2*e_0_1_0&
85498  +2*e_1_1_0 &
85499  -2*e_0_0_0)
85500  e_0_1_1 = zetb*( &
85501  +c3*e_0_1_0&
85502  +2*e_1_1_0 &
85503  )
85504  e_1_2_0 = zeta*( c1*e_0_1_0 &
85505  +c2*e_1_1_0&
85506 
85507  )
85508  e_1_1_1 = zetb*( c1*e_0_1_0 &
85509  +c3*e_1_1_0&
85510 
85511  )
85512  e_2_2_0 = zeta*( c1*e_1_1_0 &
85513 
85514 
85515  )
85516  e_2_1_1 = zetb*( c1*e_1_1_0 &
85517 
85518 
85519  )
85520  e_0_3_0 = zeta*( &
85521  +c2*e_0_2_0&
85522  +2*e_1_2_0 &
85523  -4*e_0_1_0)
85524  e_0_2_1 = zetb*( &
85525  +c3*e_0_2_0&
85526  +2*e_1_2_0 &
85527  )
85528  e_1_3_0 = zeta*( c1*e_0_2_0 &
85529  +c2*e_1_2_0&
85530  +4*e_2_2_0 &
85531  -4*e_1_1_0)
85532  e_1_2_1 = zetb*( c1*e_0_2_0 &
85533  +c3*e_1_2_0&
85534  +4*e_2_2_0 &
85535  )
85536  e_2_3_0 = zeta*( c1*e_1_2_0 &
85537  +c2*e_2_2_0&
85538 
85539  )
85540  e_2_2_1 = zetb*( c1*e_1_2_0 &
85541  +c3*e_2_2_0&
85542 
85543  )
85544  e_3_3_0 = zeta*( c1*e_2_2_0 &
85545 
85546 
85547  )
85548  e_3_2_1 = zetb*( c1*e_2_2_0 &
85549 
85550 
85551  )
85552  e_0_3_1 = zetb*( &
85553  +c3*e_0_3_0&
85554  +2*e_1_3_0 &
85555  )
85556  e_1_3_1 = zetb*( c1*e_0_3_0 &
85557  +c3*e_1_3_0&
85558  +4*e_2_3_0 &
85559  )
85560  e_2_3_1 = zetb*( c1*e_1_3_0 &
85561  +c3*e_2_3_0&
85562  +6*e_3_3_0 &
85563  )
85564  e_3_3_1 = zetb*( c1*e_2_3_0 &
85565  +c3*e_3_3_0&
85566 
85567  )
85568  e_4_3_1 = zetb*( c1*e_3_3_0 &
85569 
85570 
85571  )
85572  e_0_1_1 = zeta*( &
85573  +c2*e_0_0_1&
85574  +2*e_1_0_1 &
85575  )
85576  e_1_1_1 = zeta*( c1*e_0_0_1 &
85577  +c2*e_1_0_1&
85578 
85579  )
85580  e_2_1_1 = zeta*( c1*e_1_0_1 &
85581 
85582 
85583  )
85584  e_0_2_1 = zeta*( &
85585  +c2*e_0_1_1&
85586  +2*e_1_1_1 &
85587  -2*e_0_0_1)
85588  e_1_2_1 = zeta*( c1*e_0_1_1 &
85589  +c2*e_1_1_1&
85590  +4*e_2_1_1 &
85591  -2*e_1_0_1)
85592  e_2_2_1 = zeta*( c1*e_1_1_1 &
85593  +c2*e_2_1_1&
85594 
85595  )
85596  e_3_2_1 = zeta*( c1*e_2_1_1 &
85597 
85598 
85599  )
85600  e_0_3_1 = zeta*( &
85601  +c2*e_0_2_1&
85602  +2*e_1_2_1 &
85603  -4*e_0_1_1)
85604  e_1_3_1 = zeta*( c1*e_0_2_1 &
85605  +c2*e_1_2_1&
85606  +4*e_2_2_1 &
85607  -4*e_1_1_1)
85608  e_2_3_1 = zeta*( c1*e_1_2_1 &
85609  +c2*e_2_2_1&
85610  +6*e_3_2_1 &
85611  -4*e_2_1_1)
85612  e_3_3_1 = zeta*( c1*e_2_2_1 &
85613  +c2*e_3_2_1&
85614 
85615  )
85616  e_4_3_1 = zeta*( c1*e_3_2_1 &
85617 
85618 
85619  )
85620 
85621  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
85622  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
85623  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
85624  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
85625  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
85626  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
85627  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
85628  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
85629  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
85630  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
85631  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
85632  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
85633  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
85634  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
85635  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
85636  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
85637  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
85638  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
85639  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
85640  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
85641  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
85642  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
85643  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
85644  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
85645  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
85646  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
85647  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
85648  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
85649  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
85650  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
85651  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
85652  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
85653  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
85654  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
85655  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
85656  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
85657  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
85658  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
85659  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
85660  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
85661  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
85662  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
85663  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
85664  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
85665  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
85666  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
85667  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
85668  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
85669  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
85670  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
85671  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
85672  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
85673  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
85674  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
85675  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
85676  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
85677  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
85678  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
85679  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
85680  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
85681  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
85682  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
85683  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
85684  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
85685  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
85686  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
85687  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
85688  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
85689  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
85690  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
85691  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
85692  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
85693  r1 = r1 + dr
85694  END DO
85695 
85696  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
85697  END SUBROUTINE
85698  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_1_3_exp_1 ( &
85699  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
85700  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
85701  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
85702  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
85703  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
85704  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
85705  r_pow_t, r_tmp, rr1_delta, rr2_delta
85706 
85707  REAL(kind=dp) :: c1, c2, c3
85708  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
85709  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
85710  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
85711  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
85712  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
85713  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
85714  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
85715  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1
85716 
85717  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
85718 
85719  dr = lgth
85720  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
85721 
85722  s_r(:, :, :) = 0.0_dp
85723 
85724  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
85725 
85726  h_to_c_0_0 = sqrt(alpha/pi)
85727 
85728  h_to_c_0_1 = 0.0_dp
85729  h_to_c_1_1 = +2*alpha*h_to_c_0_0
85730  h_to_c_0_2 = -1*h_to_c_1_1
85731  h_to_c_1_2 = +2*alpha*h_to_c_0_1
85732  h_to_c_2_2 = +2*alpha*h_to_c_1_1
85733  h_to_c_0_3 = -1*h_to_c_1_2
85734  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
85735  h_to_c_2_3 = +2*alpha*h_to_c_1_2
85736  h_to_c_3_3 = +2*alpha*h_to_c_2_2
85737  h_to_c_0_4 = -1*h_to_c_1_3
85738  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
85739  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
85740  h_to_c_3_4 = +2*alpha*h_to_c_2_3
85741  h_to_c_4_4 = +2*alpha*h_to_c_3_3
85742  h_to_c_0_5 = -1*h_to_c_1_4
85743  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
85744  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
85745  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
85746  h_to_c_4_5 = +2*alpha*h_to_c_3_4
85747  h_to_c_5_5 = +2*alpha*h_to_c_4_4
85748  h_to_c_0_6 = -1*h_to_c_1_5
85749  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
85750  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
85751  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
85752  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
85753  h_to_c_5_6 = +2*alpha*h_to_c_4_5
85754  h_to_c_6_6 = +2*alpha*h_to_c_5_5
85755  h_to_c_0_7 = -1*h_to_c_1_6
85756  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
85757  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
85758  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
85759  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
85760  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
85761  h_to_c_6_7 = +2*alpha*h_to_c_5_6
85762  h_to_c_7_7 = +2*alpha*h_to_c_6_6
85763 
85764  exp_drsq = exp(-alpha*dr*dr)
85765  exp_2drsq = exp_drsq*exp_drsq
85766 
85767  rr1_delta = (ra - rb)/dr
85768 
85769  rr1_l = ceiling(-r_c(1) + rr1_delta)
85770  rr1_r = floor(r_c(1) + rr1_delta)
85771 
85772  r1 = rr1_l*dr
85773 
85774  alpha_e = zeta*zetb/(zeta + zetb)
85775 
85776  DO rr1 = rr1_l, rr1_r
85777  s_r_t_0 = 0.0_dp
85778  s_r_t2_0 = 0.0_dp
85779  s_r_t_1 = 0.0_dp
85780  s_r_t2_1 = 0.0_dp
85781  s_r_t_2 = 0.0_dp
85782  s_r_t2_2 = 0.0_dp
85783  s_r_t_3 = 0.0_dp
85784  s_r_t2_3 = 0.0_dp
85785  s_r_t_4 = 0.0_dp
85786  s_r_t2_4 = 0.0_dp
85787  s_r_t_5 = 0.0_dp
85788  s_r_t2_5 = 0.0_dp
85789  s_r_t_6 = 0.0_dp
85790  s_r_t2_6 = 0.0_dp
85791  s_r_t_7 = 0.0_dp
85792  s_r_t2_7 = 0.0_dp
85793  r_tmp = r_offset + r1*zeta/(zeta + zetb)
85794  rr2_delta = -r_tmp/dr
85795 
85796  rr2_l = ceiling(-r_c(2) + rr2_delta)
85797  rr2_r = floor(r_c(2) + rr2_delta)
85798 
85799  r = r_tmp + (rr2_l)*dr
85800 
85801  exp2_2rdr = exp(-2*alpha*r*dr)
85802  exp2_rsq = exp(-alpha*r*r)
85803 
85804  DO rr2 = rr2_l, rr2_r
85805  r_pow_t = 1.0_dp
85806  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
85807  r_pow_t = r_pow_t*r
85808  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
85809  r_pow_t = r_pow_t*r
85810  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
85811  r_pow_t = r_pow_t*r
85812  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
85813  r_pow_t = r_pow_t*r
85814  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
85815  r_pow_t = r_pow_t*r
85816  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
85817  r_pow_t = r_pow_t*r
85818  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
85819  r_pow_t = r_pow_t*r
85820  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
85821 
85822  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
85823  exp2_2rdr = exp2_2rdr*exp_2drsq
85824  r = r + dr
85825  END DO
85826 
85827  ! C --> H
85828  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
85829  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
85830  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
85831  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
85832  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
85833  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
85834  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
85835  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
85836  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
85837  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
85838  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
85839  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
85840  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
85841  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
85842  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
85843  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
85844  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
85845  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
85846  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
85847  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
85848  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
85849  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
85850  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
85851  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
85852  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
85853  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
85854  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
85855  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
85856  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
85857  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
85858  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
85859  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
85860  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
85861  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
85862  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
85863  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
85864 
85865  ! H --> HH
85866  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
85867 
85868  c1 = 1.0_dp/(zeta + zetb)
85869  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
85870  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
85871 
85872  e_0_1_0 = zeta*( &
85873  +c2*e_0_0_0&
85874 
85875  )
85876  e_0_0_1 = zetb*( &
85877  +c3*e_0_0_0&
85878 
85879  )
85880  e_1_1_0 = zeta*( c1*e_0_0_0 &
85881 
85882 
85883  )
85884  e_1_0_1 = zetb*( c1*e_0_0_0 &
85885 
85886 
85887  )
85888  e_0_2_0 = zeta*( &
85889  +c2*e_0_1_0&
85890  +2*e_1_1_0 &
85891  -2*e_0_0_0)
85892  e_0_1_1 = zetb*( &
85893  +c3*e_0_1_0&
85894  +2*e_1_1_0 &
85895  )
85896  e_1_2_0 = zeta*( c1*e_0_1_0 &
85897  +c2*e_1_1_0&
85898 
85899  )
85900  e_1_1_1 = zetb*( c1*e_0_1_0 &
85901  +c3*e_1_1_0&
85902 
85903  )
85904  e_2_2_0 = zeta*( c1*e_1_1_0 &
85905 
85906 
85907  )
85908  e_2_1_1 = zetb*( c1*e_1_1_0 &
85909 
85910 
85911  )
85912  e_0_3_0 = zeta*( &
85913  +c2*e_0_2_0&
85914  +2*e_1_2_0 &
85915  -4*e_0_1_0)
85916  e_0_2_1 = zetb*( &
85917  +c3*e_0_2_0&
85918  +2*e_1_2_0 &
85919  )
85920  e_1_3_0 = zeta*( c1*e_0_2_0 &
85921  +c2*e_1_2_0&
85922  +4*e_2_2_0 &
85923  -4*e_1_1_0)
85924  e_1_2_1 = zetb*( c1*e_0_2_0 &
85925  +c3*e_1_2_0&
85926  +4*e_2_2_0 &
85927  )
85928  e_2_3_0 = zeta*( c1*e_1_2_0 &
85929  +c2*e_2_2_0&
85930 
85931  )
85932  e_2_2_1 = zetb*( c1*e_1_2_0 &
85933  +c3*e_2_2_0&
85934 
85935  )
85936  e_3_3_0 = zeta*( c1*e_2_2_0 &
85937 
85938 
85939  )
85940  e_3_2_1 = zetb*( c1*e_2_2_0 &
85941 
85942 
85943  )
85944  e_0_3_1 = zetb*( &
85945  +c3*e_0_3_0&
85946  +2*e_1_3_0 &
85947  )
85948  e_1_3_1 = zetb*( c1*e_0_3_0 &
85949  +c3*e_1_3_0&
85950  +4*e_2_3_0 &
85951  )
85952  e_2_3_1 = zetb*( c1*e_1_3_0 &
85953  +c3*e_2_3_0&
85954  +6*e_3_3_0 &
85955  )
85956  e_3_3_1 = zetb*( c1*e_2_3_0 &
85957  +c3*e_3_3_0&
85958 
85959  )
85960  e_4_3_1 = zetb*( c1*e_3_3_0 &
85961 
85962 
85963  )
85964  e_0_1_1 = zeta*( &
85965  +c2*e_0_0_1&
85966  +2*e_1_0_1 &
85967  )
85968  e_1_1_1 = zeta*( c1*e_0_0_1 &
85969  +c2*e_1_0_1&
85970 
85971  )
85972  e_2_1_1 = zeta*( c1*e_1_0_1 &
85973 
85974 
85975  )
85976  e_0_2_1 = zeta*( &
85977  +c2*e_0_1_1&
85978  +2*e_1_1_1 &
85979  -2*e_0_0_1)
85980  e_1_2_1 = zeta*( c1*e_0_1_1 &
85981  +c2*e_1_1_1&
85982  +4*e_2_1_1 &
85983  -2*e_1_0_1)
85984  e_2_2_1 = zeta*( c1*e_1_1_1 &
85985  +c2*e_2_1_1&
85986 
85987  )
85988  e_3_2_1 = zeta*( c1*e_2_1_1 &
85989 
85990 
85991  )
85992  e_0_3_1 = zeta*( &
85993  +c2*e_0_2_1&
85994  +2*e_1_2_1 &
85995  -4*e_0_1_1)
85996  e_1_3_1 = zeta*( c1*e_0_2_1 &
85997  +c2*e_1_2_1&
85998  +4*e_2_2_1 &
85999  -4*e_1_1_1)
86000  e_2_3_1 = zeta*( c1*e_1_2_1 &
86001  +c2*e_2_2_1&
86002  +6*e_3_2_1 &
86003  -4*e_2_1_1)
86004  e_3_3_1 = zeta*( c1*e_2_2_1 &
86005  +c2*e_3_2_1&
86006 
86007  )
86008  e_4_3_1 = zeta*( c1*e_3_2_1 &
86009 
86010 
86011  )
86012 
86013  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
86014  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
86015  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
86016  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
86017  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
86018  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
86019  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
86020  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
86021  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
86022  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
86023  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
86024  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
86025  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
86026  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
86027  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
86028  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
86029  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
86030  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
86031  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
86032  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
86033  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
86034  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
86035  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
86036  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
86037  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
86038  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
86039  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
86040  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
86041  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
86042  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
86043  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
86044  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
86045  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
86046  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
86047  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
86048  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
86049  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
86050  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
86051  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
86052  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
86053  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
86054  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
86055  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
86056  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
86057  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
86058  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
86059  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
86060  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
86061  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
86062  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
86063  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
86064  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
86065  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
86066  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
86067  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
86068  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
86069  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
86070  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
86071  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
86072  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
86073  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
86074  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
86075  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
86076  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
86077  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
86078  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
86079  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
86080  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
86081  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
86082  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
86083  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
86084  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
86085  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
86086  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
86087  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
86088  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
86089  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
86090  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
86091  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
86092  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
86093  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
86094  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
86095  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
86096  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
86097  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
86098  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
86099  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
86100  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
86101  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
86102  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
86103  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
86104  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
86105  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
86106  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
86107  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
86108  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
86109  r1 = r1 + dr
86110  END DO
86111 
86112  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
86113  END SUBROUTINE
86114  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_1_4_exp_1 ( &
86115  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
86116  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
86117  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
86118  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
86119  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
86120  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
86121  r_pow_t, r_tmp, rr1_delta, rr2_delta
86122 
86123  REAL(kind=dp) :: c1, c2, c3
86124  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
86125  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
86126  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
86127  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
86128  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
86129  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
86130  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
86131  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
86132  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1
86133 
86134  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
86135 
86136  dr = lgth
86137  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
86138 
86139  s_r(:, :, :) = 0.0_dp
86140 
86141  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
86142 
86143  h_to_c_0_0 = sqrt(alpha/pi)
86144 
86145  h_to_c_0_1 = 0.0_dp
86146  h_to_c_1_1 = +2*alpha*h_to_c_0_0
86147  h_to_c_0_2 = -1*h_to_c_1_1
86148  h_to_c_1_2 = +2*alpha*h_to_c_0_1
86149  h_to_c_2_2 = +2*alpha*h_to_c_1_1
86150  h_to_c_0_3 = -1*h_to_c_1_2
86151  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
86152  h_to_c_2_3 = +2*alpha*h_to_c_1_2
86153  h_to_c_3_3 = +2*alpha*h_to_c_2_2
86154  h_to_c_0_4 = -1*h_to_c_1_3
86155  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
86156  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
86157  h_to_c_3_4 = +2*alpha*h_to_c_2_3
86158  h_to_c_4_4 = +2*alpha*h_to_c_3_3
86159  h_to_c_0_5 = -1*h_to_c_1_4
86160  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
86161  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
86162  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
86163  h_to_c_4_5 = +2*alpha*h_to_c_3_4
86164  h_to_c_5_5 = +2*alpha*h_to_c_4_4
86165  h_to_c_0_6 = -1*h_to_c_1_5
86166  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
86167  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
86168  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
86169  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
86170  h_to_c_5_6 = +2*alpha*h_to_c_4_5
86171  h_to_c_6_6 = +2*alpha*h_to_c_5_5
86172  h_to_c_0_7 = -1*h_to_c_1_6
86173  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
86174  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
86175  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
86176  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
86177  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
86178  h_to_c_6_7 = +2*alpha*h_to_c_5_6
86179  h_to_c_7_7 = +2*alpha*h_to_c_6_6
86180  h_to_c_0_8 = -1*h_to_c_1_7
86181  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
86182  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
86183  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
86184  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
86185  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
86186  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
86187  h_to_c_7_8 = +2*alpha*h_to_c_6_7
86188  h_to_c_8_8 = +2*alpha*h_to_c_7_7
86189 
86190  exp_drsq = exp(-alpha*dr*dr)
86191  exp_2drsq = exp_drsq*exp_drsq
86192 
86193  rr1_delta = (ra - rb)/dr
86194 
86195  rr1_l = ceiling(-r_c(1) + rr1_delta)
86196  rr1_r = floor(r_c(1) + rr1_delta)
86197 
86198  r1 = rr1_l*dr
86199 
86200  alpha_e = zeta*zetb/(zeta + zetb)
86201 
86202  DO rr1 = rr1_l, rr1_r
86203  s_r_t_0 = 0.0_dp
86204  s_r_t2_0 = 0.0_dp
86205  s_r_t_1 = 0.0_dp
86206  s_r_t2_1 = 0.0_dp
86207  s_r_t_2 = 0.0_dp
86208  s_r_t2_2 = 0.0_dp
86209  s_r_t_3 = 0.0_dp
86210  s_r_t2_3 = 0.0_dp
86211  s_r_t_4 = 0.0_dp
86212  s_r_t2_4 = 0.0_dp
86213  s_r_t_5 = 0.0_dp
86214  s_r_t2_5 = 0.0_dp
86215  s_r_t_6 = 0.0_dp
86216  s_r_t2_6 = 0.0_dp
86217  s_r_t_7 = 0.0_dp
86218  s_r_t2_7 = 0.0_dp
86219  s_r_t_8 = 0.0_dp
86220  s_r_t2_8 = 0.0_dp
86221  r_tmp = r_offset + r1*zeta/(zeta + zetb)
86222  rr2_delta = -r_tmp/dr
86223 
86224  rr2_l = ceiling(-r_c(2) + rr2_delta)
86225  rr2_r = floor(r_c(2) + rr2_delta)
86226 
86227  r = r_tmp + (rr2_l)*dr
86228 
86229  exp2_2rdr = exp(-2*alpha*r*dr)
86230  exp2_rsq = exp(-alpha*r*r)
86231 
86232  DO rr2 = rr2_l, rr2_r
86233  r_pow_t = 1.0_dp
86234  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
86235  r_pow_t = r_pow_t*r
86236  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
86237  r_pow_t = r_pow_t*r
86238  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
86239  r_pow_t = r_pow_t*r
86240  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
86241  r_pow_t = r_pow_t*r
86242  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
86243  r_pow_t = r_pow_t*r
86244  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
86245  r_pow_t = r_pow_t*r
86246  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
86247  r_pow_t = r_pow_t*r
86248  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
86249  r_pow_t = r_pow_t*r
86250  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
86251 
86252  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
86253  exp2_2rdr = exp2_2rdr*exp_2drsq
86254  r = r + dr
86255  END DO
86256 
86257  ! C --> H
86258  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
86259  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
86260  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
86261  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
86262  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
86263  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
86264  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
86265  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
86266  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
86267  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
86268  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
86269  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
86270  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
86271  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
86272  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
86273  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
86274  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
86275  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
86276  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
86277  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
86278  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
86279  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
86280  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
86281  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
86282  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
86283  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
86284  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
86285  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
86286  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
86287  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
86288  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
86289  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
86290  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
86291  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
86292  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
86293  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
86294  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
86295  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
86296  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
86297  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
86298  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
86299  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
86300  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
86301  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
86302  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
86303 
86304  ! H --> HH
86305  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
86306 
86307  c1 = 1.0_dp/(zeta + zetb)
86308  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
86309  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
86310 
86311  e_0_1_0 = zeta*( &
86312  +c2*e_0_0_0&
86313 
86314  )
86315  e_0_0_1 = zetb*( &
86316  +c3*e_0_0_0&
86317 
86318  )
86319  e_1_1_0 = zeta*( c1*e_0_0_0 &
86320 
86321 
86322  )
86323  e_1_0_1 = zetb*( c1*e_0_0_0 &
86324 
86325 
86326  )
86327  e_0_2_0 = zeta*( &
86328  +c2*e_0_1_0&
86329  +2*e_1_1_0 &
86330  -2*e_0_0_0)
86331  e_0_1_1 = zetb*( &
86332  +c3*e_0_1_0&
86333  +2*e_1_1_0 &
86334  )
86335  e_1_2_0 = zeta*( c1*e_0_1_0 &
86336  +c2*e_1_1_0&
86337 
86338  )
86339  e_1_1_1 = zetb*( c1*e_0_1_0 &
86340  +c3*e_1_1_0&
86341 
86342  )
86343  e_2_2_0 = zeta*( c1*e_1_1_0 &
86344 
86345 
86346  )
86347  e_2_1_1 = zetb*( c1*e_1_1_0 &
86348 
86349 
86350  )
86351  e_0_3_0 = zeta*( &
86352  +c2*e_0_2_0&
86353  +2*e_1_2_0 &
86354  -4*e_0_1_0)
86355  e_0_2_1 = zetb*( &
86356  +c3*e_0_2_0&
86357  +2*e_1_2_0 &
86358  )
86359  e_1_3_0 = zeta*( c1*e_0_2_0 &
86360  +c2*e_1_2_0&
86361  +4*e_2_2_0 &
86362  -4*e_1_1_0)
86363  e_1_2_1 = zetb*( c1*e_0_2_0 &
86364  +c3*e_1_2_0&
86365  +4*e_2_2_0 &
86366  )
86367  e_2_3_0 = zeta*( c1*e_1_2_0 &
86368  +c2*e_2_2_0&
86369 
86370  )
86371  e_2_2_1 = zetb*( c1*e_1_2_0 &
86372  +c3*e_2_2_0&
86373 
86374  )
86375  e_3_3_0 = zeta*( c1*e_2_2_0 &
86376 
86377 
86378  )
86379  e_3_2_1 = zetb*( c1*e_2_2_0 &
86380 
86381 
86382  )
86383  e_0_3_1 = zetb*( &
86384  +c3*e_0_3_0&
86385  +2*e_1_3_0 &
86386  )
86387  e_1_3_1 = zetb*( c1*e_0_3_0 &
86388  +c3*e_1_3_0&
86389  +4*e_2_3_0 &
86390  )
86391  e_2_3_1 = zetb*( c1*e_1_3_0 &
86392  +c3*e_2_3_0&
86393  +6*e_3_3_0 &
86394  )
86395  e_3_3_1 = zetb*( c1*e_2_3_0 &
86396  +c3*e_3_3_0&
86397 
86398  )
86399  e_4_3_1 = zetb*( c1*e_3_3_0 &
86400 
86401 
86402  )
86403  e_0_1_1 = zeta*( &
86404  +c2*e_0_0_1&
86405  +2*e_1_0_1 &
86406  )
86407  e_1_1_1 = zeta*( c1*e_0_0_1 &
86408  +c2*e_1_0_1&
86409 
86410  )
86411  e_2_1_1 = zeta*( c1*e_1_0_1 &
86412 
86413 
86414  )
86415  e_0_2_1 = zeta*( &
86416  +c2*e_0_1_1&
86417  +2*e_1_1_1 &
86418  -2*e_0_0_1)
86419  e_1_2_1 = zeta*( c1*e_0_1_1 &
86420  +c2*e_1_1_1&
86421  +4*e_2_1_1 &
86422  -2*e_1_0_1)
86423  e_2_2_1 = zeta*( c1*e_1_1_1 &
86424  +c2*e_2_1_1&
86425 
86426  )
86427  e_3_2_1 = zeta*( c1*e_2_1_1 &
86428 
86429 
86430  )
86431  e_0_3_1 = zeta*( &
86432  +c2*e_0_2_1&
86433  +2*e_1_2_1 &
86434  -4*e_0_1_1)
86435  e_1_3_1 = zeta*( c1*e_0_2_1 &
86436  +c2*e_1_2_1&
86437  +4*e_2_2_1 &
86438  -4*e_1_1_1)
86439  e_2_3_1 = zeta*( c1*e_1_2_1 &
86440  +c2*e_2_2_1&
86441  +6*e_3_2_1 &
86442  -4*e_2_1_1)
86443  e_3_3_1 = zeta*( c1*e_2_2_1 &
86444  +c2*e_3_2_1&
86445 
86446  )
86447  e_4_3_1 = zeta*( c1*e_3_2_1 &
86448 
86449 
86450  )
86451 
86452  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
86453  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
86454  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
86455  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
86456  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
86457  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
86458  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
86459  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
86460  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
86461  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
86462  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
86463  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
86464  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
86465  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
86466  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
86467  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
86468  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
86469  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
86470  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
86471  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
86472  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
86473  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
86474  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
86475  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
86476  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
86477  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
86478  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
86479  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
86480  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
86481  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
86482  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
86483  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
86484  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
86485  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
86486  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
86487  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
86488  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
86489  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
86490  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
86491  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
86492  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
86493  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
86494  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
86495  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
86496  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
86497  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
86498  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
86499  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
86500  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
86501  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
86502  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
86503  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
86504  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
86505  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
86506  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
86507  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
86508  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
86509  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
86510  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
86511  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
86512  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
86513  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
86514  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
86515  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
86516  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
86517  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
86518  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
86519  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
86520  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
86521  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
86522  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
86523  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
86524  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
86525  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
86526  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
86527  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
86528  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
86529  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
86530  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
86531  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
86532  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
86533  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
86534  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
86535  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
86536  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
86537  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
86538  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
86539  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
86540  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
86541  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
86542  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
86543  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
86544  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
86545  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
86546  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
86547  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
86548  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
86549  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
86550  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
86551  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
86552  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
86553  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
86554  s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
86555  s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
86556  s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
86557  s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
86558  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
86559  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
86560  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
86561  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
86562  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
86563  s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
86564  s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
86565  s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
86566  s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
86567  s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
86568  s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
86569  s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
86570  s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
86571  s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
86572  r1 = r1 + dr
86573  END DO
86574 
86575  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
86576  END SUBROUTINE
86577  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_2_0_exp_1 ( &
86578  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
86579  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
86580  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
86581  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
86582  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
86583  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
86584  r_pow_t, r_tmp, rr1_delta, rr2_delta
86585 
86586  REAL(kind=dp) :: c1, c2, c3
86587  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
86588  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
86589  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
86590  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
86591  & h_to_c_4_5, h_to_c_5_5
86592  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
86593  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
86594  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
86595  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2
86596 
86597  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
86598 
86599  dr = lgth
86600  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
86601 
86602  s_r(:, :, :) = 0.0_dp
86603 
86604  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
86605 
86606  h_to_c_0_0 = sqrt(alpha/pi)
86607 
86608  h_to_c_0_1 = 0.0_dp
86609  h_to_c_1_1 = +2*alpha*h_to_c_0_0
86610  h_to_c_0_2 = -1*h_to_c_1_1
86611  h_to_c_1_2 = +2*alpha*h_to_c_0_1
86612  h_to_c_2_2 = +2*alpha*h_to_c_1_1
86613  h_to_c_0_3 = -1*h_to_c_1_2
86614  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
86615  h_to_c_2_3 = +2*alpha*h_to_c_1_2
86616  h_to_c_3_3 = +2*alpha*h_to_c_2_2
86617  h_to_c_0_4 = -1*h_to_c_1_3
86618  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
86619  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
86620  h_to_c_3_4 = +2*alpha*h_to_c_2_3
86621  h_to_c_4_4 = +2*alpha*h_to_c_3_3
86622  h_to_c_0_5 = -1*h_to_c_1_4
86623  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
86624  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
86625  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
86626  h_to_c_4_5 = +2*alpha*h_to_c_3_4
86627  h_to_c_5_5 = +2*alpha*h_to_c_4_4
86628 
86629  exp_drsq = exp(-alpha*dr*dr)
86630  exp_2drsq = exp_drsq*exp_drsq
86631 
86632  rr1_delta = (ra - rb)/dr
86633 
86634  rr1_l = ceiling(-r_c(1) + rr1_delta)
86635  rr1_r = floor(r_c(1) + rr1_delta)
86636 
86637  r1 = rr1_l*dr
86638 
86639  alpha_e = zeta*zetb/(zeta + zetb)
86640 
86641  DO rr1 = rr1_l, rr1_r
86642  s_r_t_0 = 0.0_dp
86643  s_r_t2_0 = 0.0_dp
86644  s_r_t_1 = 0.0_dp
86645  s_r_t2_1 = 0.0_dp
86646  s_r_t_2 = 0.0_dp
86647  s_r_t2_2 = 0.0_dp
86648  s_r_t_3 = 0.0_dp
86649  s_r_t2_3 = 0.0_dp
86650  s_r_t_4 = 0.0_dp
86651  s_r_t2_4 = 0.0_dp
86652  s_r_t_5 = 0.0_dp
86653  s_r_t2_5 = 0.0_dp
86654  r_tmp = r_offset + r1*zeta/(zeta + zetb)
86655  rr2_delta = -r_tmp/dr
86656 
86657  rr2_l = ceiling(-r_c(2) + rr2_delta)
86658  rr2_r = floor(r_c(2) + rr2_delta)
86659 
86660  r = r_tmp + (rr2_l)*dr
86661 
86662  exp2_2rdr = exp(-2*alpha*r*dr)
86663  exp2_rsq = exp(-alpha*r*r)
86664 
86665  DO rr2 = rr2_l, rr2_r
86666  r_pow_t = 1.0_dp
86667  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
86668  r_pow_t = r_pow_t*r
86669  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
86670  r_pow_t = r_pow_t*r
86671  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
86672  r_pow_t = r_pow_t*r
86673  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
86674  r_pow_t = r_pow_t*r
86675  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
86676  r_pow_t = r_pow_t*r
86677  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
86678 
86679  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
86680  exp2_2rdr = exp2_2rdr*exp_2drsq
86681  r = r + dr
86682  END DO
86683 
86684  ! C --> H
86685  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
86686  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
86687  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
86688  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
86689  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
86690  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
86691  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
86692  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
86693  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
86694  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
86695  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
86696  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
86697  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
86698  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
86699  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
86700  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
86701  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
86702  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
86703  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
86704  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
86705  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
86706 
86707  ! H --> HH
86708  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
86709 
86710  c1 = 1.0_dp/(zeta + zetb)
86711  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
86712  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
86713 
86714  e_0_1_0 = zeta*( &
86715  +c2*e_0_0_0&
86716 
86717  )
86718  e_0_0_1 = zetb*( &
86719  +c3*e_0_0_0&
86720 
86721  )
86722  e_1_1_0 = zeta*( c1*e_0_0_0 &
86723 
86724 
86725  )
86726  e_1_0_1 = zetb*( c1*e_0_0_0 &
86727 
86728 
86729  )
86730  e_0_2_0 = zeta*( &
86731  +c2*e_0_1_0&
86732  +2*e_1_1_0 &
86733  -2*e_0_0_0)
86734  e_0_1_1 = zetb*( &
86735  +c3*e_0_1_0&
86736  +2*e_1_1_0 &
86737  )
86738  e_1_2_0 = zeta*( c1*e_0_1_0 &
86739  +c2*e_1_1_0&
86740 
86741  )
86742  e_1_1_1 = zetb*( c1*e_0_1_0 &
86743  +c3*e_1_1_0&
86744 
86745  )
86746  e_2_2_0 = zeta*( c1*e_1_1_0 &
86747 
86748 
86749  )
86750  e_2_1_1 = zetb*( c1*e_1_1_0 &
86751 
86752 
86753  )
86754  e_0_3_0 = zeta*( &
86755  +c2*e_0_2_0&
86756  +2*e_1_2_0 &
86757  -4*e_0_1_0)
86758  e_0_2_1 = zetb*( &
86759  +c3*e_0_2_0&
86760  +2*e_1_2_0 &
86761  )
86762  e_1_3_0 = zeta*( c1*e_0_2_0 &
86763  +c2*e_1_2_0&
86764  +4*e_2_2_0 &
86765  -4*e_1_1_0)
86766  e_1_2_1 = zetb*( c1*e_0_2_0 &
86767  +c3*e_1_2_0&
86768  +4*e_2_2_0 &
86769  )
86770  e_2_3_0 = zeta*( c1*e_1_2_0 &
86771  +c2*e_2_2_0&
86772 
86773  )
86774  e_2_2_1 = zetb*( c1*e_1_2_0 &
86775  +c3*e_2_2_0&
86776 
86777  )
86778  e_3_3_0 = zeta*( c1*e_2_2_0 &
86779 
86780 
86781  )
86782  e_3_2_1 = zetb*( c1*e_2_2_0 &
86783 
86784 
86785  )
86786  e_0_3_1 = zetb*( &
86787  +c3*e_0_3_0&
86788  +2*e_1_3_0 &
86789  )
86790  e_1_3_1 = zetb*( c1*e_0_3_0 &
86791  +c3*e_1_3_0&
86792  +4*e_2_3_0 &
86793  )
86794  e_2_3_1 = zetb*( c1*e_1_3_0 &
86795  +c3*e_2_3_0&
86796  +6*e_3_3_0 &
86797  )
86798  e_3_3_1 = zetb*( c1*e_2_3_0 &
86799  +c3*e_3_3_0&
86800 
86801  )
86802  e_4_3_1 = zetb*( c1*e_3_3_0 &
86803 
86804 
86805  )
86806  e_0_1_1 = zeta*( &
86807  +c2*e_0_0_1&
86808  +2*e_1_0_1 &
86809  )
86810  e_0_0_2 = zetb*( &
86811  +c3*e_0_0_1&
86812  +2*e_1_0_1 &
86813  -2*e_0_0_0)
86814  e_1_1_1 = zeta*( c1*e_0_0_1 &
86815  +c2*e_1_0_1&
86816 
86817  )
86818  e_1_0_2 = zetb*( c1*e_0_0_1 &
86819  +c3*e_1_0_1&
86820 
86821  )
86822  e_2_1_1 = zeta*( c1*e_1_0_1 &
86823 
86824 
86825  )
86826  e_2_0_2 = zetb*( c1*e_1_0_1 &
86827 
86828 
86829  )
86830  e_0_2_1 = zeta*( &
86831  +c2*e_0_1_1&
86832  +2*e_1_1_1 &
86833  -2*e_0_0_1)
86834  e_0_1_2 = zetb*( &
86835  +c3*e_0_1_1&
86836  +2*e_1_1_1 &
86837  -2*e_0_1_0)
86838  e_1_2_1 = zeta*( c1*e_0_1_1 &
86839  +c2*e_1_1_1&
86840  +4*e_2_1_1 &
86841  -2*e_1_0_1)
86842  e_1_1_2 = zetb*( c1*e_0_1_1 &
86843  +c3*e_1_1_1&
86844  +4*e_2_1_1 &
86845  -2*e_1_1_0)
86846  e_2_2_1 = zeta*( c1*e_1_1_1 &
86847  +c2*e_2_1_1&
86848 
86849  )
86850  e_2_1_2 = zetb*( c1*e_1_1_1 &
86851  +c3*e_2_1_1&
86852 
86853  )
86854  e_3_2_1 = zeta*( c1*e_2_1_1 &
86855 
86856 
86857  )
86858  e_3_1_2 = zetb*( c1*e_2_1_1 &
86859 
86860 
86861  )
86862  e_0_3_1 = zeta*( &
86863  +c2*e_0_2_1&
86864  +2*e_1_2_1 &
86865  -4*e_0_1_1)
86866  e_0_2_2 = zetb*( &
86867  +c3*e_0_2_1&
86868  +2*e_1_2_1 &
86869  -2*e_0_2_0)
86870  e_1_3_1 = zeta*( c1*e_0_2_1 &
86871  +c2*e_1_2_1&
86872  +4*e_2_2_1 &
86873  -4*e_1_1_1)
86874  e_1_2_2 = zetb*( c1*e_0_2_1 &
86875  +c3*e_1_2_1&
86876  +4*e_2_2_1 &
86877  -2*e_1_2_0)
86878  e_2_3_1 = zeta*( c1*e_1_2_1 &
86879  +c2*e_2_2_1&
86880  +6*e_3_2_1 &
86881  -4*e_2_1_1)
86882  e_2_2_2 = zetb*( c1*e_1_2_1 &
86883  +c3*e_2_2_1&
86884  +6*e_3_2_1 &
86885  -2*e_2_2_0)
86886  e_3_3_1 = zeta*( c1*e_2_2_1 &
86887  +c2*e_3_2_1&
86888 
86889  )
86890  e_3_2_2 = zetb*( c1*e_2_2_1 &
86891  +c3*e_3_2_1&
86892 
86893  )
86894  e_4_3_1 = zeta*( c1*e_3_2_1 &
86895 
86896 
86897  )
86898  e_4_2_2 = zetb*( c1*e_3_2_1 &
86899 
86900 
86901  )
86902  e_0_3_2 = zetb*( &
86903  +c3*e_0_3_1&
86904  +2*e_1_3_1 &
86905  -2*e_0_3_0)
86906  e_1_3_2 = zetb*( c1*e_0_3_1 &
86907  +c3*e_1_3_1&
86908  +4*e_2_3_1 &
86909  -2*e_1_3_0)
86910  e_2_3_2 = zetb*( c1*e_1_3_1 &
86911  +c3*e_2_3_1&
86912  +6*e_3_3_1 &
86913  -2*e_2_3_0)
86914  e_3_3_2 = zetb*( c1*e_2_3_1 &
86915  +c3*e_3_3_1&
86916  +8*e_4_3_1 &
86917  -2*e_3_3_0)
86918  e_4_3_2 = zetb*( c1*e_3_3_1 &
86919  +c3*e_4_3_1&
86920 
86921  )
86922  e_5_3_2 = zetb*( c1*e_4_3_1 &
86923 
86924 
86925  )
86926  e_0_1_2 = zeta*( &
86927  +c2*e_0_0_2&
86928  +2*e_1_0_2 &
86929  )
86930  e_1_1_2 = zeta*( c1*e_0_0_2 &
86931  +c2*e_1_0_2&
86932  +4*e_2_0_2 &
86933  )
86934  e_2_1_2 = zeta*( c1*e_1_0_2 &
86935  +c2*e_2_0_2&
86936 
86937  )
86938  e_3_1_2 = zeta*( c1*e_2_0_2 &
86939 
86940 
86941  )
86942  e_0_2_2 = zeta*( &
86943  +c2*e_0_1_2&
86944  +2*e_1_1_2 &
86945  -2*e_0_0_2)
86946  e_1_2_2 = zeta*( c1*e_0_1_2 &
86947  +c2*e_1_1_2&
86948  +4*e_2_1_2 &
86949  -2*e_1_0_2)
86950  e_2_2_2 = zeta*( c1*e_1_1_2 &
86951  +c2*e_2_1_2&
86952  +6*e_3_1_2 &
86953  -2*e_2_0_2)
86954  e_3_2_2 = zeta*( c1*e_2_1_2 &
86955  +c2*e_3_1_2&
86956 
86957  )
86958  e_4_2_2 = zeta*( c1*e_3_1_2 &
86959 
86960 
86961  )
86962  e_0_3_2 = zeta*( &
86963  +c2*e_0_2_2&
86964  +2*e_1_2_2 &
86965  -4*e_0_1_2)
86966  e_1_3_2 = zeta*( c1*e_0_2_2 &
86967  +c2*e_1_2_2&
86968  +4*e_2_2_2 &
86969  -4*e_1_1_2)
86970  e_2_3_2 = zeta*( c1*e_1_2_2 &
86971  +c2*e_2_2_2&
86972  +6*e_3_2_2 &
86973  -4*e_2_1_2)
86974  e_3_3_2 = zeta*( c1*e_2_2_2 &
86975  +c2*e_3_2_2&
86976  +8*e_4_2_2 &
86977  -4*e_3_1_2)
86978  e_4_3_2 = zeta*( c1*e_3_2_2 &
86979  +c2*e_4_2_2&
86980 
86981  )
86982  e_5_3_2 = zeta*( c1*e_4_2_2 &
86983 
86984 
86985  )
86986 
86987  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
86988  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
86989  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
86990  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
86991  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
86992  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
86993  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
86994  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
86995  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
86996  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
86997  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
86998  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
86999  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
87000  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
87001  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
87002  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
87003  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
87004  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
87005  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
87006  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
87007  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
87008  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
87009  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
87010  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
87011  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
87012  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
87013  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
87014  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
87015  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
87016  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
87017  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
87018  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
87019  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
87020  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
87021  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
87022  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
87023  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
87024  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
87025  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
87026  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
87027  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
87028  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
87029  r1 = r1 + dr
87030  END DO
87031 
87032  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
87033  END SUBROUTINE
87034  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_2_1_exp_1 ( &
87035  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
87036  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
87037  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
87038  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
87039  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
87040  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
87041  r_pow_t, r_tmp, rr1_delta, rr2_delta
87042 
87043  REAL(kind=dp) :: c1, c2, c3
87044  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
87045  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
87046  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
87047  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
87048  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
87049  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
87050  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
87051  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
87052  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2
87053 
87054  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
87055 
87056  dr = lgth
87057  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
87058 
87059  s_r(:, :, :) = 0.0_dp
87060 
87061  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
87062 
87063  h_to_c_0_0 = sqrt(alpha/pi)
87064 
87065  h_to_c_0_1 = 0.0_dp
87066  h_to_c_1_1 = +2*alpha*h_to_c_0_0
87067  h_to_c_0_2 = -1*h_to_c_1_1
87068  h_to_c_1_2 = +2*alpha*h_to_c_0_1
87069  h_to_c_2_2 = +2*alpha*h_to_c_1_1
87070  h_to_c_0_3 = -1*h_to_c_1_2
87071  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
87072  h_to_c_2_3 = +2*alpha*h_to_c_1_2
87073  h_to_c_3_3 = +2*alpha*h_to_c_2_2
87074  h_to_c_0_4 = -1*h_to_c_1_3
87075  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
87076  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
87077  h_to_c_3_4 = +2*alpha*h_to_c_2_3
87078  h_to_c_4_4 = +2*alpha*h_to_c_3_3
87079  h_to_c_0_5 = -1*h_to_c_1_4
87080  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
87081  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
87082  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
87083  h_to_c_4_5 = +2*alpha*h_to_c_3_4
87084  h_to_c_5_5 = +2*alpha*h_to_c_4_4
87085  h_to_c_0_6 = -1*h_to_c_1_5
87086  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
87087  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
87088  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
87089  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
87090  h_to_c_5_6 = +2*alpha*h_to_c_4_5
87091  h_to_c_6_6 = +2*alpha*h_to_c_5_5
87092 
87093  exp_drsq = exp(-alpha*dr*dr)
87094  exp_2drsq = exp_drsq*exp_drsq
87095 
87096  rr1_delta = (ra - rb)/dr
87097 
87098  rr1_l = ceiling(-r_c(1) + rr1_delta)
87099  rr1_r = floor(r_c(1) + rr1_delta)
87100 
87101  r1 = rr1_l*dr
87102 
87103  alpha_e = zeta*zetb/(zeta + zetb)
87104 
87105  DO rr1 = rr1_l, rr1_r
87106  s_r_t_0 = 0.0_dp
87107  s_r_t2_0 = 0.0_dp
87108  s_r_t_1 = 0.0_dp
87109  s_r_t2_1 = 0.0_dp
87110  s_r_t_2 = 0.0_dp
87111  s_r_t2_2 = 0.0_dp
87112  s_r_t_3 = 0.0_dp
87113  s_r_t2_3 = 0.0_dp
87114  s_r_t_4 = 0.0_dp
87115  s_r_t2_4 = 0.0_dp
87116  s_r_t_5 = 0.0_dp
87117  s_r_t2_5 = 0.0_dp
87118  s_r_t_6 = 0.0_dp
87119  s_r_t2_6 = 0.0_dp
87120  r_tmp = r_offset + r1*zeta/(zeta + zetb)
87121  rr2_delta = -r_tmp/dr
87122 
87123  rr2_l = ceiling(-r_c(2) + rr2_delta)
87124  rr2_r = floor(r_c(2) + rr2_delta)
87125 
87126  r = r_tmp + (rr2_l)*dr
87127 
87128  exp2_2rdr = exp(-2*alpha*r*dr)
87129  exp2_rsq = exp(-alpha*r*r)
87130 
87131  DO rr2 = rr2_l, rr2_r
87132  r_pow_t = 1.0_dp
87133  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
87134  r_pow_t = r_pow_t*r
87135  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
87136  r_pow_t = r_pow_t*r
87137  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
87138  r_pow_t = r_pow_t*r
87139  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
87140  r_pow_t = r_pow_t*r
87141  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
87142  r_pow_t = r_pow_t*r
87143  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
87144  r_pow_t = r_pow_t*r
87145  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
87146 
87147  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
87148  exp2_2rdr = exp2_2rdr*exp_2drsq
87149  r = r + dr
87150  END DO
87151 
87152  ! C --> H
87153  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
87154  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
87155  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
87156  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
87157  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
87158  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
87159  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
87160  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
87161  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
87162  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
87163  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
87164  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
87165  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
87166  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
87167  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
87168  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
87169  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
87170  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
87171  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
87172  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
87173  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
87174  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
87175  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
87176  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
87177  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
87178  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
87179  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
87180  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
87181 
87182  ! H --> HH
87183  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
87184 
87185  c1 = 1.0_dp/(zeta + zetb)
87186  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
87187  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
87188 
87189  e_0_1_0 = zeta*( &
87190  +c2*e_0_0_0&
87191 
87192  )
87193  e_0_0_1 = zetb*( &
87194  +c3*e_0_0_0&
87195 
87196  )
87197  e_1_1_0 = zeta*( c1*e_0_0_0 &
87198 
87199 
87200  )
87201  e_1_0_1 = zetb*( c1*e_0_0_0 &
87202 
87203 
87204  )
87205  e_0_2_0 = zeta*( &
87206  +c2*e_0_1_0&
87207  +2*e_1_1_0 &
87208  -2*e_0_0_0)
87209  e_0_1_1 = zetb*( &
87210  +c3*e_0_1_0&
87211  +2*e_1_1_0 &
87212  )
87213  e_1_2_0 = zeta*( c1*e_0_1_0 &
87214  +c2*e_1_1_0&
87215 
87216  )
87217  e_1_1_1 = zetb*( c1*e_0_1_0 &
87218  +c3*e_1_1_0&
87219 
87220  )
87221  e_2_2_0 = zeta*( c1*e_1_1_0 &
87222 
87223 
87224  )
87225  e_2_1_1 = zetb*( c1*e_1_1_0 &
87226 
87227 
87228  )
87229  e_0_3_0 = zeta*( &
87230  +c2*e_0_2_0&
87231  +2*e_1_2_0 &
87232  -4*e_0_1_0)
87233  e_0_2_1 = zetb*( &
87234  +c3*e_0_2_0&
87235  +2*e_1_2_0 &
87236  )
87237  e_1_3_0 = zeta*( c1*e_0_2_0 &
87238  +c2*e_1_2_0&
87239  +4*e_2_2_0 &
87240  -4*e_1_1_0)
87241  e_1_2_1 = zetb*( c1*e_0_2_0 &
87242  +c3*e_1_2_0&
87243  +4*e_2_2_0 &
87244  )
87245  e_2_3_0 = zeta*( c1*e_1_2_0 &
87246  +c2*e_2_2_0&
87247 
87248  )
87249  e_2_2_1 = zetb*( c1*e_1_2_0 &
87250  +c3*e_2_2_0&
87251 
87252  )
87253  e_3_3_0 = zeta*( c1*e_2_2_0 &
87254 
87255 
87256  )
87257  e_3_2_1 = zetb*( c1*e_2_2_0 &
87258 
87259 
87260  )
87261  e_0_3_1 = zetb*( &
87262  +c3*e_0_3_0&
87263  +2*e_1_3_0 &
87264  )
87265  e_1_3_1 = zetb*( c1*e_0_3_0 &
87266  +c3*e_1_3_0&
87267  +4*e_2_3_0 &
87268  )
87269  e_2_3_1 = zetb*( c1*e_1_3_0 &
87270  +c3*e_2_3_0&
87271  +6*e_3_3_0 &
87272  )
87273  e_3_3_1 = zetb*( c1*e_2_3_0 &
87274  +c3*e_3_3_0&
87275 
87276  )
87277  e_4_3_1 = zetb*( c1*e_3_3_0 &
87278 
87279 
87280  )
87281  e_0_1_1 = zeta*( &
87282  +c2*e_0_0_1&
87283  +2*e_1_0_1 &
87284  )
87285  e_0_0_2 = zetb*( &
87286  +c3*e_0_0_1&
87287  +2*e_1_0_1 &
87288  -2*e_0_0_0)
87289  e_1_1_1 = zeta*( c1*e_0_0_1 &
87290  +c2*e_1_0_1&
87291 
87292  )
87293  e_1_0_2 = zetb*( c1*e_0_0_1 &
87294  +c3*e_1_0_1&
87295 
87296  )
87297  e_2_1_1 = zeta*( c1*e_1_0_1 &
87298 
87299 
87300  )
87301  e_2_0_2 = zetb*( c1*e_1_0_1 &
87302 
87303 
87304  )
87305  e_0_2_1 = zeta*( &
87306  +c2*e_0_1_1&
87307  +2*e_1_1_1 &
87308  -2*e_0_0_1)
87309  e_0_1_2 = zetb*( &
87310  +c3*e_0_1_1&
87311  +2*e_1_1_1 &
87312  -2*e_0_1_0)
87313  e_1_2_1 = zeta*( c1*e_0_1_1 &
87314  +c2*e_1_1_1&
87315  +4*e_2_1_1 &
87316  -2*e_1_0_1)
87317  e_1_1_2 = zetb*( c1*e_0_1_1 &
87318  +c3*e_1_1_1&
87319  +4*e_2_1_1 &
87320  -2*e_1_1_0)
87321  e_2_2_1 = zeta*( c1*e_1_1_1 &
87322  +c2*e_2_1_1&
87323 
87324  )
87325  e_2_1_2 = zetb*( c1*e_1_1_1 &
87326  +c3*e_2_1_1&
87327 
87328  )
87329  e_3_2_1 = zeta*( c1*e_2_1_1 &
87330 
87331 
87332  )
87333  e_3_1_2 = zetb*( c1*e_2_1_1 &
87334 
87335 
87336  )
87337  e_0_3_1 = zeta*( &
87338  +c2*e_0_2_1&
87339  +2*e_1_2_1 &
87340  -4*e_0_1_1)
87341  e_0_2_2 = zetb*( &
87342  +c3*e_0_2_1&
87343  +2*e_1_2_1 &
87344  -2*e_0_2_0)
87345  e_1_3_1 = zeta*( c1*e_0_2_1 &
87346  +c2*e_1_2_1&
87347  +4*e_2_2_1 &
87348  -4*e_1_1_1)
87349  e_1_2_2 = zetb*( c1*e_0_2_1 &
87350  +c3*e_1_2_1&
87351  +4*e_2_2_1 &
87352  -2*e_1_2_0)
87353  e_2_3_1 = zeta*( c1*e_1_2_1 &
87354  +c2*e_2_2_1&
87355  +6*e_3_2_1 &
87356  -4*e_2_1_1)
87357  e_2_2_2 = zetb*( c1*e_1_2_1 &
87358  +c3*e_2_2_1&
87359  +6*e_3_2_1 &
87360  -2*e_2_2_0)
87361  e_3_3_1 = zeta*( c1*e_2_2_1 &
87362  +c2*e_3_2_1&
87363 
87364  )
87365  e_3_2_2 = zetb*( c1*e_2_2_1 &
87366  +c3*e_3_2_1&
87367 
87368  )
87369  e_4_3_1 = zeta*( c1*e_3_2_1 &
87370 
87371 
87372  )
87373  e_4_2_2 = zetb*( c1*e_3_2_1 &
87374 
87375 
87376  )
87377  e_0_3_2 = zetb*( &
87378  +c3*e_0_3_1&
87379  +2*e_1_3_1 &
87380  -2*e_0_3_0)
87381  e_1_3_2 = zetb*( c1*e_0_3_1 &
87382  +c3*e_1_3_1&
87383  +4*e_2_3_1 &
87384  -2*e_1_3_0)
87385  e_2_3_2 = zetb*( c1*e_1_3_1 &
87386  +c3*e_2_3_1&
87387  +6*e_3_3_1 &
87388  -2*e_2_3_0)
87389  e_3_3_2 = zetb*( c1*e_2_3_1 &
87390  +c3*e_3_3_1&
87391  +8*e_4_3_1 &
87392  -2*e_3_3_0)
87393  e_4_3_2 = zetb*( c1*e_3_3_1 &
87394  +c3*e_4_3_1&
87395 
87396  )
87397  e_5_3_2 = zetb*( c1*e_4_3_1 &
87398 
87399 
87400  )
87401  e_0_1_2 = zeta*( &
87402  +c2*e_0_0_2&
87403  +2*e_1_0_2 &
87404  )
87405  e_1_1_2 = zeta*( c1*e_0_0_2 &
87406  +c2*e_1_0_2&
87407  +4*e_2_0_2 &
87408  )
87409  e_2_1_2 = zeta*( c1*e_1_0_2 &
87410  +c2*e_2_0_2&
87411 
87412  )
87413  e_3_1_2 = zeta*( c1*e_2_0_2 &
87414 
87415 
87416  )
87417  e_0_2_2 = zeta*( &
87418  +c2*e_0_1_2&
87419  +2*e_1_1_2 &
87420  -2*e_0_0_2)
87421  e_1_2_2 = zeta*( c1*e_0_1_2 &
87422  +c2*e_1_1_2&
87423  +4*e_2_1_2 &
87424  -2*e_1_0_2)
87425  e_2_2_2 = zeta*( c1*e_1_1_2 &
87426  +c2*e_2_1_2&
87427  +6*e_3_1_2 &
87428  -2*e_2_0_2)
87429  e_3_2_2 = zeta*( c1*e_2_1_2 &
87430  +c2*e_3_1_2&
87431 
87432  )
87433  e_4_2_2 = zeta*( c1*e_3_1_2 &
87434 
87435 
87436  )
87437  e_0_3_2 = zeta*( &
87438  +c2*e_0_2_2&
87439  +2*e_1_2_2 &
87440  -4*e_0_1_2)
87441  e_1_3_2 = zeta*( c1*e_0_2_2 &
87442  +c2*e_1_2_2&
87443  +4*e_2_2_2 &
87444  -4*e_1_1_2)
87445  e_2_3_2 = zeta*( c1*e_1_2_2 &
87446  +c2*e_2_2_2&
87447  +6*e_3_2_2 &
87448  -4*e_2_1_2)
87449  e_3_3_2 = zeta*( c1*e_2_2_2 &
87450  +c2*e_3_2_2&
87451  +8*e_4_2_2 &
87452  -4*e_3_1_2)
87453  e_4_3_2 = zeta*( c1*e_3_2_2 &
87454  +c2*e_4_2_2&
87455 
87456  )
87457  e_5_3_2 = zeta*( c1*e_4_2_2 &
87458 
87459 
87460  )
87461 
87462  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
87463  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
87464  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
87465  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
87466  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
87467  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
87468  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
87469  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
87470  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
87471  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
87472  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
87473  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
87474  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
87475  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
87476  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
87477  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
87478  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
87479  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
87480  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
87481  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
87482  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
87483  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
87484  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
87485  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
87486  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
87487  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
87488  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
87489  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
87490  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
87491  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
87492  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
87493  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
87494  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
87495  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
87496  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
87497  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
87498  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
87499  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
87500  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
87501  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
87502  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
87503  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
87504  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
87505  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
87506  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
87507  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
87508  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
87509  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
87510  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
87511  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
87512  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
87513  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
87514  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
87515  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
87516  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
87517  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
87518  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
87519  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
87520  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
87521  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
87522  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
87523  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
87524  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
87525  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
87526  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
87527  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
87528  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
87529  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
87530  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
87531  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
87532  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
87533  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
87534  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
87535  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
87536  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
87537  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
87538  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
87539  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
87540  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
87541  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
87542  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
87543  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
87544  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
87545  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
87546  r1 = r1 + dr
87547  END DO
87548 
87549  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
87550  END SUBROUTINE
87551  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_2_2_exp_1 ( &
87552  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
87553  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
87554  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
87555  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
87556  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
87557  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
87558  r_pow_t, r_tmp, rr1_delta, rr2_delta
87559 
87560  REAL(kind=dp) :: c1, c2, c3
87561  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
87562  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
87563  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
87564  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
87565  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
87566  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
87567  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
87568  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
87569  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
87570  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2
87571 
87572  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
87573 
87574  dr = lgth
87575  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
87576 
87577  s_r(:, :, :) = 0.0_dp
87578 
87579  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
87580 
87581  h_to_c_0_0 = sqrt(alpha/pi)
87582 
87583  h_to_c_0_1 = 0.0_dp
87584  h_to_c_1_1 = +2*alpha*h_to_c_0_0
87585  h_to_c_0_2 = -1*h_to_c_1_1
87586  h_to_c_1_2 = +2*alpha*h_to_c_0_1
87587  h_to_c_2_2 = +2*alpha*h_to_c_1_1
87588  h_to_c_0_3 = -1*h_to_c_1_2
87589  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
87590  h_to_c_2_3 = +2*alpha*h_to_c_1_2
87591  h_to_c_3_3 = +2*alpha*h_to_c_2_2
87592  h_to_c_0_4 = -1*h_to_c_1_3
87593  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
87594  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
87595  h_to_c_3_4 = +2*alpha*h_to_c_2_3
87596  h_to_c_4_4 = +2*alpha*h_to_c_3_3
87597  h_to_c_0_5 = -1*h_to_c_1_4
87598  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
87599  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
87600  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
87601  h_to_c_4_5 = +2*alpha*h_to_c_3_4
87602  h_to_c_5_5 = +2*alpha*h_to_c_4_4
87603  h_to_c_0_6 = -1*h_to_c_1_5
87604  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
87605  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
87606  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
87607  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
87608  h_to_c_5_6 = +2*alpha*h_to_c_4_5
87609  h_to_c_6_6 = +2*alpha*h_to_c_5_5
87610  h_to_c_0_7 = -1*h_to_c_1_6
87611  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
87612  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
87613  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
87614  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
87615  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
87616  h_to_c_6_7 = +2*alpha*h_to_c_5_6
87617  h_to_c_7_7 = +2*alpha*h_to_c_6_6
87618 
87619  exp_drsq = exp(-alpha*dr*dr)
87620  exp_2drsq = exp_drsq*exp_drsq
87621 
87622  rr1_delta = (ra - rb)/dr
87623 
87624  rr1_l = ceiling(-r_c(1) + rr1_delta)
87625  rr1_r = floor(r_c(1) + rr1_delta)
87626 
87627  r1 = rr1_l*dr
87628 
87629  alpha_e = zeta*zetb/(zeta + zetb)
87630 
87631  DO rr1 = rr1_l, rr1_r
87632  s_r_t_0 = 0.0_dp
87633  s_r_t2_0 = 0.0_dp
87634  s_r_t_1 = 0.0_dp
87635  s_r_t2_1 = 0.0_dp
87636  s_r_t_2 = 0.0_dp
87637  s_r_t2_2 = 0.0_dp
87638  s_r_t_3 = 0.0_dp
87639  s_r_t2_3 = 0.0_dp
87640  s_r_t_4 = 0.0_dp
87641  s_r_t2_4 = 0.0_dp
87642  s_r_t_5 = 0.0_dp
87643  s_r_t2_5 = 0.0_dp
87644  s_r_t_6 = 0.0_dp
87645  s_r_t2_6 = 0.0_dp
87646  s_r_t_7 = 0.0_dp
87647  s_r_t2_7 = 0.0_dp
87648  r_tmp = r_offset + r1*zeta/(zeta + zetb)
87649  rr2_delta = -r_tmp/dr
87650 
87651  rr2_l = ceiling(-r_c(2) + rr2_delta)
87652  rr2_r = floor(r_c(2) + rr2_delta)
87653 
87654  r = r_tmp + (rr2_l)*dr
87655 
87656  exp2_2rdr = exp(-2*alpha*r*dr)
87657  exp2_rsq = exp(-alpha*r*r)
87658 
87659  DO rr2 = rr2_l, rr2_r
87660  r_pow_t = 1.0_dp
87661  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
87662  r_pow_t = r_pow_t*r
87663  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
87664  r_pow_t = r_pow_t*r
87665  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
87666  r_pow_t = r_pow_t*r
87667  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
87668  r_pow_t = r_pow_t*r
87669  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
87670  r_pow_t = r_pow_t*r
87671  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
87672  r_pow_t = r_pow_t*r
87673  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
87674  r_pow_t = r_pow_t*r
87675  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
87676 
87677  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
87678  exp2_2rdr = exp2_2rdr*exp_2drsq
87679  r = r + dr
87680  END DO
87681 
87682  ! C --> H
87683  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
87684  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
87685  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
87686  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
87687  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
87688  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
87689  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
87690  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
87691  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
87692  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
87693  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
87694  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
87695  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
87696  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
87697  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
87698  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
87699  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
87700  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
87701  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
87702  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
87703  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
87704  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
87705  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
87706  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
87707  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
87708  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
87709  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
87710  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
87711  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
87712  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
87713  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
87714  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
87715  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
87716  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
87717  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
87718  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
87719 
87720  ! H --> HH
87721  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
87722 
87723  c1 = 1.0_dp/(zeta + zetb)
87724  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
87725  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
87726 
87727  e_0_1_0 = zeta*( &
87728  +c2*e_0_0_0&
87729 
87730  )
87731  e_0_0_1 = zetb*( &
87732  +c3*e_0_0_0&
87733 
87734  )
87735  e_1_1_0 = zeta*( c1*e_0_0_0 &
87736 
87737 
87738  )
87739  e_1_0_1 = zetb*( c1*e_0_0_0 &
87740 
87741 
87742  )
87743  e_0_2_0 = zeta*( &
87744  +c2*e_0_1_0&
87745  +2*e_1_1_0 &
87746  -2*e_0_0_0)
87747  e_0_1_1 = zetb*( &
87748  +c3*e_0_1_0&
87749  +2*e_1_1_0 &
87750  )
87751  e_1_2_0 = zeta*( c1*e_0_1_0 &
87752  +c2*e_1_1_0&
87753 
87754  )
87755  e_1_1_1 = zetb*( c1*e_0_1_0 &
87756  +c3*e_1_1_0&
87757 
87758  )
87759  e_2_2_0 = zeta*( c1*e_1_1_0 &
87760 
87761 
87762  )
87763  e_2_1_1 = zetb*( c1*e_1_1_0 &
87764 
87765 
87766  )
87767  e_0_3_0 = zeta*( &
87768  +c2*e_0_2_0&
87769  +2*e_1_2_0 &
87770  -4*e_0_1_0)
87771  e_0_2_1 = zetb*( &
87772  +c3*e_0_2_0&
87773  +2*e_1_2_0 &
87774  )
87775  e_1_3_0 = zeta*( c1*e_0_2_0 &
87776  +c2*e_1_2_0&
87777  +4*e_2_2_0 &
87778  -4*e_1_1_0)
87779  e_1_2_1 = zetb*( c1*e_0_2_0 &
87780  +c3*e_1_2_0&
87781  +4*e_2_2_0 &
87782  )
87783  e_2_3_0 = zeta*( c1*e_1_2_0 &
87784  +c2*e_2_2_0&
87785 
87786  )
87787  e_2_2_1 = zetb*( c1*e_1_2_0 &
87788  +c3*e_2_2_0&
87789 
87790  )
87791  e_3_3_0 = zeta*( c1*e_2_2_0 &
87792 
87793 
87794  )
87795  e_3_2_1 = zetb*( c1*e_2_2_0 &
87796 
87797 
87798  )
87799  e_0_3_1 = zetb*( &
87800  +c3*e_0_3_0&
87801  +2*e_1_3_0 &
87802  )
87803  e_1_3_1 = zetb*( c1*e_0_3_0 &
87804  +c3*e_1_3_0&
87805  +4*e_2_3_0 &
87806  )
87807  e_2_3_1 = zetb*( c1*e_1_3_0 &
87808  +c3*e_2_3_0&
87809  +6*e_3_3_0 &
87810  )
87811  e_3_3_1 = zetb*( c1*e_2_3_0 &
87812  +c3*e_3_3_0&
87813 
87814  )
87815  e_4_3_1 = zetb*( c1*e_3_3_0 &
87816 
87817 
87818  )
87819  e_0_1_1 = zeta*( &
87820  +c2*e_0_0_1&
87821  +2*e_1_0_1 &
87822  )
87823  e_0_0_2 = zetb*( &
87824  +c3*e_0_0_1&
87825  +2*e_1_0_1 &
87826  -2*e_0_0_0)
87827  e_1_1_1 = zeta*( c1*e_0_0_1 &
87828  +c2*e_1_0_1&
87829 
87830  )
87831  e_1_0_2 = zetb*( c1*e_0_0_1 &
87832  +c3*e_1_0_1&
87833 
87834  )
87835  e_2_1_1 = zeta*( c1*e_1_0_1 &
87836 
87837 
87838  )
87839  e_2_0_2 = zetb*( c1*e_1_0_1 &
87840 
87841 
87842  )
87843  e_0_2_1 = zeta*( &
87844  +c2*e_0_1_1&
87845  +2*e_1_1_1 &
87846  -2*e_0_0_1)
87847  e_0_1_2 = zetb*( &
87848  +c3*e_0_1_1&
87849  +2*e_1_1_1 &
87850  -2*e_0_1_0)
87851  e_1_2_1 = zeta*( c1*e_0_1_1 &
87852  +c2*e_1_1_1&
87853  +4*e_2_1_1 &
87854  -2*e_1_0_1)
87855  e_1_1_2 = zetb*( c1*e_0_1_1 &
87856  +c3*e_1_1_1&
87857  +4*e_2_1_1 &
87858  -2*e_1_1_0)
87859  e_2_2_1 = zeta*( c1*e_1_1_1 &
87860  +c2*e_2_1_1&
87861 
87862  )
87863  e_2_1_2 = zetb*( c1*e_1_1_1 &
87864  +c3*e_2_1_1&
87865 
87866  )
87867  e_3_2_1 = zeta*( c1*e_2_1_1 &
87868 
87869 
87870  )
87871  e_3_1_2 = zetb*( c1*e_2_1_1 &
87872 
87873 
87874  )
87875  e_0_3_1 = zeta*( &
87876  +c2*e_0_2_1&
87877  +2*e_1_2_1 &
87878  -4*e_0_1_1)
87879  e_0_2_2 = zetb*( &
87880  +c3*e_0_2_1&
87881  +2*e_1_2_1 &
87882  -2*e_0_2_0)
87883  e_1_3_1 = zeta*( c1*e_0_2_1 &
87884  +c2*e_1_2_1&
87885  +4*e_2_2_1 &
87886  -4*e_1_1_1)
87887  e_1_2_2 = zetb*( c1*e_0_2_1 &
87888  +c3*e_1_2_1&
87889  +4*e_2_2_1 &
87890  -2*e_1_2_0)
87891  e_2_3_1 = zeta*( c1*e_1_2_1 &
87892  +c2*e_2_2_1&
87893  +6*e_3_2_1 &
87894  -4*e_2_1_1)
87895  e_2_2_2 = zetb*( c1*e_1_2_1 &
87896  +c3*e_2_2_1&
87897  +6*e_3_2_1 &
87898  -2*e_2_2_0)
87899  e_3_3_1 = zeta*( c1*e_2_2_1 &
87900  +c2*e_3_2_1&
87901 
87902  )
87903  e_3_2_2 = zetb*( c1*e_2_2_1 &
87904  +c3*e_3_2_1&
87905 
87906  )
87907  e_4_3_1 = zeta*( c1*e_3_2_1 &
87908 
87909 
87910  )
87911  e_4_2_2 = zetb*( c1*e_3_2_1 &
87912 
87913 
87914  )
87915  e_0_3_2 = zetb*( &
87916  +c3*e_0_3_1&
87917  +2*e_1_3_1 &
87918  -2*e_0_3_0)
87919  e_1_3_2 = zetb*( c1*e_0_3_1 &
87920  +c3*e_1_3_1&
87921  +4*e_2_3_1 &
87922  -2*e_1_3_0)
87923  e_2_3_2 = zetb*( c1*e_1_3_1 &
87924  +c3*e_2_3_1&
87925  +6*e_3_3_1 &
87926  -2*e_2_3_0)
87927  e_3_3_2 = zetb*( c1*e_2_3_1 &
87928  +c3*e_3_3_1&
87929  +8*e_4_3_1 &
87930  -2*e_3_3_0)
87931  e_4_3_2 = zetb*( c1*e_3_3_1 &
87932  +c3*e_4_3_1&
87933 
87934  )
87935  e_5_3_2 = zetb*( c1*e_4_3_1 &
87936 
87937 
87938  )
87939  e_0_1_2 = zeta*( &
87940  +c2*e_0_0_2&
87941  +2*e_1_0_2 &
87942  )
87943  e_1_1_2 = zeta*( c1*e_0_0_2 &
87944  +c2*e_1_0_2&
87945  +4*e_2_0_2 &
87946  )
87947  e_2_1_2 = zeta*( c1*e_1_0_2 &
87948  +c2*e_2_0_2&
87949 
87950  )
87951  e_3_1_2 = zeta*( c1*e_2_0_2 &
87952 
87953 
87954  )
87955  e_0_2_2 = zeta*( &
87956  +c2*e_0_1_2&
87957  +2*e_1_1_2 &
87958  -2*e_0_0_2)
87959  e_1_2_2 = zeta*( c1*e_0_1_2 &
87960  +c2*e_1_1_2&
87961  +4*e_2_1_2 &
87962  -2*e_1_0_2)
87963  e_2_2_2 = zeta*( c1*e_1_1_2 &
87964  +c2*e_2_1_2&
87965  +6*e_3_1_2 &
87966  -2*e_2_0_2)
87967  e_3_2_2 = zeta*( c1*e_2_1_2 &
87968  +c2*e_3_1_2&
87969 
87970  )
87971  e_4_2_2 = zeta*( c1*e_3_1_2 &
87972 
87973 
87974  )
87975  e_0_3_2 = zeta*( &
87976  +c2*e_0_2_2&
87977  +2*e_1_2_2 &
87978  -4*e_0_1_2)
87979  e_1_3_2 = zeta*( c1*e_0_2_2 &
87980  +c2*e_1_2_2&
87981  +4*e_2_2_2 &
87982  -4*e_1_1_2)
87983  e_2_3_2 = zeta*( c1*e_1_2_2 &
87984  +c2*e_2_2_2&
87985  +6*e_3_2_2 &
87986  -4*e_2_1_2)
87987  e_3_3_2 = zeta*( c1*e_2_2_2 &
87988  +c2*e_3_2_2&
87989  +8*e_4_2_2 &
87990  -4*e_3_1_2)
87991  e_4_3_2 = zeta*( c1*e_3_2_2 &
87992  +c2*e_4_2_2&
87993 
87994  )
87995  e_5_3_2 = zeta*( c1*e_4_2_2 &
87996 
87997 
87998  )
87999 
88000  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
88001  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
88002  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
88003  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
88004  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
88005  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
88006  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
88007  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
88008  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
88009  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
88010  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
88011  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
88012  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
88013  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
88014  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
88015  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
88016  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
88017  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
88018  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
88019  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
88020  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
88021  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
88022  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
88023  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
88024  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
88025  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
88026  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
88027  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
88028  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
88029  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
88030  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
88031  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
88032  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
88033  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
88034  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
88035  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
88036  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
88037  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
88038  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
88039  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
88040  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
88041  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
88042  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
88043  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
88044  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
88045  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
88046  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
88047  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
88048  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
88049  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
88050  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
88051  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
88052  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
88053  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
88054  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
88055  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
88056  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
88057  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
88058  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
88059  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
88060  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
88061  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
88062  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
88063  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
88064  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
88065  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
88066  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
88067  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
88068  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
88069  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
88070  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
88071  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
88072  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
88073  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
88074  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
88075  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
88076  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
88077  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
88078  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
88079  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
88080  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
88081  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
88082  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
88083  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
88084  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
88085  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
88086  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
88087  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
88088  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
88089  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
88090  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
88091  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
88092  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
88093  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
88094  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
88095  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
88096  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
88097  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
88098  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
88099  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
88100  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
88101  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
88102  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
88103  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
88104  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
88105  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
88106  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
88107  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
88108  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
88109  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
88110  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
88111  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
88112  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
88113  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
88114  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
88115  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
88116  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
88117  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
88118  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
88119  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
88120  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
88121  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
88122  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
88123  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
88124  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
88125  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
88126  r1 = r1 + dr
88127  END DO
88128 
88129  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
88130  END SUBROUTINE
88131  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_2_3_exp_1 ( &
88132  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
88133  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
88134  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
88135  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
88136  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
88137  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
88138  r_pow_t, r_tmp, rr1_delta, rr2_delta
88139 
88140  REAL(kind=dp) :: c1, c2, c3
88141  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
88142  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
88143  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
88144  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
88145  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
88146  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
88147  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
88148  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
88149  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
88150  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
88151  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2
88152 
88153  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
88154 
88155  dr = lgth
88156  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
88157 
88158  s_r(:, :, :) = 0.0_dp
88159 
88160  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
88161 
88162  h_to_c_0_0 = sqrt(alpha/pi)
88163 
88164  h_to_c_0_1 = 0.0_dp
88165  h_to_c_1_1 = +2*alpha*h_to_c_0_0
88166  h_to_c_0_2 = -1*h_to_c_1_1
88167  h_to_c_1_2 = +2*alpha*h_to_c_0_1
88168  h_to_c_2_2 = +2*alpha*h_to_c_1_1
88169  h_to_c_0_3 = -1*h_to_c_1_2
88170  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
88171  h_to_c_2_3 = +2*alpha*h_to_c_1_2
88172  h_to_c_3_3 = +2*alpha*h_to_c_2_2
88173  h_to_c_0_4 = -1*h_to_c_1_3
88174  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
88175  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
88176  h_to_c_3_4 = +2*alpha*h_to_c_2_3
88177  h_to_c_4_4 = +2*alpha*h_to_c_3_3
88178  h_to_c_0_5 = -1*h_to_c_1_4
88179  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
88180  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
88181  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
88182  h_to_c_4_5 = +2*alpha*h_to_c_3_4
88183  h_to_c_5_5 = +2*alpha*h_to_c_4_4
88184  h_to_c_0_6 = -1*h_to_c_1_5
88185  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
88186  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
88187  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
88188  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
88189  h_to_c_5_6 = +2*alpha*h_to_c_4_5
88190  h_to_c_6_6 = +2*alpha*h_to_c_5_5
88191  h_to_c_0_7 = -1*h_to_c_1_6
88192  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
88193  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
88194  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
88195  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
88196  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
88197  h_to_c_6_7 = +2*alpha*h_to_c_5_6
88198  h_to_c_7_7 = +2*alpha*h_to_c_6_6
88199  h_to_c_0_8 = -1*h_to_c_1_7
88200  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
88201  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
88202  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
88203  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
88204  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
88205  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
88206  h_to_c_7_8 = +2*alpha*h_to_c_6_7
88207  h_to_c_8_8 = +2*alpha*h_to_c_7_7
88208 
88209  exp_drsq = exp(-alpha*dr*dr)
88210  exp_2drsq = exp_drsq*exp_drsq
88211 
88212  rr1_delta = (ra - rb)/dr
88213 
88214  rr1_l = ceiling(-r_c(1) + rr1_delta)
88215  rr1_r = floor(r_c(1) + rr1_delta)
88216 
88217  r1 = rr1_l*dr
88218 
88219  alpha_e = zeta*zetb/(zeta + zetb)
88220 
88221  DO rr1 = rr1_l, rr1_r
88222  s_r_t_0 = 0.0_dp
88223  s_r_t2_0 = 0.0_dp
88224  s_r_t_1 = 0.0_dp
88225  s_r_t2_1 = 0.0_dp
88226  s_r_t_2 = 0.0_dp
88227  s_r_t2_2 = 0.0_dp
88228  s_r_t_3 = 0.0_dp
88229  s_r_t2_3 = 0.0_dp
88230  s_r_t_4 = 0.0_dp
88231  s_r_t2_4 = 0.0_dp
88232  s_r_t_5 = 0.0_dp
88233  s_r_t2_5 = 0.0_dp
88234  s_r_t_6 = 0.0_dp
88235  s_r_t2_6 = 0.0_dp
88236  s_r_t_7 = 0.0_dp
88237  s_r_t2_7 = 0.0_dp
88238  s_r_t_8 = 0.0_dp
88239  s_r_t2_8 = 0.0_dp
88240  r_tmp = r_offset + r1*zeta/(zeta + zetb)
88241  rr2_delta = -r_tmp/dr
88242 
88243  rr2_l = ceiling(-r_c(2) + rr2_delta)
88244  rr2_r = floor(r_c(2) + rr2_delta)
88245 
88246  r = r_tmp + (rr2_l)*dr
88247 
88248  exp2_2rdr = exp(-2*alpha*r*dr)
88249  exp2_rsq = exp(-alpha*r*r)
88250 
88251  DO rr2 = rr2_l, rr2_r
88252  r_pow_t = 1.0_dp
88253  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
88254  r_pow_t = r_pow_t*r
88255  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
88256  r_pow_t = r_pow_t*r
88257  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
88258  r_pow_t = r_pow_t*r
88259  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
88260  r_pow_t = r_pow_t*r
88261  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
88262  r_pow_t = r_pow_t*r
88263  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
88264  r_pow_t = r_pow_t*r
88265  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
88266  r_pow_t = r_pow_t*r
88267  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
88268  r_pow_t = r_pow_t*r
88269  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
88270 
88271  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
88272  exp2_2rdr = exp2_2rdr*exp_2drsq
88273  r = r + dr
88274  END DO
88275 
88276  ! C --> H
88277  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
88278  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
88279  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
88280  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
88281  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
88282  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
88283  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
88284  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
88285  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
88286  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
88287  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
88288  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
88289  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
88290  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
88291  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
88292  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
88293  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
88294  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
88295  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
88296  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
88297  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
88298  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
88299  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
88300  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
88301  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
88302  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
88303  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
88304  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
88305  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
88306  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
88307  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
88308  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
88309  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
88310  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
88311  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
88312  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
88313  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
88314  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
88315  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
88316  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
88317  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
88318  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
88319  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
88320  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
88321  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
88322 
88323  ! H --> HH
88324  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
88325 
88326  c1 = 1.0_dp/(zeta + zetb)
88327  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
88328  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
88329 
88330  e_0_1_0 = zeta*( &
88331  +c2*e_0_0_0&
88332 
88333  )
88334  e_0_0_1 = zetb*( &
88335  +c3*e_0_0_0&
88336 
88337  )
88338  e_1_1_0 = zeta*( c1*e_0_0_0 &
88339 
88340 
88341  )
88342  e_1_0_1 = zetb*( c1*e_0_0_0 &
88343 
88344 
88345  )
88346  e_0_2_0 = zeta*( &
88347  +c2*e_0_1_0&
88348  +2*e_1_1_0 &
88349  -2*e_0_0_0)
88350  e_0_1_1 = zetb*( &
88351  +c3*e_0_1_0&
88352  +2*e_1_1_0 &
88353  )
88354  e_1_2_0 = zeta*( c1*e_0_1_0 &
88355  +c2*e_1_1_0&
88356 
88357  )
88358  e_1_1_1 = zetb*( c1*e_0_1_0 &
88359  +c3*e_1_1_0&
88360 
88361  )
88362  e_2_2_0 = zeta*( c1*e_1_1_0 &
88363 
88364 
88365  )
88366  e_2_1_1 = zetb*( c1*e_1_1_0 &
88367 
88368 
88369  )
88370  e_0_3_0 = zeta*( &
88371  +c2*e_0_2_0&
88372  +2*e_1_2_0 &
88373  -4*e_0_1_0)
88374  e_0_2_1 = zetb*( &
88375  +c3*e_0_2_0&
88376  +2*e_1_2_0 &
88377  )
88378  e_1_3_0 = zeta*( c1*e_0_2_0 &
88379  +c2*e_1_2_0&
88380  +4*e_2_2_0 &
88381  -4*e_1_1_0)
88382  e_1_2_1 = zetb*( c1*e_0_2_0 &
88383  +c3*e_1_2_0&
88384  +4*e_2_2_0 &
88385  )
88386  e_2_3_0 = zeta*( c1*e_1_2_0 &
88387  +c2*e_2_2_0&
88388 
88389  )
88390  e_2_2_1 = zetb*( c1*e_1_2_0 &
88391  +c3*e_2_2_0&
88392 
88393  )
88394  e_3_3_0 = zeta*( c1*e_2_2_0 &
88395 
88396 
88397  )
88398  e_3_2_1 = zetb*( c1*e_2_2_0 &
88399 
88400 
88401  )
88402  e_0_3_1 = zetb*( &
88403  +c3*e_0_3_0&
88404  +2*e_1_3_0 &
88405  )
88406  e_1_3_1 = zetb*( c1*e_0_3_0 &
88407  +c3*e_1_3_0&
88408  +4*e_2_3_0 &
88409  )
88410  e_2_3_1 = zetb*( c1*e_1_3_0 &
88411  +c3*e_2_3_0&
88412  +6*e_3_3_0 &
88413  )
88414  e_3_3_1 = zetb*( c1*e_2_3_0 &
88415  +c3*e_3_3_0&
88416 
88417  )
88418  e_4_3_1 = zetb*( c1*e_3_3_0 &
88419 
88420 
88421  )
88422  e_0_1_1 = zeta*( &
88423  +c2*e_0_0_1&
88424  +2*e_1_0_1 &
88425  )
88426  e_0_0_2 = zetb*( &
88427  +c3*e_0_0_1&
88428  +2*e_1_0_1 &
88429  -2*e_0_0_0)
88430  e_1_1_1 = zeta*( c1*e_0_0_1 &
88431  +c2*e_1_0_1&
88432 
88433  )
88434  e_1_0_2 = zetb*( c1*e_0_0_1 &
88435  +c3*e_1_0_1&
88436 
88437  )
88438  e_2_1_1 = zeta*( c1*e_1_0_1 &
88439 
88440 
88441  )
88442  e_2_0_2 = zetb*( c1*e_1_0_1 &
88443 
88444 
88445  )
88446  e_0_2_1 = zeta*( &
88447  +c2*e_0_1_1&
88448  +2*e_1_1_1 &
88449  -2*e_0_0_1)
88450  e_0_1_2 = zetb*( &
88451  +c3*e_0_1_1&
88452  +2*e_1_1_1 &
88453  -2*e_0_1_0)
88454  e_1_2_1 = zeta*( c1*e_0_1_1 &
88455  +c2*e_1_1_1&
88456  +4*e_2_1_1 &
88457  -2*e_1_0_1)
88458  e_1_1_2 = zetb*( c1*e_0_1_1 &
88459  +c3*e_1_1_1&
88460  +4*e_2_1_1 &
88461  -2*e_1_1_0)
88462  e_2_2_1 = zeta*( c1*e_1_1_1 &
88463  +c2*e_2_1_1&
88464 
88465  )
88466  e_2_1_2 = zetb*( c1*e_1_1_1 &
88467  +c3*e_2_1_1&
88468 
88469  )
88470  e_3_2_1 = zeta*( c1*e_2_1_1 &
88471 
88472 
88473  )
88474  e_3_1_2 = zetb*( c1*e_2_1_1 &
88475 
88476 
88477  )
88478  e_0_3_1 = zeta*( &
88479  +c2*e_0_2_1&
88480  +2*e_1_2_1 &
88481  -4*e_0_1_1)
88482  e_0_2_2 = zetb*( &
88483  +c3*e_0_2_1&
88484  +2*e_1_2_1 &
88485  -2*e_0_2_0)
88486  e_1_3_1 = zeta*( c1*e_0_2_1 &
88487  +c2*e_1_2_1&
88488  +4*e_2_2_1 &
88489  -4*e_1_1_1)
88490  e_1_2_2 = zetb*( c1*e_0_2_1 &
88491  +c3*e_1_2_1&
88492  +4*e_2_2_1 &
88493  -2*e_1_2_0)
88494  e_2_3_1 = zeta*( c1*e_1_2_1 &
88495  +c2*e_2_2_1&
88496  +6*e_3_2_1 &
88497  -4*e_2_1_1)
88498  e_2_2_2 = zetb*( c1*e_1_2_1 &
88499  +c3*e_2_2_1&
88500  +6*e_3_2_1 &
88501  -2*e_2_2_0)
88502  e_3_3_1 = zeta*( c1*e_2_2_1 &
88503  +c2*e_3_2_1&
88504 
88505  )
88506  e_3_2_2 = zetb*( c1*e_2_2_1 &
88507  +c3*e_3_2_1&
88508 
88509  )
88510  e_4_3_1 = zeta*( c1*e_3_2_1 &
88511 
88512 
88513  )
88514  e_4_2_2 = zetb*( c1*e_3_2_1 &
88515 
88516 
88517  )
88518  e_0_3_2 = zetb*( &
88519  +c3*e_0_3_1&
88520  +2*e_1_3_1 &
88521  -2*e_0_3_0)
88522  e_1_3_2 = zetb*( c1*e_0_3_1 &
88523  +c3*e_1_3_1&
88524  +4*e_2_3_1 &
88525  -2*e_1_3_0)
88526  e_2_3_2 = zetb*( c1*e_1_3_1 &
88527  +c3*e_2_3_1&
88528  +6*e_3_3_1 &
88529  -2*e_2_3_0)
88530  e_3_3_2 = zetb*( c1*e_2_3_1 &
88531  +c3*e_3_3_1&
88532  +8*e_4_3_1 &
88533  -2*e_3_3_0)
88534  e_4_3_2 = zetb*( c1*e_3_3_1 &
88535  +c3*e_4_3_1&
88536 
88537  )
88538  e_5_3_2 = zetb*( c1*e_4_3_1 &
88539 
88540 
88541  )
88542  e_0_1_2 = zeta*( &
88543  +c2*e_0_0_2&
88544  +2*e_1_0_2 &
88545  )
88546  e_1_1_2 = zeta*( c1*e_0_0_2 &
88547  +c2*e_1_0_2&
88548  +4*e_2_0_2 &
88549  )
88550  e_2_1_2 = zeta*( c1*e_1_0_2 &
88551  +c2*e_2_0_2&
88552 
88553  )
88554  e_3_1_2 = zeta*( c1*e_2_0_2 &
88555 
88556 
88557  )
88558  e_0_2_2 = zeta*( &
88559  +c2*e_0_1_2&
88560  +2*e_1_1_2 &
88561  -2*e_0_0_2)
88562  e_1_2_2 = zeta*( c1*e_0_1_2 &
88563  +c2*e_1_1_2&
88564  +4*e_2_1_2 &
88565  -2*e_1_0_2)
88566  e_2_2_2 = zeta*( c1*e_1_1_2 &
88567  +c2*e_2_1_2&
88568  +6*e_3_1_2 &
88569  -2*e_2_0_2)
88570  e_3_2_2 = zeta*( c1*e_2_1_2 &
88571  +c2*e_3_1_2&
88572 
88573  )
88574  e_4_2_2 = zeta*( c1*e_3_1_2 &
88575 
88576 
88577  )
88578  e_0_3_2 = zeta*( &
88579  +c2*e_0_2_2&
88580  +2*e_1_2_2 &
88581  -4*e_0_1_2)
88582  e_1_3_2 = zeta*( c1*e_0_2_2 &
88583  +c2*e_1_2_2&
88584  +4*e_2_2_2 &
88585  -4*e_1_1_2)
88586  e_2_3_2 = zeta*( c1*e_1_2_2 &
88587  +c2*e_2_2_2&
88588  +6*e_3_2_2 &
88589  -4*e_2_1_2)
88590  e_3_3_2 = zeta*( c1*e_2_2_2 &
88591  +c2*e_3_2_2&
88592  +8*e_4_2_2 &
88593  -4*e_3_1_2)
88594  e_4_3_2 = zeta*( c1*e_3_2_2 &
88595  +c2*e_4_2_2&
88596 
88597  )
88598  e_5_3_2 = zeta*( c1*e_4_2_2 &
88599 
88600 
88601  )
88602 
88603  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
88604  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
88605  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
88606  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
88607  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
88608  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
88609  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
88610  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
88611  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
88612  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
88613  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
88614  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
88615  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
88616  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
88617  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
88618  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
88619  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
88620  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
88621  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
88622  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
88623  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
88624  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
88625  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
88626  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
88627  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
88628  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
88629  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
88630  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
88631  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
88632  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
88633  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
88634  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
88635  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
88636  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
88637  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
88638  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
88639  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
88640  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
88641  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
88642  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
88643  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
88644  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
88645  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
88646  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
88647  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
88648  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
88649  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
88650  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
88651  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
88652  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
88653  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
88654  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
88655  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
88656  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
88657  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
88658  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
88659  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
88660  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
88661  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
88662  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
88663  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
88664  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
88665  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
88666  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
88667  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
88668  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
88669  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
88670  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
88671  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
88672  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
88673  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
88674  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
88675  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
88676  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
88677  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
88678  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
88679  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
88680  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
88681  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
88682  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
88683  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
88684  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
88685  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
88686  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
88687  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
88688  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
88689  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
88690  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
88691  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
88692  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
88693  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
88694  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
88695  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
88696  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
88697  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
88698  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
88699  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
88700  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
88701  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
88702  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
88703  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
88704  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
88705  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
88706  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
88707  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
88708  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
88709  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
88710  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
88711  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
88712  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
88713  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
88714  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
88715  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
88716  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
88717  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
88718  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
88719  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
88720  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
88721  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
88722  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
88723  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
88724  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
88725  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
88726  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
88727  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
88728  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
88729  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
88730  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
88731  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
88732  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
88733  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
88734  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
88735  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
88736  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
88737  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
88738  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
88739  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
88740  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
88741  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
88742  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
88743  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
88744  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
88745  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
88746  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
88747  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
88748  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
88749  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
88750  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
88751  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
88752  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
88753  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
88754  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
88755  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
88756  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
88757  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
88758  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
88759  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
88760  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
88761  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
88762  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
88763  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
88764  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
88765  s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
88766  s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
88767  s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
88768  s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
88769  s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
88770  s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
88771  r1 = r1 + dr
88772  END DO
88773 
88774  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
88775  END SUBROUTINE
88776  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_2_4_exp_1 ( &
88777  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
88778  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
88779  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
88780  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
88781  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
88782  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
88783  r_pow_t, r_tmp, rr1_delta, rr2_delta
88784 
88785  REAL(kind=dp) :: c1, c2, c3
88786  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
88787  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
88788  & s_r_t2_9
88789  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
88790  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
88791  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
88792  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
88793  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
88794  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
88795  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
88796  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
88797  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
88798  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2
88799 
88800  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
88801 
88802  dr = lgth
88803  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
88804 
88805  s_r(:, :, :) = 0.0_dp
88806 
88807  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
88808 
88809  h_to_c_0_0 = sqrt(alpha/pi)
88810 
88811  h_to_c_0_1 = 0.0_dp
88812  h_to_c_1_1 = +2*alpha*h_to_c_0_0
88813  h_to_c_0_2 = -1*h_to_c_1_1
88814  h_to_c_1_2 = +2*alpha*h_to_c_0_1
88815  h_to_c_2_2 = +2*alpha*h_to_c_1_1
88816  h_to_c_0_3 = -1*h_to_c_1_2
88817  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
88818  h_to_c_2_3 = +2*alpha*h_to_c_1_2
88819  h_to_c_3_3 = +2*alpha*h_to_c_2_2
88820  h_to_c_0_4 = -1*h_to_c_1_3
88821  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
88822  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
88823  h_to_c_3_4 = +2*alpha*h_to_c_2_3
88824  h_to_c_4_4 = +2*alpha*h_to_c_3_3
88825  h_to_c_0_5 = -1*h_to_c_1_4
88826  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
88827  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
88828  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
88829  h_to_c_4_5 = +2*alpha*h_to_c_3_4
88830  h_to_c_5_5 = +2*alpha*h_to_c_4_4
88831  h_to_c_0_6 = -1*h_to_c_1_5
88832  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
88833  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
88834  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
88835  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
88836  h_to_c_5_6 = +2*alpha*h_to_c_4_5
88837  h_to_c_6_6 = +2*alpha*h_to_c_5_5
88838  h_to_c_0_7 = -1*h_to_c_1_6
88839  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
88840  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
88841  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
88842  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
88843  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
88844  h_to_c_6_7 = +2*alpha*h_to_c_5_6
88845  h_to_c_7_7 = +2*alpha*h_to_c_6_6
88846  h_to_c_0_8 = -1*h_to_c_1_7
88847  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
88848  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
88849  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
88850  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
88851  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
88852  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
88853  h_to_c_7_8 = +2*alpha*h_to_c_6_7
88854  h_to_c_8_8 = +2*alpha*h_to_c_7_7
88855  h_to_c_0_9 = -1*h_to_c_1_8
88856  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
88857  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
88858  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
88859  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
88860  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
88861  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
88862  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
88863  h_to_c_8_9 = +2*alpha*h_to_c_7_8
88864  h_to_c_9_9 = +2*alpha*h_to_c_8_8
88865 
88866  exp_drsq = exp(-alpha*dr*dr)
88867  exp_2drsq = exp_drsq*exp_drsq
88868 
88869  rr1_delta = (ra - rb)/dr
88870 
88871  rr1_l = ceiling(-r_c(1) + rr1_delta)
88872  rr1_r = floor(r_c(1) + rr1_delta)
88873 
88874  r1 = rr1_l*dr
88875 
88876  alpha_e = zeta*zetb/(zeta + zetb)
88877 
88878  DO rr1 = rr1_l, rr1_r
88879  s_r_t_0 = 0.0_dp
88880  s_r_t2_0 = 0.0_dp
88881  s_r_t_1 = 0.0_dp
88882  s_r_t2_1 = 0.0_dp
88883  s_r_t_2 = 0.0_dp
88884  s_r_t2_2 = 0.0_dp
88885  s_r_t_3 = 0.0_dp
88886  s_r_t2_3 = 0.0_dp
88887  s_r_t_4 = 0.0_dp
88888  s_r_t2_4 = 0.0_dp
88889  s_r_t_5 = 0.0_dp
88890  s_r_t2_5 = 0.0_dp
88891  s_r_t_6 = 0.0_dp
88892  s_r_t2_6 = 0.0_dp
88893  s_r_t_7 = 0.0_dp
88894  s_r_t2_7 = 0.0_dp
88895  s_r_t_8 = 0.0_dp
88896  s_r_t2_8 = 0.0_dp
88897  s_r_t_9 = 0.0_dp
88898  s_r_t2_9 = 0.0_dp
88899  r_tmp = r_offset + r1*zeta/(zeta + zetb)
88900  rr2_delta = -r_tmp/dr
88901 
88902  rr2_l = ceiling(-r_c(2) + rr2_delta)
88903  rr2_r = floor(r_c(2) + rr2_delta)
88904 
88905  r = r_tmp + (rr2_l)*dr
88906 
88907  exp2_2rdr = exp(-2*alpha*r*dr)
88908  exp2_rsq = exp(-alpha*r*r)
88909 
88910  DO rr2 = rr2_l, rr2_r
88911  r_pow_t = 1.0_dp
88912  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
88913  r_pow_t = r_pow_t*r
88914  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
88915  r_pow_t = r_pow_t*r
88916  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
88917  r_pow_t = r_pow_t*r
88918  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
88919  r_pow_t = r_pow_t*r
88920  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
88921  r_pow_t = r_pow_t*r
88922  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
88923  r_pow_t = r_pow_t*r
88924  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
88925  r_pow_t = r_pow_t*r
88926  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
88927  r_pow_t = r_pow_t*r
88928  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
88929  r_pow_t = r_pow_t*r
88930  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
88931 
88932  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
88933  exp2_2rdr = exp2_2rdr*exp_2drsq
88934  r = r + dr
88935  END DO
88936 
88937  ! C --> H
88938  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
88939  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
88940  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
88941  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
88942  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
88943  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
88944  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
88945  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
88946  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
88947  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
88948  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
88949  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
88950  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
88951  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
88952  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
88953  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
88954  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
88955  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
88956  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
88957  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
88958  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
88959  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
88960  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
88961  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
88962  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
88963  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
88964  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
88965  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
88966  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
88967  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
88968  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
88969  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
88970  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
88971  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
88972  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
88973  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
88974  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
88975  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
88976  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
88977  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
88978  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
88979  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
88980  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
88981  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
88982  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
88983  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
88984  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
88985  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
88986  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
88987  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
88988  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
88989  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
88990  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
88991  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
88992  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
88993 
88994  ! H --> HH
88995  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
88996 
88997  c1 = 1.0_dp/(zeta + zetb)
88998  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
88999  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
89000 
89001  e_0_1_0 = zeta*( &
89002  +c2*e_0_0_0&
89003 
89004  )
89005  e_0_0_1 = zetb*( &
89006  +c3*e_0_0_0&
89007 
89008  )
89009  e_1_1_0 = zeta*( c1*e_0_0_0 &
89010 
89011 
89012  )
89013  e_1_0_1 = zetb*( c1*e_0_0_0 &
89014 
89015 
89016  )
89017  e_0_2_0 = zeta*( &
89018  +c2*e_0_1_0&
89019  +2*e_1_1_0 &
89020  -2*e_0_0_0)
89021  e_0_1_1 = zetb*( &
89022  +c3*e_0_1_0&
89023  +2*e_1_1_0 &
89024  )
89025  e_1_2_0 = zeta*( c1*e_0_1_0 &
89026  +c2*e_1_1_0&
89027 
89028  )
89029  e_1_1_1 = zetb*( c1*e_0_1_0 &
89030  +c3*e_1_1_0&
89031 
89032  )
89033  e_2_2_0 = zeta*( c1*e_1_1_0 &
89034 
89035 
89036  )
89037  e_2_1_1 = zetb*( c1*e_1_1_0 &
89038 
89039 
89040  )
89041  e_0_3_0 = zeta*( &
89042  +c2*e_0_2_0&
89043  +2*e_1_2_0 &
89044  -4*e_0_1_0)
89045  e_0_2_1 = zetb*( &
89046  +c3*e_0_2_0&
89047  +2*e_1_2_0 &
89048  )
89049  e_1_3_0 = zeta*( c1*e_0_2_0 &
89050  +c2*e_1_2_0&
89051  +4*e_2_2_0 &
89052  -4*e_1_1_0)
89053  e_1_2_1 = zetb*( c1*e_0_2_0 &
89054  +c3*e_1_2_0&
89055  +4*e_2_2_0 &
89056  )
89057  e_2_3_0 = zeta*( c1*e_1_2_0 &
89058  +c2*e_2_2_0&
89059 
89060  )
89061  e_2_2_1 = zetb*( c1*e_1_2_0 &
89062  +c3*e_2_2_0&
89063 
89064  )
89065  e_3_3_0 = zeta*( c1*e_2_2_0 &
89066 
89067 
89068  )
89069  e_3_2_1 = zetb*( c1*e_2_2_0 &
89070 
89071 
89072  )
89073  e_0_3_1 = zetb*( &
89074  +c3*e_0_3_0&
89075  +2*e_1_3_0 &
89076  )
89077  e_1_3_1 = zetb*( c1*e_0_3_0 &
89078  +c3*e_1_3_0&
89079  +4*e_2_3_0 &
89080  )
89081  e_2_3_1 = zetb*( c1*e_1_3_0 &
89082  +c3*e_2_3_0&
89083  +6*e_3_3_0 &
89084  )
89085  e_3_3_1 = zetb*( c1*e_2_3_0 &
89086  +c3*e_3_3_0&
89087 
89088  )
89089  e_4_3_1 = zetb*( c1*e_3_3_0 &
89090 
89091 
89092  )
89093  e_0_1_1 = zeta*( &
89094  +c2*e_0_0_1&
89095  +2*e_1_0_1 &
89096  )
89097  e_0_0_2 = zetb*( &
89098  +c3*e_0_0_1&
89099  +2*e_1_0_1 &
89100  -2*e_0_0_0)
89101  e_1_1_1 = zeta*( c1*e_0_0_1 &
89102  +c2*e_1_0_1&
89103 
89104  )
89105  e_1_0_2 = zetb*( c1*e_0_0_1 &
89106  +c3*e_1_0_1&
89107 
89108  )
89109  e_2_1_1 = zeta*( c1*e_1_0_1 &
89110 
89111 
89112  )
89113  e_2_0_2 = zetb*( c1*e_1_0_1 &
89114 
89115 
89116  )
89117  e_0_2_1 = zeta*( &
89118  +c2*e_0_1_1&
89119  +2*e_1_1_1 &
89120  -2*e_0_0_1)
89121  e_0_1_2 = zetb*( &
89122  +c3*e_0_1_1&
89123  +2*e_1_1_1 &
89124  -2*e_0_1_0)
89125  e_1_2_1 = zeta*( c1*e_0_1_1 &
89126  +c2*e_1_1_1&
89127  +4*e_2_1_1 &
89128  -2*e_1_0_1)
89129  e_1_1_2 = zetb*( c1*e_0_1_1 &
89130  +c3*e_1_1_1&
89131  +4*e_2_1_1 &
89132  -2*e_1_1_0)
89133  e_2_2_1 = zeta*( c1*e_1_1_1 &
89134  +c2*e_2_1_1&
89135 
89136  )
89137  e_2_1_2 = zetb*( c1*e_1_1_1 &
89138  +c3*e_2_1_1&
89139 
89140  )
89141  e_3_2_1 = zeta*( c1*e_2_1_1 &
89142 
89143 
89144  )
89145  e_3_1_2 = zetb*( c1*e_2_1_1 &
89146 
89147 
89148  )
89149  e_0_3_1 = zeta*( &
89150  +c2*e_0_2_1&
89151  +2*e_1_2_1 &
89152  -4*e_0_1_1)
89153  e_0_2_2 = zetb*( &
89154  +c3*e_0_2_1&
89155  +2*e_1_2_1 &
89156  -2*e_0_2_0)
89157  e_1_3_1 = zeta*( c1*e_0_2_1 &
89158  +c2*e_1_2_1&
89159  +4*e_2_2_1 &
89160  -4*e_1_1_1)
89161  e_1_2_2 = zetb*( c1*e_0_2_1 &
89162  +c3*e_1_2_1&
89163  +4*e_2_2_1 &
89164  -2*e_1_2_0)
89165  e_2_3_1 = zeta*( c1*e_1_2_1 &
89166  +c2*e_2_2_1&
89167  +6*e_3_2_1 &
89168  -4*e_2_1_1)
89169  e_2_2_2 = zetb*( c1*e_1_2_1 &
89170  +c3*e_2_2_1&
89171  +6*e_3_2_1 &
89172  -2*e_2_2_0)
89173  e_3_3_1 = zeta*( c1*e_2_2_1 &
89174  +c2*e_3_2_1&
89175 
89176  )
89177  e_3_2_2 = zetb*( c1*e_2_2_1 &
89178  +c3*e_3_2_1&
89179 
89180  )
89181  e_4_3_1 = zeta*( c1*e_3_2_1 &
89182 
89183 
89184  )
89185  e_4_2_2 = zetb*( c1*e_3_2_1 &
89186 
89187 
89188  )
89189  e_0_3_2 = zetb*( &
89190  +c3*e_0_3_1&
89191  +2*e_1_3_1 &
89192  -2*e_0_3_0)
89193  e_1_3_2 = zetb*( c1*e_0_3_1 &
89194  +c3*e_1_3_1&
89195  +4*e_2_3_1 &
89196  -2*e_1_3_0)
89197  e_2_3_2 = zetb*( c1*e_1_3_1 &
89198  +c3*e_2_3_1&
89199  +6*e_3_3_1 &
89200  -2*e_2_3_0)
89201  e_3_3_2 = zetb*( c1*e_2_3_1 &
89202  +c3*e_3_3_1&
89203  +8*e_4_3_1 &
89204  -2*e_3_3_0)
89205  e_4_3_2 = zetb*( c1*e_3_3_1 &
89206  +c3*e_4_3_1&
89207 
89208  )
89209  e_5_3_2 = zetb*( c1*e_4_3_1 &
89210 
89211 
89212  )
89213  e_0_1_2 = zeta*( &
89214  +c2*e_0_0_2&
89215  +2*e_1_0_2 &
89216  )
89217  e_1_1_2 = zeta*( c1*e_0_0_2 &
89218  +c2*e_1_0_2&
89219  +4*e_2_0_2 &
89220  )
89221  e_2_1_2 = zeta*( c1*e_1_0_2 &
89222  +c2*e_2_0_2&
89223 
89224  )
89225  e_3_1_2 = zeta*( c1*e_2_0_2 &
89226 
89227 
89228  )
89229  e_0_2_2 = zeta*( &
89230  +c2*e_0_1_2&
89231  +2*e_1_1_2 &
89232  -2*e_0_0_2)
89233  e_1_2_2 = zeta*( c1*e_0_1_2 &
89234  +c2*e_1_1_2&
89235  +4*e_2_1_2 &
89236  -2*e_1_0_2)
89237  e_2_2_2 = zeta*( c1*e_1_1_2 &
89238  +c2*e_2_1_2&
89239  +6*e_3_1_2 &
89240  -2*e_2_0_2)
89241  e_3_2_2 = zeta*( c1*e_2_1_2 &
89242  +c2*e_3_1_2&
89243 
89244  )
89245  e_4_2_2 = zeta*( c1*e_3_1_2 &
89246 
89247 
89248  )
89249  e_0_3_2 = zeta*( &
89250  +c2*e_0_2_2&
89251  +2*e_1_2_2 &
89252  -4*e_0_1_2)
89253  e_1_3_2 = zeta*( c1*e_0_2_2 &
89254  +c2*e_1_2_2&
89255  +4*e_2_2_2 &
89256  -4*e_1_1_2)
89257  e_2_3_2 = zeta*( c1*e_1_2_2 &
89258  +c2*e_2_2_2&
89259  +6*e_3_2_2 &
89260  -4*e_2_1_2)
89261  e_3_3_2 = zeta*( c1*e_2_2_2 &
89262  +c2*e_3_2_2&
89263  +8*e_4_2_2 &
89264  -4*e_3_1_2)
89265  e_4_3_2 = zeta*( c1*e_3_2_2 &
89266  +c2*e_4_2_2&
89267 
89268  )
89269  e_5_3_2 = zeta*( c1*e_4_2_2 &
89270 
89271 
89272  )
89273 
89274  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
89275  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
89276  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
89277  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
89278  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
89279  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
89280  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
89281  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
89282  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
89283  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
89284  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
89285  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
89286  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
89287  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
89288  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
89289  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
89290  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
89291  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
89292  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
89293  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
89294  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
89295  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
89296  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
89297  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
89298  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
89299  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
89300  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
89301  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
89302  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
89303  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
89304  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
89305  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
89306  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
89307  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
89308  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
89309  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
89310  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
89311  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
89312  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
89313  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
89314  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
89315  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
89316  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
89317  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
89318  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
89319  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
89320  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
89321  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
89322  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
89323  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
89324  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
89325  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
89326  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
89327  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
89328  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
89329  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
89330  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
89331  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
89332  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
89333  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
89334  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
89335  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
89336  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
89337  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
89338  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
89339  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
89340  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
89341  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
89342  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
89343  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
89344  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
89345  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
89346  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
89347  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
89348  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
89349  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
89350  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
89351  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
89352  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
89353  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
89354  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
89355  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
89356  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
89357  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
89358  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
89359  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
89360  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
89361  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
89362  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
89363  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
89364  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
89365  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
89366  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
89367  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
89368  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
89369  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
89370  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
89371  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
89372  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
89373  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
89374  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
89375  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
89376  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
89377  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
89378  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
89379  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
89380  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
89381  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
89382  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
89383  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
89384  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
89385  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
89386  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
89387  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
89388  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
89389  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
89390  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
89391  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
89392  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
89393  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
89394  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
89395  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
89396  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
89397  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
89398  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
89399  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
89400  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
89401  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
89402  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
89403  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
89404  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
89405  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
89406  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
89407  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
89408  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
89409  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
89410  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
89411  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
89412  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
89413  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
89414  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
89415  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
89416  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
89417  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
89418  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
89419  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
89420  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
89421  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
89422  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
89423  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
89424  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
89425  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
89426  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
89427  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
89428  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
89429  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
89430  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
89431  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
89432  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
89433  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
89434  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
89435  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
89436  s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
89437  s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
89438  s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
89439  s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
89440  s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
89441  s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
89442  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
89443  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
89444  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
89445  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
89446  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
89447  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
89448  s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
89449  s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
89450  s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
89451  s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
89452  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
89453  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
89454  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
89455  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
89456  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
89457  s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
89458  s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
89459  s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
89460  s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
89461  s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
89462  s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
89463  s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
89464  s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
89465  s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
89466  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
89467  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
89468  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
89469  s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
89470  s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
89471  s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
89472  s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
89473  s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
89474  s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
89475  s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
89476  s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
89477  s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
89478  s_r(3, 2, 4) = s_r(3, 2, 4) + e_0_3_2*(1)*s_r_t2_4 ! cost: 5 flops
89479  s_r(3, 2, 4) = s_r(3, 2, 4) + e_1_3_2*(1)*s_r_t2_5 ! cost: 5 flops
89480  s_r(3, 2, 4) = s_r(3, 2, 4) + e_2_3_2*(1)*s_r_t2_6 ! cost: 5 flops
89481  s_r(3, 2, 4) = s_r(3, 2, 4) + e_3_3_2*(1)*s_r_t2_7 ! cost: 5 flops
89482  s_r(3, 2, 4) = s_r(3, 2, 4) + e_4_3_2*(1)*s_r_t2_8 ! cost: 5 flops
89483  s_r(3, 2, 4) = s_r(3, 2, 4) + e_5_3_2*(1)*s_r_t2_9 ! cost: 5 flops
89484  r1 = r1 + dr
89485  END DO
89486 
89487  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
89488  END SUBROUTINE
89489  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_3_0_exp_1 ( &
89490  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
89491  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
89492  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
89493  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
89494  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
89495  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
89496  r_pow_t, r_tmp, rr1_delta, rr2_delta
89497 
89498  REAL(kind=dp) :: c1, c2, c3
89499  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
89500  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
89501  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
89502  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
89503  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
89504  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
89505  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
89506  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
89507  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
89508  & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3
89509 
89510  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
89511 
89512  dr = lgth
89513  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
89514 
89515  s_r(:, :, :) = 0.0_dp
89516 
89517  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
89518 
89519  h_to_c_0_0 = sqrt(alpha/pi)
89520 
89521  h_to_c_0_1 = 0.0_dp
89522  h_to_c_1_1 = +2*alpha*h_to_c_0_0
89523  h_to_c_0_2 = -1*h_to_c_1_1
89524  h_to_c_1_2 = +2*alpha*h_to_c_0_1
89525  h_to_c_2_2 = +2*alpha*h_to_c_1_1
89526  h_to_c_0_3 = -1*h_to_c_1_2
89527  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
89528  h_to_c_2_3 = +2*alpha*h_to_c_1_2
89529  h_to_c_3_3 = +2*alpha*h_to_c_2_2
89530  h_to_c_0_4 = -1*h_to_c_1_3
89531  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
89532  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
89533  h_to_c_3_4 = +2*alpha*h_to_c_2_3
89534  h_to_c_4_4 = +2*alpha*h_to_c_3_3
89535  h_to_c_0_5 = -1*h_to_c_1_4
89536  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
89537  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
89538  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
89539  h_to_c_4_5 = +2*alpha*h_to_c_3_4
89540  h_to_c_5_5 = +2*alpha*h_to_c_4_4
89541  h_to_c_0_6 = -1*h_to_c_1_5
89542  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
89543  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
89544  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
89545  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
89546  h_to_c_5_6 = +2*alpha*h_to_c_4_5
89547  h_to_c_6_6 = +2*alpha*h_to_c_5_5
89548 
89549  exp_drsq = exp(-alpha*dr*dr)
89550  exp_2drsq = exp_drsq*exp_drsq
89551 
89552  rr1_delta = (ra - rb)/dr
89553 
89554  rr1_l = ceiling(-r_c(1) + rr1_delta)
89555  rr1_r = floor(r_c(1) + rr1_delta)
89556 
89557  r1 = rr1_l*dr
89558 
89559  alpha_e = zeta*zetb/(zeta + zetb)
89560 
89561  DO rr1 = rr1_l, rr1_r
89562  s_r_t_0 = 0.0_dp
89563  s_r_t2_0 = 0.0_dp
89564  s_r_t_1 = 0.0_dp
89565  s_r_t2_1 = 0.0_dp
89566  s_r_t_2 = 0.0_dp
89567  s_r_t2_2 = 0.0_dp
89568  s_r_t_3 = 0.0_dp
89569  s_r_t2_3 = 0.0_dp
89570  s_r_t_4 = 0.0_dp
89571  s_r_t2_4 = 0.0_dp
89572  s_r_t_5 = 0.0_dp
89573  s_r_t2_5 = 0.0_dp
89574  s_r_t_6 = 0.0_dp
89575  s_r_t2_6 = 0.0_dp
89576  r_tmp = r_offset + r1*zeta/(zeta + zetb)
89577  rr2_delta = -r_tmp/dr
89578 
89579  rr2_l = ceiling(-r_c(2) + rr2_delta)
89580  rr2_r = floor(r_c(2) + rr2_delta)
89581 
89582  r = r_tmp + (rr2_l)*dr
89583 
89584  exp2_2rdr = exp(-2*alpha*r*dr)
89585  exp2_rsq = exp(-alpha*r*r)
89586 
89587  DO rr2 = rr2_l, rr2_r
89588  r_pow_t = 1.0_dp
89589  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
89590  r_pow_t = r_pow_t*r
89591  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
89592  r_pow_t = r_pow_t*r
89593  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
89594  r_pow_t = r_pow_t*r
89595  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
89596  r_pow_t = r_pow_t*r
89597  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
89598  r_pow_t = r_pow_t*r
89599  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
89600  r_pow_t = r_pow_t*r
89601  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
89602 
89603  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
89604  exp2_2rdr = exp2_2rdr*exp_2drsq
89605  r = r + dr
89606  END DO
89607 
89608  ! C --> H
89609  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
89610  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
89611  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
89612  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
89613  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
89614  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
89615  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
89616  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
89617  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
89618  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
89619  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
89620  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
89621  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
89622  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
89623  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
89624  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
89625  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
89626  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
89627  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
89628  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
89629  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
89630  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
89631  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
89632  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
89633  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
89634  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
89635  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
89636  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
89637 
89638  ! H --> HH
89639  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
89640 
89641  c1 = 1.0_dp/(zeta + zetb)
89642  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
89643  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
89644 
89645  e_0_1_0 = zeta*( &
89646  +c2*e_0_0_0&
89647 
89648  )
89649  e_0_0_1 = zetb*( &
89650  +c3*e_0_0_0&
89651 
89652  )
89653  e_1_1_0 = zeta*( c1*e_0_0_0 &
89654 
89655 
89656  )
89657  e_1_0_1 = zetb*( c1*e_0_0_0 &
89658 
89659 
89660  )
89661  e_0_2_0 = zeta*( &
89662  +c2*e_0_1_0&
89663  +2*e_1_1_0 &
89664  -2*e_0_0_0)
89665  e_0_1_1 = zetb*( &
89666  +c3*e_0_1_0&
89667  +2*e_1_1_0 &
89668  )
89669  e_1_2_0 = zeta*( c1*e_0_1_0 &
89670  +c2*e_1_1_0&
89671 
89672  )
89673  e_1_1_1 = zetb*( c1*e_0_1_0 &
89674  +c3*e_1_1_0&
89675 
89676  )
89677  e_2_2_0 = zeta*( c1*e_1_1_0 &
89678 
89679 
89680  )
89681  e_2_1_1 = zetb*( c1*e_1_1_0 &
89682 
89683 
89684  )
89685  e_0_3_0 = zeta*( &
89686  +c2*e_0_2_0&
89687  +2*e_1_2_0 &
89688  -4*e_0_1_0)
89689  e_0_2_1 = zetb*( &
89690  +c3*e_0_2_0&
89691  +2*e_1_2_0 &
89692  )
89693  e_1_3_0 = zeta*( c1*e_0_2_0 &
89694  +c2*e_1_2_0&
89695  +4*e_2_2_0 &
89696  -4*e_1_1_0)
89697  e_1_2_1 = zetb*( c1*e_0_2_0 &
89698  +c3*e_1_2_0&
89699  +4*e_2_2_0 &
89700  )
89701  e_2_3_0 = zeta*( c1*e_1_2_0 &
89702  +c2*e_2_2_0&
89703 
89704  )
89705  e_2_2_1 = zetb*( c1*e_1_2_0 &
89706  +c3*e_2_2_0&
89707 
89708  )
89709  e_3_3_0 = zeta*( c1*e_2_2_0 &
89710 
89711 
89712  )
89713  e_3_2_1 = zetb*( c1*e_2_2_0 &
89714 
89715 
89716  )
89717  e_0_3_1 = zetb*( &
89718  +c3*e_0_3_0&
89719  +2*e_1_3_0 &
89720  )
89721  e_1_3_1 = zetb*( c1*e_0_3_0 &
89722  +c3*e_1_3_0&
89723  +4*e_2_3_0 &
89724  )
89725  e_2_3_1 = zetb*( c1*e_1_3_0 &
89726  +c3*e_2_3_0&
89727  +6*e_3_3_0 &
89728  )
89729  e_3_3_1 = zetb*( c1*e_2_3_0 &
89730  +c3*e_3_3_0&
89731 
89732  )
89733  e_4_3_1 = zetb*( c1*e_3_3_0 &
89734 
89735 
89736  )
89737  e_0_1_1 = zeta*( &
89738  +c2*e_0_0_1&
89739  +2*e_1_0_1 &
89740  )
89741  e_0_0_2 = zetb*( &
89742  +c3*e_0_0_1&
89743  +2*e_1_0_1 &
89744  -2*e_0_0_0)
89745  e_1_1_1 = zeta*( c1*e_0_0_1 &
89746  +c2*e_1_0_1&
89747 
89748  )
89749  e_1_0_2 = zetb*( c1*e_0_0_1 &
89750  +c3*e_1_0_1&
89751 
89752  )
89753  e_2_1_1 = zeta*( c1*e_1_0_1 &
89754 
89755 
89756  )
89757  e_2_0_2 = zetb*( c1*e_1_0_1 &
89758 
89759 
89760  )
89761  e_0_2_1 = zeta*( &
89762  +c2*e_0_1_1&
89763  +2*e_1_1_1 &
89764  -2*e_0_0_1)
89765  e_0_1_2 = zetb*( &
89766  +c3*e_0_1_1&
89767  +2*e_1_1_1 &
89768  -2*e_0_1_0)
89769  e_1_2_1 = zeta*( c1*e_0_1_1 &
89770  +c2*e_1_1_1&
89771  +4*e_2_1_1 &
89772  -2*e_1_0_1)
89773  e_1_1_2 = zetb*( c1*e_0_1_1 &
89774  +c3*e_1_1_1&
89775  +4*e_2_1_1 &
89776  -2*e_1_1_0)
89777  e_2_2_1 = zeta*( c1*e_1_1_1 &
89778  +c2*e_2_1_1&
89779 
89780  )
89781  e_2_1_2 = zetb*( c1*e_1_1_1 &
89782  +c3*e_2_1_1&
89783 
89784  )
89785  e_3_2_1 = zeta*( c1*e_2_1_1 &
89786 
89787 
89788  )
89789  e_3_1_2 = zetb*( c1*e_2_1_1 &
89790 
89791 
89792  )
89793  e_0_3_1 = zeta*( &
89794  +c2*e_0_2_1&
89795  +2*e_1_2_1 &
89796  -4*e_0_1_1)
89797  e_0_2_2 = zetb*( &
89798  +c3*e_0_2_1&
89799  +2*e_1_2_1 &
89800  -2*e_0_2_0)
89801  e_1_3_1 = zeta*( c1*e_0_2_1 &
89802  +c2*e_1_2_1&
89803  +4*e_2_2_1 &
89804  -4*e_1_1_1)
89805  e_1_2_2 = zetb*( c1*e_0_2_1 &
89806  +c3*e_1_2_1&
89807  +4*e_2_2_1 &
89808  -2*e_1_2_0)
89809  e_2_3_1 = zeta*( c1*e_1_2_1 &
89810  +c2*e_2_2_1&
89811  +6*e_3_2_1 &
89812  -4*e_2_1_1)
89813  e_2_2_2 = zetb*( c1*e_1_2_1 &
89814  +c3*e_2_2_1&
89815  +6*e_3_2_1 &
89816  -2*e_2_2_0)
89817  e_3_3_1 = zeta*( c1*e_2_2_1 &
89818  +c2*e_3_2_1&
89819 
89820  )
89821  e_3_2_2 = zetb*( c1*e_2_2_1 &
89822  +c3*e_3_2_1&
89823 
89824  )
89825  e_4_3_1 = zeta*( c1*e_3_2_1 &
89826 
89827 
89828  )
89829  e_4_2_2 = zetb*( c1*e_3_2_1 &
89830 
89831 
89832  )
89833  e_0_3_2 = zetb*( &
89834  +c3*e_0_3_1&
89835  +2*e_1_3_1 &
89836  -2*e_0_3_0)
89837  e_1_3_2 = zetb*( c1*e_0_3_1 &
89838  +c3*e_1_3_1&
89839  +4*e_2_3_1 &
89840  -2*e_1_3_0)
89841  e_2_3_2 = zetb*( c1*e_1_3_1 &
89842  +c3*e_2_3_1&
89843  +6*e_3_3_1 &
89844  -2*e_2_3_0)
89845  e_3_3_2 = zetb*( c1*e_2_3_1 &
89846  +c3*e_3_3_1&
89847  +8*e_4_3_1 &
89848  -2*e_3_3_0)
89849  e_4_3_2 = zetb*( c1*e_3_3_1 &
89850  +c3*e_4_3_1&
89851 
89852  )
89853  e_5_3_2 = zetb*( c1*e_4_3_1 &
89854 
89855 
89856  )
89857  e_0_1_2 = zeta*( &
89858  +c2*e_0_0_2&
89859  +2*e_1_0_2 &
89860  )
89861  e_0_0_3 = zetb*( &
89862  +c3*e_0_0_2&
89863  +2*e_1_0_2 &
89864  -4*e_0_0_1)
89865  e_1_1_2 = zeta*( c1*e_0_0_2 &
89866  +c2*e_1_0_2&
89867  +4*e_2_0_2 &
89868  )
89869  e_1_0_3 = zetb*( c1*e_0_0_2 &
89870  +c3*e_1_0_2&
89871  +4*e_2_0_2 &
89872  -4*e_1_0_1)
89873  e_2_1_2 = zeta*( c1*e_1_0_2 &
89874  +c2*e_2_0_2&
89875 
89876  )
89877  e_2_0_3 = zetb*( c1*e_1_0_2 &
89878  +c3*e_2_0_2&
89879 
89880  )
89881  e_3_1_2 = zeta*( c1*e_2_0_2 &
89882 
89883 
89884  )
89885  e_3_0_3 = zetb*( c1*e_2_0_2 &
89886 
89887 
89888  )
89889  e_0_2_2 = zeta*( &
89890  +c2*e_0_1_2&
89891  +2*e_1_1_2 &
89892  -2*e_0_0_2)
89893  e_0_1_3 = zetb*( &
89894  +c3*e_0_1_2&
89895  +2*e_1_1_2 &
89896  -4*e_0_1_1)
89897  e_1_2_2 = zeta*( c1*e_0_1_2 &
89898  +c2*e_1_1_2&
89899  +4*e_2_1_2 &
89900  -2*e_1_0_2)
89901  e_1_1_3 = zetb*( c1*e_0_1_2 &
89902  +c3*e_1_1_2&
89903  +4*e_2_1_2 &
89904  -4*e_1_1_1)
89905  e_2_2_2 = zeta*( c1*e_1_1_2 &
89906  +c2*e_2_1_2&
89907  +6*e_3_1_2 &
89908  -2*e_2_0_2)
89909  e_2_1_3 = zetb*( c1*e_1_1_2 &
89910  +c3*e_2_1_2&
89911  +6*e_3_1_2 &
89912  -4*e_2_1_1)
89913  e_3_2_2 = zeta*( c1*e_2_1_2 &
89914  +c2*e_3_1_2&
89915 
89916  )
89917  e_3_1_3 = zetb*( c1*e_2_1_2 &
89918  +c3*e_3_1_2&
89919 
89920  )
89921  e_4_2_2 = zeta*( c1*e_3_1_2 &
89922 
89923 
89924  )
89925  e_4_1_3 = zetb*( c1*e_3_1_2 &
89926 
89927 
89928  )
89929  e_0_3_2 = zeta*( &
89930  +c2*e_0_2_2&
89931  +2*e_1_2_2 &
89932  -4*e_0_1_2)
89933  e_0_2_3 = zetb*( &
89934  +c3*e_0_2_2&
89935  +2*e_1_2_2 &
89936  -4*e_0_2_1)
89937  e_1_3_2 = zeta*( c1*e_0_2_2 &
89938  +c2*e_1_2_2&
89939  +4*e_2_2_2 &
89940  -4*e_1_1_2)
89941  e_1_2_3 = zetb*( c1*e_0_2_2 &
89942  +c3*e_1_2_2&
89943  +4*e_2_2_2 &
89944  -4*e_1_2_1)
89945  e_2_3_2 = zeta*( c1*e_1_2_2 &
89946  +c2*e_2_2_2&
89947  +6*e_3_2_2 &
89948  -4*e_2_1_2)
89949  e_2_2_3 = zetb*( c1*e_1_2_2 &
89950  +c3*e_2_2_2&
89951  +6*e_3_2_2 &
89952  -4*e_2_2_1)
89953  e_3_3_2 = zeta*( c1*e_2_2_2 &
89954  +c2*e_3_2_2&
89955  +8*e_4_2_2 &
89956  -4*e_3_1_2)
89957  e_3_2_3 = zetb*( c1*e_2_2_2 &
89958  +c3*e_3_2_2&
89959  +8*e_4_2_2 &
89960  -4*e_3_2_1)
89961  e_4_3_2 = zeta*( c1*e_3_2_2 &
89962  +c2*e_4_2_2&
89963 
89964  )
89965  e_4_2_3 = zetb*( c1*e_3_2_2 &
89966  +c3*e_4_2_2&
89967 
89968  )
89969  e_5_3_2 = zeta*( c1*e_4_2_2 &
89970 
89971 
89972  )
89973  e_5_2_3 = zetb*( c1*e_4_2_2 &
89974 
89975 
89976  )
89977  e_0_3_3 = zetb*( &
89978  +c3*e_0_3_2&
89979  +2*e_1_3_2 &
89980  -4*e_0_3_1)
89981  e_1_3_3 = zetb*( c1*e_0_3_2 &
89982  +c3*e_1_3_2&
89983  +4*e_2_3_2 &
89984  -4*e_1_3_1)
89985  e_2_3_3 = zetb*( c1*e_1_3_2 &
89986  +c3*e_2_3_2&
89987  +6*e_3_3_2 &
89988  -4*e_2_3_1)
89989  e_3_3_3 = zetb*( c1*e_2_3_2 &
89990  +c3*e_3_3_2&
89991  +8*e_4_3_2 &
89992  -4*e_3_3_1)
89993  e_4_3_3 = zetb*( c1*e_3_3_2 &
89994  +c3*e_4_3_2&
89995  +10*e_5_3_2 &
89996  -4*e_4_3_1)
89997  e_5_3_3 = zetb*( c1*e_4_3_2 &
89998  +c3*e_5_3_2&
89999 
90000  )
90001  e_6_3_3 = zetb*( c1*e_5_3_2 &
90002 
90003 
90004  )
90005  e_0_1_3 = zeta*( &
90006  +c2*e_0_0_3&
90007  +2*e_1_0_3 &
90008  )
90009  e_1_1_3 = zeta*( c1*e_0_0_3 &
90010  +c2*e_1_0_3&
90011  +4*e_2_0_3 &
90012  )
90013  e_2_1_3 = zeta*( c1*e_1_0_3 &
90014  +c2*e_2_0_3&
90015  +6*e_3_0_3 &
90016  )
90017  e_3_1_3 = zeta*( c1*e_2_0_3 &
90018  +c2*e_3_0_3&
90019 
90020  )
90021  e_4_1_3 = zeta*( c1*e_3_0_3 &
90022 
90023 
90024  )
90025  e_0_2_3 = zeta*( &
90026  +c2*e_0_1_3&
90027  +2*e_1_1_3 &
90028  -2*e_0_0_3)
90029  e_1_2_3 = zeta*( c1*e_0_1_3 &
90030  +c2*e_1_1_3&
90031  +4*e_2_1_3 &
90032  -2*e_1_0_3)
90033  e_2_2_3 = zeta*( c1*e_1_1_3 &
90034  +c2*e_2_1_3&
90035  +6*e_3_1_3 &
90036  -2*e_2_0_3)
90037  e_3_2_3 = zeta*( c1*e_2_1_3 &
90038  +c2*e_3_1_3&
90039  +8*e_4_1_3 &
90040  -2*e_3_0_3)
90041  e_4_2_3 = zeta*( c1*e_3_1_3 &
90042  +c2*e_4_1_3&
90043 
90044  )
90045  e_5_2_3 = zeta*( c1*e_4_1_3 &
90046 
90047 
90048  )
90049  e_0_3_3 = zeta*( &
90050  +c2*e_0_2_3&
90051  +2*e_1_2_3 &
90052  -4*e_0_1_3)
90053  e_1_3_3 = zeta*( c1*e_0_2_3 &
90054  +c2*e_1_2_3&
90055  +4*e_2_2_3 &
90056  -4*e_1_1_3)
90057  e_2_3_3 = zeta*( c1*e_1_2_3 &
90058  +c2*e_2_2_3&
90059  +6*e_3_2_3 &
90060  -4*e_2_1_3)
90061  e_3_3_3 = zeta*( c1*e_2_2_3 &
90062  +c2*e_3_2_3&
90063  +8*e_4_2_3 &
90064  -4*e_3_1_3)
90065  e_4_3_3 = zeta*( c1*e_3_2_3 &
90066  +c2*e_4_2_3&
90067  +10*e_5_2_3 &
90068  -4*e_4_1_3)
90069  e_5_3_3 = zeta*( c1*e_4_2_3 &
90070  +c2*e_5_2_3&
90071 
90072  )
90073  e_6_3_3 = zeta*( c1*e_5_2_3 &
90074 
90075 
90076  )
90077 
90078  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
90079  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
90080  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
90081  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
90082  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
90083  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
90084  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
90085  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
90086  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
90087  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
90088  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
90089  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
90090  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
90091  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
90092  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
90093  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
90094  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
90095  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
90096  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
90097  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
90098  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
90099  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
90100  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
90101  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
90102  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
90103  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
90104  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
90105  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
90106  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
90107  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
90108  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
90109  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
90110  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
90111  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
90112  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
90113  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
90114  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
90115  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
90116  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
90117  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
90118  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
90119  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
90120  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
90121  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
90122  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
90123  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
90124  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
90125  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
90126  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
90127  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
90128  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
90129  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
90130  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
90131  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
90132  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
90133  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
90134  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
90135  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
90136  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
90137  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
90138  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
90139  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
90140  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
90141  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
90142  r1 = r1 + dr
90143  END DO
90144 
90145  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
90146  END SUBROUTINE
90147  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_3_1_exp_1 ( &
90148  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
90149  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
90150  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
90151  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
90152  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
90153  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
90154  r_pow_t, r_tmp, rr1_delta, rr2_delta
90155 
90156  REAL(kind=dp) :: c1, c2, c3
90157  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
90158  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
90159  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
90160  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
90161  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
90162  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
90163  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
90164  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
90165  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
90166  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
90167  & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3
90168 
90169  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
90170 
90171  dr = lgth
90172  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
90173 
90174  s_r(:, :, :) = 0.0_dp
90175 
90176  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
90177 
90178  h_to_c_0_0 = sqrt(alpha/pi)
90179 
90180  h_to_c_0_1 = 0.0_dp
90181  h_to_c_1_1 = +2*alpha*h_to_c_0_0
90182  h_to_c_0_2 = -1*h_to_c_1_1
90183  h_to_c_1_2 = +2*alpha*h_to_c_0_1
90184  h_to_c_2_2 = +2*alpha*h_to_c_1_1
90185  h_to_c_0_3 = -1*h_to_c_1_2
90186  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
90187  h_to_c_2_3 = +2*alpha*h_to_c_1_2
90188  h_to_c_3_3 = +2*alpha*h_to_c_2_2
90189  h_to_c_0_4 = -1*h_to_c_1_3
90190  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
90191  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
90192  h_to_c_3_4 = +2*alpha*h_to_c_2_3
90193  h_to_c_4_4 = +2*alpha*h_to_c_3_3
90194  h_to_c_0_5 = -1*h_to_c_1_4
90195  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
90196  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
90197  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
90198  h_to_c_4_5 = +2*alpha*h_to_c_3_4
90199  h_to_c_5_5 = +2*alpha*h_to_c_4_4
90200  h_to_c_0_6 = -1*h_to_c_1_5
90201  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
90202  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
90203  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
90204  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
90205  h_to_c_5_6 = +2*alpha*h_to_c_4_5
90206  h_to_c_6_6 = +2*alpha*h_to_c_5_5
90207  h_to_c_0_7 = -1*h_to_c_1_6
90208  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
90209  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
90210  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
90211  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
90212  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
90213  h_to_c_6_7 = +2*alpha*h_to_c_5_6
90214  h_to_c_7_7 = +2*alpha*h_to_c_6_6
90215 
90216  exp_drsq = exp(-alpha*dr*dr)
90217  exp_2drsq = exp_drsq*exp_drsq
90218 
90219  rr1_delta = (ra - rb)/dr
90220 
90221  rr1_l = ceiling(-r_c(1) + rr1_delta)
90222  rr1_r = floor(r_c(1) + rr1_delta)
90223 
90224  r1 = rr1_l*dr
90225 
90226  alpha_e = zeta*zetb/(zeta + zetb)
90227 
90228  DO rr1 = rr1_l, rr1_r
90229  s_r_t_0 = 0.0_dp
90230  s_r_t2_0 = 0.0_dp
90231  s_r_t_1 = 0.0_dp
90232  s_r_t2_1 = 0.0_dp
90233  s_r_t_2 = 0.0_dp
90234  s_r_t2_2 = 0.0_dp
90235  s_r_t_3 = 0.0_dp
90236  s_r_t2_3 = 0.0_dp
90237  s_r_t_4 = 0.0_dp
90238  s_r_t2_4 = 0.0_dp
90239  s_r_t_5 = 0.0_dp
90240  s_r_t2_5 = 0.0_dp
90241  s_r_t_6 = 0.0_dp
90242  s_r_t2_6 = 0.0_dp
90243  s_r_t_7 = 0.0_dp
90244  s_r_t2_7 = 0.0_dp
90245  r_tmp = r_offset + r1*zeta/(zeta + zetb)
90246  rr2_delta = -r_tmp/dr
90247 
90248  rr2_l = ceiling(-r_c(2) + rr2_delta)
90249  rr2_r = floor(r_c(2) + rr2_delta)
90250 
90251  r = r_tmp + (rr2_l)*dr
90252 
90253  exp2_2rdr = exp(-2*alpha*r*dr)
90254  exp2_rsq = exp(-alpha*r*r)
90255 
90256  DO rr2 = rr2_l, rr2_r
90257  r_pow_t = 1.0_dp
90258  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
90259  r_pow_t = r_pow_t*r
90260  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
90261  r_pow_t = r_pow_t*r
90262  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
90263  r_pow_t = r_pow_t*r
90264  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
90265  r_pow_t = r_pow_t*r
90266  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
90267  r_pow_t = r_pow_t*r
90268  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
90269  r_pow_t = r_pow_t*r
90270  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
90271  r_pow_t = r_pow_t*r
90272  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
90273 
90274  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
90275  exp2_2rdr = exp2_2rdr*exp_2drsq
90276  r = r + dr
90277  END DO
90278 
90279  ! C --> H
90280  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
90281  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
90282  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
90283  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
90284  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
90285  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
90286  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
90287  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
90288  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
90289  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
90290  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
90291  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
90292  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
90293  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
90294  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
90295  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
90296  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
90297  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
90298  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
90299  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
90300  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
90301  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
90302  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
90303  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
90304  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
90305  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
90306  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
90307  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
90308  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
90309  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
90310  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
90311  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
90312  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
90313  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
90314  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
90315  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
90316 
90317  ! H --> HH
90318  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
90319 
90320  c1 = 1.0_dp/(zeta + zetb)
90321  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
90322  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
90323 
90324  e_0_1_0 = zeta*( &
90325  +c2*e_0_0_0&
90326 
90327  )
90328  e_0_0_1 = zetb*( &
90329  +c3*e_0_0_0&
90330 
90331  )
90332  e_1_1_0 = zeta*( c1*e_0_0_0 &
90333 
90334 
90335  )
90336  e_1_0_1 = zetb*( c1*e_0_0_0 &
90337 
90338 
90339  )
90340  e_0_2_0 = zeta*( &
90341  +c2*e_0_1_0&
90342  +2*e_1_1_0 &
90343  -2*e_0_0_0)
90344  e_0_1_1 = zetb*( &
90345  +c3*e_0_1_0&
90346  +2*e_1_1_0 &
90347  )
90348  e_1_2_0 = zeta*( c1*e_0_1_0 &
90349  +c2*e_1_1_0&
90350 
90351  )
90352  e_1_1_1 = zetb*( c1*e_0_1_0 &
90353  +c3*e_1_1_0&
90354 
90355  )
90356  e_2_2_0 = zeta*( c1*e_1_1_0 &
90357 
90358 
90359  )
90360  e_2_1_1 = zetb*( c1*e_1_1_0 &
90361 
90362 
90363  )
90364  e_0_3_0 = zeta*( &
90365  +c2*e_0_2_0&
90366  +2*e_1_2_0 &
90367  -4*e_0_1_0)
90368  e_0_2_1 = zetb*( &
90369  +c3*e_0_2_0&
90370  +2*e_1_2_0 &
90371  )
90372  e_1_3_0 = zeta*( c1*e_0_2_0 &
90373  +c2*e_1_2_0&
90374  +4*e_2_2_0 &
90375  -4*e_1_1_0)
90376  e_1_2_1 = zetb*( c1*e_0_2_0 &
90377  +c3*e_1_2_0&
90378  +4*e_2_2_0 &
90379  )
90380  e_2_3_0 = zeta*( c1*e_1_2_0 &
90381  +c2*e_2_2_0&
90382 
90383  )
90384  e_2_2_1 = zetb*( c1*e_1_2_0 &
90385  +c3*e_2_2_0&
90386 
90387  )
90388  e_3_3_0 = zeta*( c1*e_2_2_0 &
90389 
90390 
90391  )
90392  e_3_2_1 = zetb*( c1*e_2_2_0 &
90393 
90394 
90395  )
90396  e_0_3_1 = zetb*( &
90397  +c3*e_0_3_0&
90398  +2*e_1_3_0 &
90399  )
90400  e_1_3_1 = zetb*( c1*e_0_3_0 &
90401  +c3*e_1_3_0&
90402  +4*e_2_3_0 &
90403  )
90404  e_2_3_1 = zetb*( c1*e_1_3_0 &
90405  +c3*e_2_3_0&
90406  +6*e_3_3_0 &
90407  )
90408  e_3_3_1 = zetb*( c1*e_2_3_0 &
90409  +c3*e_3_3_0&
90410 
90411  )
90412  e_4_3_1 = zetb*( c1*e_3_3_0 &
90413 
90414 
90415  )
90416  e_0_1_1 = zeta*( &
90417  +c2*e_0_0_1&
90418  +2*e_1_0_1 &
90419  )
90420  e_0_0_2 = zetb*( &
90421  +c3*e_0_0_1&
90422  +2*e_1_0_1 &
90423  -2*e_0_0_0)
90424  e_1_1_1 = zeta*( c1*e_0_0_1 &
90425  +c2*e_1_0_1&
90426 
90427  )
90428  e_1_0_2 = zetb*( c1*e_0_0_1 &
90429  +c3*e_1_0_1&
90430 
90431  )
90432  e_2_1_1 = zeta*( c1*e_1_0_1 &
90433 
90434 
90435  )
90436  e_2_0_2 = zetb*( c1*e_1_0_1 &
90437 
90438 
90439  )
90440  e_0_2_1 = zeta*( &
90441  +c2*e_0_1_1&
90442  +2*e_1_1_1 &
90443  -2*e_0_0_1)
90444  e_0_1_2 = zetb*( &
90445  +c3*e_0_1_1&
90446  +2*e_1_1_1 &
90447  -2*e_0_1_0)
90448  e_1_2_1 = zeta*( c1*e_0_1_1 &
90449  +c2*e_1_1_1&
90450  +4*e_2_1_1 &
90451  -2*e_1_0_1)
90452  e_1_1_2 = zetb*( c1*e_0_1_1 &
90453  +c3*e_1_1_1&
90454  +4*e_2_1_1 &
90455  -2*e_1_1_0)
90456  e_2_2_1 = zeta*( c1*e_1_1_1 &
90457  +c2*e_2_1_1&
90458 
90459  )
90460  e_2_1_2 = zetb*( c1*e_1_1_1 &
90461  +c3*e_2_1_1&
90462 
90463  )
90464  e_3_2_1 = zeta*( c1*e_2_1_1 &
90465 
90466 
90467  )
90468  e_3_1_2 = zetb*( c1*e_2_1_1 &
90469 
90470 
90471  )
90472  e_0_3_1 = zeta*( &
90473  +c2*e_0_2_1&
90474  +2*e_1_2_1 &
90475  -4*e_0_1_1)
90476  e_0_2_2 = zetb*( &
90477  +c3*e_0_2_1&
90478  +2*e_1_2_1 &
90479  -2*e_0_2_0)
90480  e_1_3_1 = zeta*( c1*e_0_2_1 &
90481  +c2*e_1_2_1&
90482  +4*e_2_2_1 &
90483  -4*e_1_1_1)
90484  e_1_2_2 = zetb*( c1*e_0_2_1 &
90485  +c3*e_1_2_1&
90486  +4*e_2_2_1 &
90487  -2*e_1_2_0)
90488  e_2_3_1 = zeta*( c1*e_1_2_1 &
90489  +c2*e_2_2_1&
90490  +6*e_3_2_1 &
90491  -4*e_2_1_1)
90492  e_2_2_2 = zetb*( c1*e_1_2_1 &
90493  +c3*e_2_2_1&
90494  +6*e_3_2_1 &
90495  -2*e_2_2_0)
90496  e_3_3_1 = zeta*( c1*e_2_2_1 &
90497  +c2*e_3_2_1&
90498 
90499  )
90500  e_3_2_2 = zetb*( c1*e_2_2_1 &
90501  +c3*e_3_2_1&
90502 
90503  )
90504  e_4_3_1 = zeta*( c1*e_3_2_1 &
90505 
90506 
90507  )
90508  e_4_2_2 = zetb*( c1*e_3_2_1 &
90509 
90510 
90511  )
90512  e_0_3_2 = zetb*( &
90513  +c3*e_0_3_1&
90514  +2*e_1_3_1 &
90515  -2*e_0_3_0)
90516  e_1_3_2 = zetb*( c1*e_0_3_1 &
90517  +c3*e_1_3_1&
90518  +4*e_2_3_1 &
90519  -2*e_1_3_0)
90520  e_2_3_2 = zetb*( c1*e_1_3_1 &
90521  +c3*e_2_3_1&
90522  +6*e_3_3_1 &
90523  -2*e_2_3_0)
90524  e_3_3_2 = zetb*( c1*e_2_3_1 &
90525  +c3*e_3_3_1&
90526  +8*e_4_3_1 &
90527  -2*e_3_3_0)
90528  e_4_3_2 = zetb*( c1*e_3_3_1 &
90529  +c3*e_4_3_1&
90530 
90531  )
90532  e_5_3_2 = zetb*( c1*e_4_3_1 &
90533 
90534 
90535  )
90536  e_0_1_2 = zeta*( &
90537  +c2*e_0_0_2&
90538  +2*e_1_0_2 &
90539  )
90540  e_0_0_3 = zetb*( &
90541  +c3*e_0_0_2&
90542  +2*e_1_0_2 &
90543  -4*e_0_0_1)
90544  e_1_1_2 = zeta*( c1*e_0_0_2 &
90545  +c2*e_1_0_2&
90546  +4*e_2_0_2 &
90547  )
90548  e_1_0_3 = zetb*( c1*e_0_0_2 &
90549  +c3*e_1_0_2&
90550  +4*e_2_0_2 &
90551  -4*e_1_0_1)
90552  e_2_1_2 = zeta*( c1*e_1_0_2 &
90553  +c2*e_2_0_2&
90554 
90555  )
90556  e_2_0_3 = zetb*( c1*e_1_0_2 &
90557  +c3*e_2_0_2&
90558 
90559  )
90560  e_3_1_2 = zeta*( c1*e_2_0_2 &
90561 
90562 
90563  )
90564  e_3_0_3 = zetb*( c1*e_2_0_2 &
90565 
90566 
90567  )
90568  e_0_2_2 = zeta*( &
90569  +c2*e_0_1_2&
90570  +2*e_1_1_2 &
90571  -2*e_0_0_2)
90572  e_0_1_3 = zetb*( &
90573  +c3*e_0_1_2&
90574  +2*e_1_1_2 &
90575  -4*e_0_1_1)
90576  e_1_2_2 = zeta*( c1*e_0_1_2 &
90577  +c2*e_1_1_2&
90578  +4*e_2_1_2 &
90579  -2*e_1_0_2)
90580  e_1_1_3 = zetb*( c1*e_0_1_2 &
90581  +c3*e_1_1_2&
90582  +4*e_2_1_2 &
90583  -4*e_1_1_1)
90584  e_2_2_2 = zeta*( c1*e_1_1_2 &
90585  +c2*e_2_1_2&
90586  +6*e_3_1_2 &
90587  -2*e_2_0_2)
90588  e_2_1_3 = zetb*( c1*e_1_1_2 &
90589  +c3*e_2_1_2&
90590  +6*e_3_1_2 &
90591  -4*e_2_1_1)
90592  e_3_2_2 = zeta*( c1*e_2_1_2 &
90593  +c2*e_3_1_2&
90594 
90595  )
90596  e_3_1_3 = zetb*( c1*e_2_1_2 &
90597  +c3*e_3_1_2&
90598 
90599  )
90600  e_4_2_2 = zeta*( c1*e_3_1_2 &
90601 
90602 
90603  )
90604  e_4_1_3 = zetb*( c1*e_3_1_2 &
90605 
90606 
90607  )
90608  e_0_3_2 = zeta*( &
90609  +c2*e_0_2_2&
90610  +2*e_1_2_2 &
90611  -4*e_0_1_2)
90612  e_0_2_3 = zetb*( &
90613  +c3*e_0_2_2&
90614  +2*e_1_2_2 &
90615  -4*e_0_2_1)
90616  e_1_3_2 = zeta*( c1*e_0_2_2 &
90617  +c2*e_1_2_2&
90618  +4*e_2_2_2 &
90619  -4*e_1_1_2)
90620  e_1_2_3 = zetb*( c1*e_0_2_2 &
90621  +c3*e_1_2_2&
90622  +4*e_2_2_2 &
90623  -4*e_1_2_1)
90624  e_2_3_2 = zeta*( c1*e_1_2_2 &
90625  +c2*e_2_2_2&
90626  +6*e_3_2_2 &
90627  -4*e_2_1_2)
90628  e_2_2_3 = zetb*( c1*e_1_2_2 &
90629  +c3*e_2_2_2&
90630  +6*e_3_2_2 &
90631  -4*e_2_2_1)
90632  e_3_3_2 = zeta*( c1*e_2_2_2 &
90633  +c2*e_3_2_2&
90634  +8*e_4_2_2 &
90635  -4*e_3_1_2)
90636  e_3_2_3 = zetb*( c1*e_2_2_2 &
90637  +c3*e_3_2_2&
90638  +8*e_4_2_2 &
90639  -4*e_3_2_1)
90640  e_4_3_2 = zeta*( c1*e_3_2_2 &
90641  +c2*e_4_2_2&
90642 
90643  )
90644  e_4_2_3 = zetb*( c1*e_3_2_2 &
90645  +c3*e_4_2_2&
90646 
90647  )
90648  e_5_3_2 = zeta*( c1*e_4_2_2 &
90649 
90650 
90651  )
90652  e_5_2_3 = zetb*( c1*e_4_2_2 &
90653 
90654 
90655  )
90656  e_0_3_3 = zetb*( &
90657  +c3*e_0_3_2&
90658  +2*e_1_3_2 &
90659  -4*e_0_3_1)
90660  e_1_3_3 = zetb*( c1*e_0_3_2 &
90661  +c3*e_1_3_2&
90662  +4*e_2_3_2 &
90663  -4*e_1_3_1)
90664  e_2_3_3 = zetb*( c1*e_1_3_2 &
90665  +c3*e_2_3_2&
90666  +6*e_3_3_2 &
90667  -4*e_2_3_1)
90668  e_3_3_3 = zetb*( c1*e_2_3_2 &
90669  +c3*e_3_3_2&
90670  +8*e_4_3_2 &
90671  -4*e_3_3_1)
90672  e_4_3_3 = zetb*( c1*e_3_3_2 &
90673  +c3*e_4_3_2&
90674  +10*e_5_3_2 &
90675  -4*e_4_3_1)
90676  e_5_3_3 = zetb*( c1*e_4_3_2 &
90677  +c3*e_5_3_2&
90678 
90679  )
90680  e_6_3_3 = zetb*( c1*e_5_3_2 &
90681 
90682 
90683  )
90684  e_0_1_3 = zeta*( &
90685  +c2*e_0_0_3&
90686  +2*e_1_0_3 &
90687  )
90688  e_1_1_3 = zeta*( c1*e_0_0_3 &
90689  +c2*e_1_0_3&
90690  +4*e_2_0_3 &
90691  )
90692  e_2_1_3 = zeta*( c1*e_1_0_3 &
90693  +c2*e_2_0_3&
90694  +6*e_3_0_3 &
90695  )
90696  e_3_1_3 = zeta*( c1*e_2_0_3 &
90697  +c2*e_3_0_3&
90698 
90699  )
90700  e_4_1_3 = zeta*( c1*e_3_0_3 &
90701 
90702 
90703  )
90704  e_0_2_3 = zeta*( &
90705  +c2*e_0_1_3&
90706  +2*e_1_1_3 &
90707  -2*e_0_0_3)
90708  e_1_2_3 = zeta*( c1*e_0_1_3 &
90709  +c2*e_1_1_3&
90710  +4*e_2_1_3 &
90711  -2*e_1_0_3)
90712  e_2_2_3 = zeta*( c1*e_1_1_3 &
90713  +c2*e_2_1_3&
90714  +6*e_3_1_3 &
90715  -2*e_2_0_3)
90716  e_3_2_3 = zeta*( c1*e_2_1_3 &
90717  +c2*e_3_1_3&
90718  +8*e_4_1_3 &
90719  -2*e_3_0_3)
90720  e_4_2_3 = zeta*( c1*e_3_1_3 &
90721  +c2*e_4_1_3&
90722 
90723  )
90724  e_5_2_3 = zeta*( c1*e_4_1_3 &
90725 
90726 
90727  )
90728  e_0_3_3 = zeta*( &
90729  +c2*e_0_2_3&
90730  +2*e_1_2_3 &
90731  -4*e_0_1_3)
90732  e_1_3_3 = zeta*( c1*e_0_2_3 &
90733  +c2*e_1_2_3&
90734  +4*e_2_2_3 &
90735  -4*e_1_1_3)
90736  e_2_3_3 = zeta*( c1*e_1_2_3 &
90737  +c2*e_2_2_3&
90738  +6*e_3_2_3 &
90739  -4*e_2_1_3)
90740  e_3_3_3 = zeta*( c1*e_2_2_3 &
90741  +c2*e_3_2_3&
90742  +8*e_4_2_3 &
90743  -4*e_3_1_3)
90744  e_4_3_3 = zeta*( c1*e_3_2_3 &
90745  +c2*e_4_2_3&
90746  +10*e_5_2_3 &
90747  -4*e_4_1_3)
90748  e_5_3_3 = zeta*( c1*e_4_2_3 &
90749  +c2*e_5_2_3&
90750 
90751  )
90752  e_6_3_3 = zeta*( c1*e_5_2_3 &
90753 
90754 
90755  )
90756 
90757  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
90758  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
90759  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
90760  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
90761  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
90762  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
90763  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
90764  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
90765  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
90766  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
90767  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
90768  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
90769  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
90770  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
90771  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
90772  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
90773  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
90774  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
90775  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
90776  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
90777  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
90778  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
90779  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
90780  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
90781  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
90782  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
90783  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
90784  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
90785  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
90786  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
90787  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
90788  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
90789  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
90790  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
90791  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
90792  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
90793  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
90794  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
90795  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
90796  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
90797  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
90798  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
90799  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
90800  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
90801  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
90802  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
90803  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
90804  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
90805  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
90806  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
90807  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
90808  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
90809  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
90810  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
90811  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
90812  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
90813  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
90814  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
90815  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
90816  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
90817  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
90818  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
90819  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
90820  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
90821  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
90822  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
90823  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
90824  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
90825  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
90826  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
90827  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
90828  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
90829  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
90830  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
90831  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
90832  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
90833  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
90834  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
90835  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
90836  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
90837  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
90838  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
90839  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
90840  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
90841  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
90842  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
90843  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
90844  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
90845  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
90846  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
90847  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
90848  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
90849  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
90850  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
90851  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
90852  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
90853  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
90854  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
90855  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
90856  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
90857  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
90858  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
90859  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
90860  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
90861  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
90862  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
90863  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
90864  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
90865  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
90866  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
90867  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
90868  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
90869  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
90870  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
90871  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
90872  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
90873  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
90874  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
90875  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
90876  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
90877  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
90878  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
90879  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
90880  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
90881  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
90882  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
90883  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
90884  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
90885  r1 = r1 + dr
90886  END DO
90887 
90888  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
90889  END SUBROUTINE
90890  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_3_2_exp_1 ( &
90891  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
90892  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
90893  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
90894  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
90895  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
90896  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
90897  r_pow_t, r_tmp, rr1_delta, rr2_delta
90898 
90899  REAL(kind=dp) :: c1, c2, c3
90900  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
90901  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
90902  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
90903  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
90904  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
90905  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
90906  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
90907  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
90908  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
90909  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
90910  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
90911  & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3
90912 
90913  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
90914 
90915  dr = lgth
90916  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
90917 
90918  s_r(:, :, :) = 0.0_dp
90919 
90920  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
90921 
90922  h_to_c_0_0 = sqrt(alpha/pi)
90923 
90924  h_to_c_0_1 = 0.0_dp
90925  h_to_c_1_1 = +2*alpha*h_to_c_0_0
90926  h_to_c_0_2 = -1*h_to_c_1_1
90927  h_to_c_1_2 = +2*alpha*h_to_c_0_1
90928  h_to_c_2_2 = +2*alpha*h_to_c_1_1
90929  h_to_c_0_3 = -1*h_to_c_1_2
90930  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
90931  h_to_c_2_3 = +2*alpha*h_to_c_1_2
90932  h_to_c_3_3 = +2*alpha*h_to_c_2_2
90933  h_to_c_0_4 = -1*h_to_c_1_3
90934  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
90935  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
90936  h_to_c_3_4 = +2*alpha*h_to_c_2_3
90937  h_to_c_4_4 = +2*alpha*h_to_c_3_3
90938  h_to_c_0_5 = -1*h_to_c_1_4
90939  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
90940  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
90941  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
90942  h_to_c_4_5 = +2*alpha*h_to_c_3_4
90943  h_to_c_5_5 = +2*alpha*h_to_c_4_4
90944  h_to_c_0_6 = -1*h_to_c_1_5
90945  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
90946  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
90947  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
90948  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
90949  h_to_c_5_6 = +2*alpha*h_to_c_4_5
90950  h_to_c_6_6 = +2*alpha*h_to_c_5_5
90951  h_to_c_0_7 = -1*h_to_c_1_6
90952  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
90953  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
90954  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
90955  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
90956  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
90957  h_to_c_6_7 = +2*alpha*h_to_c_5_6
90958  h_to_c_7_7 = +2*alpha*h_to_c_6_6
90959  h_to_c_0_8 = -1*h_to_c_1_7
90960  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
90961  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
90962  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
90963  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
90964  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
90965  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
90966  h_to_c_7_8 = +2*alpha*h_to_c_6_7
90967  h_to_c_8_8 = +2*alpha*h_to_c_7_7
90968 
90969  exp_drsq = exp(-alpha*dr*dr)
90970  exp_2drsq = exp_drsq*exp_drsq
90971 
90972  rr1_delta = (ra - rb)/dr
90973 
90974  rr1_l = ceiling(-r_c(1) + rr1_delta)
90975  rr1_r = floor(r_c(1) + rr1_delta)
90976 
90977  r1 = rr1_l*dr
90978 
90979  alpha_e = zeta*zetb/(zeta + zetb)
90980 
90981  DO rr1 = rr1_l, rr1_r
90982  s_r_t_0 = 0.0_dp
90983  s_r_t2_0 = 0.0_dp
90984  s_r_t_1 = 0.0_dp
90985  s_r_t2_1 = 0.0_dp
90986  s_r_t_2 = 0.0_dp
90987  s_r_t2_2 = 0.0_dp
90988  s_r_t_3 = 0.0_dp
90989  s_r_t2_3 = 0.0_dp
90990  s_r_t_4 = 0.0_dp
90991  s_r_t2_4 = 0.0_dp
90992  s_r_t_5 = 0.0_dp
90993  s_r_t2_5 = 0.0_dp
90994  s_r_t_6 = 0.0_dp
90995  s_r_t2_6 = 0.0_dp
90996  s_r_t_7 = 0.0_dp
90997  s_r_t2_7 = 0.0_dp
90998  s_r_t_8 = 0.0_dp
90999  s_r_t2_8 = 0.0_dp
91000  r_tmp = r_offset + r1*zeta/(zeta + zetb)
91001  rr2_delta = -r_tmp/dr
91002 
91003  rr2_l = ceiling(-r_c(2) + rr2_delta)
91004  rr2_r = floor(r_c(2) + rr2_delta)
91005 
91006  r = r_tmp + (rr2_l)*dr
91007 
91008  exp2_2rdr = exp(-2*alpha*r*dr)
91009  exp2_rsq = exp(-alpha*r*r)
91010 
91011  DO rr2 = rr2_l, rr2_r
91012  r_pow_t = 1.0_dp
91013  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
91014  r_pow_t = r_pow_t*r
91015  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
91016  r_pow_t = r_pow_t*r
91017  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
91018  r_pow_t = r_pow_t*r
91019  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
91020  r_pow_t = r_pow_t*r
91021  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
91022  r_pow_t = r_pow_t*r
91023  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
91024  r_pow_t = r_pow_t*r
91025  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
91026  r_pow_t = r_pow_t*r
91027  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
91028  r_pow_t = r_pow_t*r
91029  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
91030 
91031  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
91032  exp2_2rdr = exp2_2rdr*exp_2drsq
91033  r = r + dr
91034  END DO
91035 
91036  ! C --> H
91037  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
91038  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
91039  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
91040  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
91041  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
91042  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
91043  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
91044  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
91045  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
91046  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
91047  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
91048  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
91049  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
91050  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
91051  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
91052  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
91053  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
91054  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
91055  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
91056  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
91057  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
91058  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
91059  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
91060  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
91061  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
91062  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
91063  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
91064  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
91065  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
91066  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
91067  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
91068  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
91069  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
91070  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
91071  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
91072  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
91073  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
91074  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
91075  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
91076  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
91077  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
91078  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
91079  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
91080  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
91081  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
91082 
91083  ! H --> HH
91084  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
91085 
91086  c1 = 1.0_dp/(zeta + zetb)
91087  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
91088  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
91089 
91090  e_0_1_0 = zeta*( &
91091  +c2*e_0_0_0&
91092 
91093  )
91094  e_0_0_1 = zetb*( &
91095  +c3*e_0_0_0&
91096 
91097  )
91098  e_1_1_0 = zeta*( c1*e_0_0_0 &
91099 
91100 
91101  )
91102  e_1_0_1 = zetb*( c1*e_0_0_0 &
91103 
91104 
91105  )
91106  e_0_2_0 = zeta*( &
91107  +c2*e_0_1_0&
91108  +2*e_1_1_0 &
91109  -2*e_0_0_0)
91110  e_0_1_1 = zetb*( &
91111  +c3*e_0_1_0&
91112  +2*e_1_1_0 &
91113  )
91114  e_1_2_0 = zeta*( c1*e_0_1_0 &
91115  +c2*e_1_1_0&
91116 
91117  )
91118  e_1_1_1 = zetb*( c1*e_0_1_0 &
91119  +c3*e_1_1_0&
91120 
91121  )
91122  e_2_2_0 = zeta*( c1*e_1_1_0 &
91123 
91124 
91125  )
91126  e_2_1_1 = zetb*( c1*e_1_1_0 &
91127 
91128 
91129  )
91130  e_0_3_0 = zeta*( &
91131  +c2*e_0_2_0&
91132  +2*e_1_2_0 &
91133  -4*e_0_1_0)
91134  e_0_2_1 = zetb*( &
91135  +c3*e_0_2_0&
91136  +2*e_1_2_0 &
91137  )
91138  e_1_3_0 = zeta*( c1*e_0_2_0 &
91139  +c2*e_1_2_0&
91140  +4*e_2_2_0 &
91141  -4*e_1_1_0)
91142  e_1_2_1 = zetb*( c1*e_0_2_0 &
91143  +c3*e_1_2_0&
91144  +4*e_2_2_0 &
91145  )
91146  e_2_3_0 = zeta*( c1*e_1_2_0 &
91147  +c2*e_2_2_0&
91148 
91149  )
91150  e_2_2_1 = zetb*( c1*e_1_2_0 &
91151  +c3*e_2_2_0&
91152 
91153  )
91154  e_3_3_0 = zeta*( c1*e_2_2_0 &
91155 
91156 
91157  )
91158  e_3_2_1 = zetb*( c1*e_2_2_0 &
91159 
91160 
91161  )
91162  e_0_3_1 = zetb*( &
91163  +c3*e_0_3_0&
91164  +2*e_1_3_0 &
91165  )
91166  e_1_3_1 = zetb*( c1*e_0_3_0 &
91167  +c3*e_1_3_0&
91168  +4*e_2_3_0 &
91169  )
91170  e_2_3_1 = zetb*( c1*e_1_3_0 &
91171  +c3*e_2_3_0&
91172  +6*e_3_3_0 &
91173  )
91174  e_3_3_1 = zetb*( c1*e_2_3_0 &
91175  +c3*e_3_3_0&
91176 
91177  )
91178  e_4_3_1 = zetb*( c1*e_3_3_0 &
91179 
91180 
91181  )
91182  e_0_1_1 = zeta*( &
91183  +c2*e_0_0_1&
91184  +2*e_1_0_1 &
91185  )
91186  e_0_0_2 = zetb*( &
91187  +c3*e_0_0_1&
91188  +2*e_1_0_1 &
91189  -2*e_0_0_0)
91190  e_1_1_1 = zeta*( c1*e_0_0_1 &
91191  +c2*e_1_0_1&
91192 
91193  )
91194  e_1_0_2 = zetb*( c1*e_0_0_1 &
91195  +c3*e_1_0_1&
91196 
91197  )
91198  e_2_1_1 = zeta*( c1*e_1_0_1 &
91199 
91200 
91201  )
91202  e_2_0_2 = zetb*( c1*e_1_0_1 &
91203 
91204 
91205  )
91206  e_0_2_1 = zeta*( &
91207  +c2*e_0_1_1&
91208  +2*e_1_1_1 &
91209  -2*e_0_0_1)
91210  e_0_1_2 = zetb*( &
91211  +c3*e_0_1_1&
91212  +2*e_1_1_1 &
91213  -2*e_0_1_0)
91214  e_1_2_1 = zeta*( c1*e_0_1_1 &
91215  +c2*e_1_1_1&
91216  +4*e_2_1_1 &
91217  -2*e_1_0_1)
91218  e_1_1_2 = zetb*( c1*e_0_1_1 &
91219  +c3*e_1_1_1&
91220  +4*e_2_1_1 &
91221  -2*e_1_1_0)
91222  e_2_2_1 = zeta*( c1*e_1_1_1 &
91223  +c2*e_2_1_1&
91224 
91225  )
91226  e_2_1_2 = zetb*( c1*e_1_1_1 &
91227  +c3*e_2_1_1&
91228 
91229  )
91230  e_3_2_1 = zeta*( c1*e_2_1_1 &
91231 
91232 
91233  )
91234  e_3_1_2 = zetb*( c1*e_2_1_1 &
91235 
91236 
91237  )
91238  e_0_3_1 = zeta*( &
91239  +c2*e_0_2_1&
91240  +2*e_1_2_1 &
91241  -4*e_0_1_1)
91242  e_0_2_2 = zetb*( &
91243  +c3*e_0_2_1&
91244  +2*e_1_2_1 &
91245  -2*e_0_2_0)
91246  e_1_3_1 = zeta*( c1*e_0_2_1 &
91247  +c2*e_1_2_1&
91248  +4*e_2_2_1 &
91249  -4*e_1_1_1)
91250  e_1_2_2 = zetb*( c1*e_0_2_1 &
91251  +c3*e_1_2_1&
91252  +4*e_2_2_1 &
91253  -2*e_1_2_0)
91254  e_2_3_1 = zeta*( c1*e_1_2_1 &
91255  +c2*e_2_2_1&
91256  +6*e_3_2_1 &
91257  -4*e_2_1_1)
91258  e_2_2_2 = zetb*( c1*e_1_2_1 &
91259  +c3*e_2_2_1&
91260  +6*e_3_2_1 &
91261  -2*e_2_2_0)
91262  e_3_3_1 = zeta*( c1*e_2_2_1 &
91263  +c2*e_3_2_1&
91264 
91265  )
91266  e_3_2_2 = zetb*( c1*e_2_2_1 &
91267  +c3*e_3_2_1&
91268 
91269  )
91270  e_4_3_1 = zeta*( c1*e_3_2_1 &
91271 
91272 
91273  )
91274  e_4_2_2 = zetb*( c1*e_3_2_1 &
91275 
91276 
91277  )
91278  e_0_3_2 = zetb*( &
91279  +c3*e_0_3_1&
91280  +2*e_1_3_1 &
91281  -2*e_0_3_0)
91282  e_1_3_2 = zetb*( c1*e_0_3_1 &
91283  +c3*e_1_3_1&
91284  +4*e_2_3_1 &
91285  -2*e_1_3_0)
91286  e_2_3_2 = zetb*( c1*e_1_3_1 &
91287  +c3*e_2_3_1&
91288  +6*e_3_3_1 &
91289  -2*e_2_3_0)
91290  e_3_3_2 = zetb*( c1*e_2_3_1 &
91291  +c3*e_3_3_1&
91292  +8*e_4_3_1 &
91293  -2*e_3_3_0)
91294  e_4_3_2 = zetb*( c1*e_3_3_1 &
91295  +c3*e_4_3_1&
91296 
91297  )
91298  e_5_3_2 = zetb*( c1*e_4_3_1 &
91299 
91300 
91301  )
91302  e_0_1_2 = zeta*( &
91303  +c2*e_0_0_2&
91304  +2*e_1_0_2 &
91305  )
91306  e_0_0_3 = zetb*( &
91307  +c3*e_0_0_2&
91308  +2*e_1_0_2 &
91309  -4*e_0_0_1)
91310  e_1_1_2 = zeta*( c1*e_0_0_2 &
91311  +c2*e_1_0_2&
91312  +4*e_2_0_2 &
91313  )
91314  e_1_0_3 = zetb*( c1*e_0_0_2 &
91315  +c3*e_1_0_2&
91316  +4*e_2_0_2 &
91317  -4*e_1_0_1)
91318  e_2_1_2 = zeta*( c1*e_1_0_2 &
91319  +c2*e_2_0_2&
91320 
91321  )
91322  e_2_0_3 = zetb*( c1*e_1_0_2 &
91323  +c3*e_2_0_2&
91324 
91325  )
91326  e_3_1_2 = zeta*( c1*e_2_0_2 &
91327 
91328 
91329  )
91330  e_3_0_3 = zetb*( c1*e_2_0_2 &
91331 
91332 
91333  )
91334  e_0_2_2 = zeta*( &
91335  +c2*e_0_1_2&
91336  +2*e_1_1_2 &
91337  -2*e_0_0_2)
91338  e_0_1_3 = zetb*( &
91339  +c3*e_0_1_2&
91340  +2*e_1_1_2 &
91341  -4*e_0_1_1)
91342  e_1_2_2 = zeta*( c1*e_0_1_2 &
91343  +c2*e_1_1_2&
91344  +4*e_2_1_2 &
91345  -2*e_1_0_2)
91346  e_1_1_3 = zetb*( c1*e_0_1_2 &
91347  +c3*e_1_1_2&
91348  +4*e_2_1_2 &
91349  -4*e_1_1_1)
91350  e_2_2_2 = zeta*( c1*e_1_1_2 &
91351  +c2*e_2_1_2&
91352  +6*e_3_1_2 &
91353  -2*e_2_0_2)
91354  e_2_1_3 = zetb*( c1*e_1_1_2 &
91355  +c3*e_2_1_2&
91356  +6*e_3_1_2 &
91357  -4*e_2_1_1)
91358  e_3_2_2 = zeta*( c1*e_2_1_2 &
91359  +c2*e_3_1_2&
91360 
91361  )
91362  e_3_1_3 = zetb*( c1*e_2_1_2 &
91363  +c3*e_3_1_2&
91364 
91365  )
91366  e_4_2_2 = zeta*( c1*e_3_1_2 &
91367 
91368 
91369  )
91370  e_4_1_3 = zetb*( c1*e_3_1_2 &
91371 
91372 
91373  )
91374  e_0_3_2 = zeta*( &
91375  +c2*e_0_2_2&
91376  +2*e_1_2_2 &
91377  -4*e_0_1_2)
91378  e_0_2_3 = zetb*( &
91379  +c3*e_0_2_2&
91380  +2*e_1_2_2 &
91381  -4*e_0_2_1)
91382  e_1_3_2 = zeta*( c1*e_0_2_2 &
91383  +c2*e_1_2_2&
91384  +4*e_2_2_2 &
91385  -4*e_1_1_2)
91386  e_1_2_3 = zetb*( c1*e_0_2_2 &
91387  +c3*e_1_2_2&
91388  +4*e_2_2_2 &
91389  -4*e_1_2_1)
91390  e_2_3_2 = zeta*( c1*e_1_2_2 &
91391  +c2*e_2_2_2&
91392  +6*e_3_2_2 &
91393  -4*e_2_1_2)
91394  e_2_2_3 = zetb*( c1*e_1_2_2 &
91395  +c3*e_2_2_2&
91396  +6*e_3_2_2 &
91397  -4*e_2_2_1)
91398  e_3_3_2 = zeta*( c1*e_2_2_2 &
91399  +c2*e_3_2_2&
91400  +8*e_4_2_2 &
91401  -4*e_3_1_2)
91402  e_3_2_3 = zetb*( c1*e_2_2_2 &
91403  +c3*e_3_2_2&
91404  +8*e_4_2_2 &
91405  -4*e_3_2_1)
91406  e_4_3_2 = zeta*( c1*e_3_2_2 &
91407  +c2*e_4_2_2&
91408 
91409  )
91410  e_4_2_3 = zetb*( c1*e_3_2_2 &
91411  +c3*e_4_2_2&
91412 
91413  )
91414  e_5_3_2 = zeta*( c1*e_4_2_2 &
91415 
91416 
91417  )
91418  e_5_2_3 = zetb*( c1*e_4_2_2 &
91419 
91420 
91421  )
91422  e_0_3_3 = zetb*( &
91423  +c3*e_0_3_2&
91424  +2*e_1_3_2 &
91425  -4*e_0_3_1)
91426  e_1_3_3 = zetb*( c1*e_0_3_2 &
91427  +c3*e_1_3_2&
91428  +4*e_2_3_2 &
91429  -4*e_1_3_1)
91430  e_2_3_3 = zetb*( c1*e_1_3_2 &
91431  +c3*e_2_3_2&
91432  +6*e_3_3_2 &
91433  -4*e_2_3_1)
91434  e_3_3_3 = zetb*( c1*e_2_3_2 &
91435  +c3*e_3_3_2&
91436  +8*e_4_3_2 &
91437  -4*e_3_3_1)
91438  e_4_3_3 = zetb*( c1*e_3_3_2 &
91439  +c3*e_4_3_2&
91440  +10*e_5_3_2 &
91441  -4*e_4_3_1)
91442  e_5_3_3 = zetb*( c1*e_4_3_2 &
91443  +c3*e_5_3_2&
91444 
91445  )
91446  e_6_3_3 = zetb*( c1*e_5_3_2 &
91447 
91448 
91449  )
91450  e_0_1_3 = zeta*( &
91451  +c2*e_0_0_3&
91452  +2*e_1_0_3 &
91453  )
91454  e_1_1_3 = zeta*( c1*e_0_0_3 &
91455  +c2*e_1_0_3&
91456  +4*e_2_0_3 &
91457  )
91458  e_2_1_3 = zeta*( c1*e_1_0_3 &
91459  +c2*e_2_0_3&
91460  +6*e_3_0_3 &
91461  )
91462  e_3_1_3 = zeta*( c1*e_2_0_3 &
91463  +c2*e_3_0_3&
91464 
91465  )
91466  e_4_1_3 = zeta*( c1*e_3_0_3 &
91467 
91468 
91469  )
91470  e_0_2_3 = zeta*( &
91471  +c2*e_0_1_3&
91472  +2*e_1_1_3 &
91473  -2*e_0_0_3)
91474  e_1_2_3 = zeta*( c1*e_0_1_3 &
91475  +c2*e_1_1_3&
91476  +4*e_2_1_3 &
91477  -2*e_1_0_3)
91478  e_2_2_3 = zeta*( c1*e_1_1_3 &
91479  +c2*e_2_1_3&
91480  +6*e_3_1_3 &
91481  -2*e_2_0_3)
91482  e_3_2_3 = zeta*( c1*e_2_1_3 &
91483  +c2*e_3_1_3&
91484  +8*e_4_1_3 &
91485  -2*e_3_0_3)
91486  e_4_2_3 = zeta*( c1*e_3_1_3 &
91487  +c2*e_4_1_3&
91488 
91489  )
91490  e_5_2_3 = zeta*( c1*e_4_1_3 &
91491 
91492 
91493  )
91494  e_0_3_3 = zeta*( &
91495  +c2*e_0_2_3&
91496  +2*e_1_2_3 &
91497  -4*e_0_1_3)
91498  e_1_3_3 = zeta*( c1*e_0_2_3 &
91499  +c2*e_1_2_3&
91500  +4*e_2_2_3 &
91501  -4*e_1_1_3)
91502  e_2_3_3 = zeta*( c1*e_1_2_3 &
91503  +c2*e_2_2_3&
91504  +6*e_3_2_3 &
91505  -4*e_2_1_3)
91506  e_3_3_3 = zeta*( c1*e_2_2_3 &
91507  +c2*e_3_2_3&
91508  +8*e_4_2_3 &
91509  -4*e_3_1_3)
91510  e_4_3_3 = zeta*( c1*e_3_2_3 &
91511  +c2*e_4_2_3&
91512  +10*e_5_2_3 &
91513  -4*e_4_1_3)
91514  e_5_3_3 = zeta*( c1*e_4_2_3 &
91515  +c2*e_5_2_3&
91516 
91517  )
91518  e_6_3_3 = zeta*( c1*e_5_2_3 &
91519 
91520 
91521  )
91522 
91523  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
91524  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
91525  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
91526  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
91527  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
91528  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
91529  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
91530  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
91531  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
91532  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
91533  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
91534  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
91535  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
91536  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
91537  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
91538  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
91539  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
91540  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
91541  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
91542  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
91543  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
91544  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
91545  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
91546  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
91547  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
91548  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
91549  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
91550  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
91551  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
91552  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
91553  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
91554  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
91555  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
91556  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
91557  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
91558  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
91559  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
91560  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
91561  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
91562  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
91563  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
91564  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
91565  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
91566  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
91567  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
91568  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
91569  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
91570  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
91571  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
91572  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
91573  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
91574  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
91575  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
91576  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
91577  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
91578  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
91579  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
91580  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
91581  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
91582  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
91583  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
91584  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
91585  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
91586  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
91587  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
91588  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
91589  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
91590  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
91591  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
91592  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
91593  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
91594  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
91595  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
91596  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
91597  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
91598  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
91599  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
91600  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
91601  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
91602  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
91603  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
91604  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
91605  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
91606  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
91607  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
91608  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
91609  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
91610  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
91611  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
91612  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
91613  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
91614  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
91615  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
91616  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
91617  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
91618  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
91619  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
91620  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
91621  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
91622  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
91623  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
91624  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
91625  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
91626  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
91627  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
91628  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
91629  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
91630  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
91631  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
91632  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
91633  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
91634  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
91635  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
91636  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
91637  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
91638  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
91639  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
91640  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
91641  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
91642  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
91643  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
91644  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
91645  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
91646  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
91647  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
91648  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
91649  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
91650  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
91651  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
91652  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
91653  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
91654  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
91655  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
91656  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
91657  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
91658  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
91659  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
91660  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
91661  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
91662  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
91663  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
91664  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
91665  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
91666  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
91667  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
91668  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
91669  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
91670  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
91671  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
91672  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
91673  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
91674  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
91675  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
91676  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
91677  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
91678  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
91679  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
91680  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
91681  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
91682  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
91683  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
91684  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
91685  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
91686  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
91687  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
91688  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
91689  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
91690  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
91691  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
91692  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
91693  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
91694  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
91695  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
91696  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
91697  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
91698  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
91699  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
91700  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
91701  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
91702  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
91703  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
91704  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
91705  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
91706  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
91707  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
91708  s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
91709  s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
91710  s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
91711  s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
91712  s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
91713  s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
91714  s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
91715  r1 = r1 + dr
91716  END DO
91717 
91718  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
91719  END SUBROUTINE
91720  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_3_3_exp_1 ( &
91721  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
91722  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
91723  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
91724  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
91725  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
91726  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
91727  r_pow_t, r_tmp, rr1_delta, rr2_delta
91728 
91729  REAL(kind=dp) :: c1, c2, c3
91730  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
91731  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
91732  & s_r_t2_9
91733  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
91734  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
91735  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
91736  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
91737  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
91738  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
91739  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
91740  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
91741  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
91742  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
91743  & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3
91744 
91745  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
91746 
91747  dr = lgth
91748  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
91749 
91750  s_r(:, :, :) = 0.0_dp
91751 
91752  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
91753 
91754  h_to_c_0_0 = sqrt(alpha/pi)
91755 
91756  h_to_c_0_1 = 0.0_dp
91757  h_to_c_1_1 = +2*alpha*h_to_c_0_0
91758  h_to_c_0_2 = -1*h_to_c_1_1
91759  h_to_c_1_2 = +2*alpha*h_to_c_0_1
91760  h_to_c_2_2 = +2*alpha*h_to_c_1_1
91761  h_to_c_0_3 = -1*h_to_c_1_2
91762  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
91763  h_to_c_2_3 = +2*alpha*h_to_c_1_2
91764  h_to_c_3_3 = +2*alpha*h_to_c_2_2
91765  h_to_c_0_4 = -1*h_to_c_1_3
91766  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
91767  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
91768  h_to_c_3_4 = +2*alpha*h_to_c_2_3
91769  h_to_c_4_4 = +2*alpha*h_to_c_3_3
91770  h_to_c_0_5 = -1*h_to_c_1_4
91771  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
91772  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
91773  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
91774  h_to_c_4_5 = +2*alpha*h_to_c_3_4
91775  h_to_c_5_5 = +2*alpha*h_to_c_4_4
91776  h_to_c_0_6 = -1*h_to_c_1_5
91777  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
91778  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
91779  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
91780  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
91781  h_to_c_5_6 = +2*alpha*h_to_c_4_5
91782  h_to_c_6_6 = +2*alpha*h_to_c_5_5
91783  h_to_c_0_7 = -1*h_to_c_1_6
91784  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
91785  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
91786  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
91787  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
91788  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
91789  h_to_c_6_7 = +2*alpha*h_to_c_5_6
91790  h_to_c_7_7 = +2*alpha*h_to_c_6_6
91791  h_to_c_0_8 = -1*h_to_c_1_7
91792  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
91793  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
91794  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
91795  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
91796  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
91797  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
91798  h_to_c_7_8 = +2*alpha*h_to_c_6_7
91799  h_to_c_8_8 = +2*alpha*h_to_c_7_7
91800  h_to_c_0_9 = -1*h_to_c_1_8
91801  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
91802  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
91803  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
91804  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
91805  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
91806  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
91807  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
91808  h_to_c_8_9 = +2*alpha*h_to_c_7_8
91809  h_to_c_9_9 = +2*alpha*h_to_c_8_8
91810 
91811  exp_drsq = exp(-alpha*dr*dr)
91812  exp_2drsq = exp_drsq*exp_drsq
91813 
91814  rr1_delta = (ra - rb)/dr
91815 
91816  rr1_l = ceiling(-r_c(1) + rr1_delta)
91817  rr1_r = floor(r_c(1) + rr1_delta)
91818 
91819  r1 = rr1_l*dr
91820 
91821  alpha_e = zeta*zetb/(zeta + zetb)
91822 
91823  DO rr1 = rr1_l, rr1_r
91824  s_r_t_0 = 0.0_dp
91825  s_r_t2_0 = 0.0_dp
91826  s_r_t_1 = 0.0_dp
91827  s_r_t2_1 = 0.0_dp
91828  s_r_t_2 = 0.0_dp
91829  s_r_t2_2 = 0.0_dp
91830  s_r_t_3 = 0.0_dp
91831  s_r_t2_3 = 0.0_dp
91832  s_r_t_4 = 0.0_dp
91833  s_r_t2_4 = 0.0_dp
91834  s_r_t_5 = 0.0_dp
91835  s_r_t2_5 = 0.0_dp
91836  s_r_t_6 = 0.0_dp
91837  s_r_t2_6 = 0.0_dp
91838  s_r_t_7 = 0.0_dp
91839  s_r_t2_7 = 0.0_dp
91840  s_r_t_8 = 0.0_dp
91841  s_r_t2_8 = 0.0_dp
91842  s_r_t_9 = 0.0_dp
91843  s_r_t2_9 = 0.0_dp
91844  r_tmp = r_offset + r1*zeta/(zeta + zetb)
91845  rr2_delta = -r_tmp/dr
91846 
91847  rr2_l = ceiling(-r_c(2) + rr2_delta)
91848  rr2_r = floor(r_c(2) + rr2_delta)
91849 
91850  r = r_tmp + (rr2_l)*dr
91851 
91852  exp2_2rdr = exp(-2*alpha*r*dr)
91853  exp2_rsq = exp(-alpha*r*r)
91854 
91855  DO rr2 = rr2_l, rr2_r
91856  r_pow_t = 1.0_dp
91857  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
91858  r_pow_t = r_pow_t*r
91859  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
91860  r_pow_t = r_pow_t*r
91861  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
91862  r_pow_t = r_pow_t*r
91863  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
91864  r_pow_t = r_pow_t*r
91865  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
91866  r_pow_t = r_pow_t*r
91867  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
91868  r_pow_t = r_pow_t*r
91869  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
91870  r_pow_t = r_pow_t*r
91871  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
91872  r_pow_t = r_pow_t*r
91873  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
91874  r_pow_t = r_pow_t*r
91875  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
91876 
91877  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
91878  exp2_2rdr = exp2_2rdr*exp_2drsq
91879  r = r + dr
91880  END DO
91881 
91882  ! C --> H
91883  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
91884  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
91885  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
91886  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
91887  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
91888  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
91889  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
91890  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
91891  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
91892  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
91893  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
91894  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
91895  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
91896  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
91897  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
91898  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
91899  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
91900  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
91901  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
91902  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
91903  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
91904  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
91905  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
91906  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
91907  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
91908  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
91909  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
91910  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
91911  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
91912  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
91913  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
91914  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
91915  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
91916  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
91917  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
91918  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
91919  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
91920  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
91921  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
91922  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
91923  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
91924  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
91925  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
91926  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
91927  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
91928  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
91929  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
91930  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
91931  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
91932  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
91933  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
91934  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
91935  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
91936  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
91937  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
91938 
91939  ! H --> HH
91940  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
91941 
91942  c1 = 1.0_dp/(zeta + zetb)
91943  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
91944  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
91945 
91946  e_0_1_0 = zeta*( &
91947  +c2*e_0_0_0&
91948 
91949  )
91950  e_0_0_1 = zetb*( &
91951  +c3*e_0_0_0&
91952 
91953  )
91954  e_1_1_0 = zeta*( c1*e_0_0_0 &
91955 
91956 
91957  )
91958  e_1_0_1 = zetb*( c1*e_0_0_0 &
91959 
91960 
91961  )
91962  e_0_2_0 = zeta*( &
91963  +c2*e_0_1_0&
91964  +2*e_1_1_0 &
91965  -2*e_0_0_0)
91966  e_0_1_1 = zetb*( &
91967  +c3*e_0_1_0&
91968  +2*e_1_1_0 &
91969  )
91970  e_1_2_0 = zeta*( c1*e_0_1_0 &
91971  +c2*e_1_1_0&
91972 
91973  )
91974  e_1_1_1 = zetb*( c1*e_0_1_0 &
91975  +c3*e_1_1_0&
91976 
91977  )
91978  e_2_2_0 = zeta*( c1*e_1_1_0 &
91979 
91980 
91981  )
91982  e_2_1_1 = zetb*( c1*e_1_1_0 &
91983 
91984 
91985  )
91986  e_0_3_0 = zeta*( &
91987  +c2*e_0_2_0&
91988  +2*e_1_2_0 &
91989  -4*e_0_1_0)
91990  e_0_2_1 = zetb*( &
91991  +c3*e_0_2_0&
91992  +2*e_1_2_0 &
91993  )
91994  e_1_3_0 = zeta*( c1*e_0_2_0 &
91995  +c2*e_1_2_0&
91996  +4*e_2_2_0 &
91997  -4*e_1_1_0)
91998  e_1_2_1 = zetb*( c1*e_0_2_0 &
91999  +c3*e_1_2_0&
92000  +4*e_2_2_0 &
92001  )
92002  e_2_3_0 = zeta*( c1*e_1_2_0 &
92003  +c2*e_2_2_0&
92004 
92005  )
92006  e_2_2_1 = zetb*( c1*e_1_2_0 &
92007  +c3*e_2_2_0&
92008 
92009  )
92010  e_3_3_0 = zeta*( c1*e_2_2_0 &
92011 
92012 
92013  )
92014  e_3_2_1 = zetb*( c1*e_2_2_0 &
92015 
92016 
92017  )
92018  e_0_3_1 = zetb*( &
92019  +c3*e_0_3_0&
92020  +2*e_1_3_0 &
92021  )
92022  e_1_3_1 = zetb*( c1*e_0_3_0 &
92023  +c3*e_1_3_0&
92024  +4*e_2_3_0 &
92025  )
92026  e_2_3_1 = zetb*( c1*e_1_3_0 &
92027  +c3*e_2_3_0&
92028  +6*e_3_3_0 &
92029  )
92030  e_3_3_1 = zetb*( c1*e_2_3_0 &
92031  +c3*e_3_3_0&
92032 
92033  )
92034  e_4_3_1 = zetb*( c1*e_3_3_0 &
92035 
92036 
92037  )
92038  e_0_1_1 = zeta*( &
92039  +c2*e_0_0_1&
92040  +2*e_1_0_1 &
92041  )
92042  e_0_0_2 = zetb*( &
92043  +c3*e_0_0_1&
92044  +2*e_1_0_1 &
92045  -2*e_0_0_0)
92046  e_1_1_1 = zeta*( c1*e_0_0_1 &
92047  +c2*e_1_0_1&
92048 
92049  )
92050  e_1_0_2 = zetb*( c1*e_0_0_1 &
92051  +c3*e_1_0_1&
92052 
92053  )
92054  e_2_1_1 = zeta*( c1*e_1_0_1 &
92055 
92056 
92057  )
92058  e_2_0_2 = zetb*( c1*e_1_0_1 &
92059 
92060 
92061  )
92062  e_0_2_1 = zeta*( &
92063  +c2*e_0_1_1&
92064  +2*e_1_1_1 &
92065  -2*e_0_0_1)
92066  e_0_1_2 = zetb*( &
92067  +c3*e_0_1_1&
92068  +2*e_1_1_1 &
92069  -2*e_0_1_0)
92070  e_1_2_1 = zeta*( c1*e_0_1_1 &
92071  +c2*e_1_1_1&
92072  +4*e_2_1_1 &
92073  -2*e_1_0_1)
92074  e_1_1_2 = zetb*( c1*e_0_1_1 &
92075  +c3*e_1_1_1&
92076  +4*e_2_1_1 &
92077  -2*e_1_1_0)
92078  e_2_2_1 = zeta*( c1*e_1_1_1 &
92079  +c2*e_2_1_1&
92080 
92081  )
92082  e_2_1_2 = zetb*( c1*e_1_1_1 &
92083  +c3*e_2_1_1&
92084 
92085  )
92086  e_3_2_1 = zeta*( c1*e_2_1_1 &
92087 
92088 
92089  )
92090  e_3_1_2 = zetb*( c1*e_2_1_1 &
92091 
92092 
92093  )
92094  e_0_3_1 = zeta*( &
92095  +c2*e_0_2_1&
92096  +2*e_1_2_1 &
92097  -4*e_0_1_1)
92098  e_0_2_2 = zetb*( &
92099  +c3*e_0_2_1&
92100  +2*e_1_2_1 &
92101  -2*e_0_2_0)
92102  e_1_3_1 = zeta*( c1*e_0_2_1 &
92103  +c2*e_1_2_1&
92104  +4*e_2_2_1 &
92105  -4*e_1_1_1)
92106  e_1_2_2 = zetb*( c1*e_0_2_1 &
92107  +c3*e_1_2_1&
92108  +4*e_2_2_1 &
92109  -2*e_1_2_0)
92110  e_2_3_1 = zeta*( c1*e_1_2_1 &
92111  +c2*e_2_2_1&
92112  +6*e_3_2_1 &
92113  -4*e_2_1_1)
92114  e_2_2_2 = zetb*( c1*e_1_2_1 &
92115  +c3*e_2_2_1&
92116  +6*e_3_2_1 &
92117  -2*e_2_2_0)
92118  e_3_3_1 = zeta*( c1*e_2_2_1 &
92119  +c2*e_3_2_1&
92120 
92121  )
92122  e_3_2_2 = zetb*( c1*e_2_2_1 &
92123  +c3*e_3_2_1&
92124 
92125  )
92126  e_4_3_1 = zeta*( c1*e_3_2_1 &
92127 
92128 
92129  )
92130  e_4_2_2 = zetb*( c1*e_3_2_1 &
92131 
92132 
92133  )
92134  e_0_3_2 = zetb*( &
92135  +c3*e_0_3_1&
92136  +2*e_1_3_1 &
92137  -2*e_0_3_0)
92138  e_1_3_2 = zetb*( c1*e_0_3_1 &
92139  +c3*e_1_3_1&
92140  +4*e_2_3_1 &
92141  -2*e_1_3_0)
92142  e_2_3_2 = zetb*( c1*e_1_3_1 &
92143  +c3*e_2_3_1&
92144  +6*e_3_3_1 &
92145  -2*e_2_3_0)
92146  e_3_3_2 = zetb*( c1*e_2_3_1 &
92147  +c3*e_3_3_1&
92148  +8*e_4_3_1 &
92149  -2*e_3_3_0)
92150  e_4_3_2 = zetb*( c1*e_3_3_1 &
92151  +c3*e_4_3_1&
92152 
92153  )
92154  e_5_3_2 = zetb*( c1*e_4_3_1 &
92155 
92156 
92157  )
92158  e_0_1_2 = zeta*( &
92159  +c2*e_0_0_2&
92160  +2*e_1_0_2 &
92161  )
92162  e_0_0_3 = zetb*( &
92163  +c3*e_0_0_2&
92164  +2*e_1_0_2 &
92165  -4*e_0_0_1)
92166  e_1_1_2 = zeta*( c1*e_0_0_2 &
92167  +c2*e_1_0_2&
92168  +4*e_2_0_2 &
92169  )
92170  e_1_0_3 = zetb*( c1*e_0_0_2 &
92171  +c3*e_1_0_2&
92172  +4*e_2_0_2 &
92173  -4*e_1_0_1)
92174  e_2_1_2 = zeta*( c1*e_1_0_2 &
92175  +c2*e_2_0_2&
92176 
92177  )
92178  e_2_0_3 = zetb*( c1*e_1_0_2 &
92179  +c3*e_2_0_2&
92180 
92181  )
92182  e_3_1_2 = zeta*( c1*e_2_0_2 &
92183 
92184 
92185  )
92186  e_3_0_3 = zetb*( c1*e_2_0_2 &
92187 
92188 
92189  )
92190  e_0_2_2 = zeta*( &
92191  +c2*e_0_1_2&
92192  +2*e_1_1_2 &
92193  -2*e_0_0_2)
92194  e_0_1_3 = zetb*( &
92195  +c3*e_0_1_2&
92196  +2*e_1_1_2 &
92197  -4*e_0_1_1)
92198  e_1_2_2 = zeta*( c1*e_0_1_2 &
92199  +c2*e_1_1_2&
92200  +4*e_2_1_2 &
92201  -2*e_1_0_2)
92202  e_1_1_3 = zetb*( c1*e_0_1_2 &
92203  +c3*e_1_1_2&
92204  +4*e_2_1_2 &
92205  -4*e_1_1_1)
92206  e_2_2_2 = zeta*( c1*e_1_1_2 &
92207  +c2*e_2_1_2&
92208  +6*e_3_1_2 &
92209  -2*e_2_0_2)
92210  e_2_1_3 = zetb*( c1*e_1_1_2 &
92211  +c3*e_2_1_2&
92212  +6*e_3_1_2 &
92213  -4*e_2_1_1)
92214  e_3_2_2 = zeta*( c1*e_2_1_2 &
92215  +c2*e_3_1_2&
92216 
92217  )
92218  e_3_1_3 = zetb*( c1*e_2_1_2 &
92219  +c3*e_3_1_2&
92220 
92221  )
92222  e_4_2_2 = zeta*( c1*e_3_1_2 &
92223 
92224 
92225  )
92226  e_4_1_3 = zetb*( c1*e_3_1_2 &
92227 
92228 
92229  )
92230  e_0_3_2 = zeta*( &
92231  +c2*e_0_2_2&
92232  +2*e_1_2_2 &
92233  -4*e_0_1_2)
92234  e_0_2_3 = zetb*( &
92235  +c3*e_0_2_2&
92236  +2*e_1_2_2 &
92237  -4*e_0_2_1)
92238  e_1_3_2 = zeta*( c1*e_0_2_2 &
92239  +c2*e_1_2_2&
92240  +4*e_2_2_2 &
92241  -4*e_1_1_2)
92242  e_1_2_3 = zetb*( c1*e_0_2_2 &
92243  +c3*e_1_2_2&
92244  +4*e_2_2_2 &
92245  -4*e_1_2_1)
92246  e_2_3_2 = zeta*( c1*e_1_2_2 &
92247  +c2*e_2_2_2&
92248  +6*e_3_2_2 &
92249  -4*e_2_1_2)
92250  e_2_2_3 = zetb*( c1*e_1_2_2 &
92251  +c3*e_2_2_2&
92252  +6*e_3_2_2 &
92253  -4*e_2_2_1)
92254  e_3_3_2 = zeta*( c1*e_2_2_2 &
92255  +c2*e_3_2_2&
92256  +8*e_4_2_2 &
92257  -4*e_3_1_2)
92258  e_3_2_3 = zetb*( c1*e_2_2_2 &
92259  +c3*e_3_2_2&
92260  +8*e_4_2_2 &
92261  -4*e_3_2_1)
92262  e_4_3_2 = zeta*( c1*e_3_2_2 &
92263  +c2*e_4_2_2&
92264 
92265  )
92266  e_4_2_3 = zetb*( c1*e_3_2_2 &
92267  +c3*e_4_2_2&
92268 
92269  )
92270  e_5_3_2 = zeta*( c1*e_4_2_2 &
92271 
92272 
92273  )
92274  e_5_2_3 = zetb*( c1*e_4_2_2 &
92275 
92276 
92277  )
92278  e_0_3_3 = zetb*( &
92279  +c3*e_0_3_2&
92280  +2*e_1_3_2 &
92281  -4*e_0_3_1)
92282  e_1_3_3 = zetb*( c1*e_0_3_2 &
92283  +c3*e_1_3_2&
92284  +4*e_2_3_2 &
92285  -4*e_1_3_1)
92286  e_2_3_3 = zetb*( c1*e_1_3_2 &
92287  +c3*e_2_3_2&
92288  +6*e_3_3_2 &
92289  -4*e_2_3_1)
92290  e_3_3_3 = zetb*( c1*e_2_3_2 &
92291  +c3*e_3_3_2&
92292  +8*e_4_3_2 &
92293  -4*e_3_3_1)
92294  e_4_3_3 = zetb*( c1*e_3_3_2 &
92295  +c3*e_4_3_2&
92296  +10*e_5_3_2 &
92297  -4*e_4_3_1)
92298  e_5_3_3 = zetb*( c1*e_4_3_2 &
92299  +c3*e_5_3_2&
92300 
92301  )
92302  e_6_3_3 = zetb*( c1*e_5_3_2 &
92303 
92304 
92305  )
92306  e_0_1_3 = zeta*( &
92307  +c2*e_0_0_3&
92308  +2*e_1_0_3 &
92309  )
92310  e_1_1_3 = zeta*( c1*e_0_0_3 &
92311  +c2*e_1_0_3&
92312  +4*e_2_0_3 &
92313  )
92314  e_2_1_3 = zeta*( c1*e_1_0_3 &
92315  +c2*e_2_0_3&
92316  +6*e_3_0_3 &
92317  )
92318  e_3_1_3 = zeta*( c1*e_2_0_3 &
92319  +c2*e_3_0_3&
92320 
92321  )
92322  e_4_1_3 = zeta*( c1*e_3_0_3 &
92323 
92324 
92325  )
92326  e_0_2_3 = zeta*( &
92327  +c2*e_0_1_3&
92328  +2*e_1_1_3 &
92329  -2*e_0_0_3)
92330  e_1_2_3 = zeta*( c1*e_0_1_3 &
92331  +c2*e_1_1_3&
92332  +4*e_2_1_3 &
92333  -2*e_1_0_3)
92334  e_2_2_3 = zeta*( c1*e_1_1_3 &
92335  +c2*e_2_1_3&
92336  +6*e_3_1_3 &
92337  -2*e_2_0_3)
92338  e_3_2_3 = zeta*( c1*e_2_1_3 &
92339  +c2*e_3_1_3&
92340  +8*e_4_1_3 &
92341  -2*e_3_0_3)
92342  e_4_2_3 = zeta*( c1*e_3_1_3 &
92343  +c2*e_4_1_3&
92344 
92345  )
92346  e_5_2_3 = zeta*( c1*e_4_1_3 &
92347 
92348 
92349  )
92350  e_0_3_3 = zeta*( &
92351  +c2*e_0_2_3&
92352  +2*e_1_2_3 &
92353  -4*e_0_1_3)
92354  e_1_3_3 = zeta*( c1*e_0_2_3 &
92355  +c2*e_1_2_3&
92356  +4*e_2_2_3 &
92357  -4*e_1_1_3)
92358  e_2_3_3 = zeta*( c1*e_1_2_3 &
92359  +c2*e_2_2_3&
92360  +6*e_3_2_3 &
92361  -4*e_2_1_3)
92362  e_3_3_3 = zeta*( c1*e_2_2_3 &
92363  +c2*e_3_2_3&
92364  +8*e_4_2_3 &
92365  -4*e_3_1_3)
92366  e_4_3_3 = zeta*( c1*e_3_2_3 &
92367  +c2*e_4_2_3&
92368  +10*e_5_2_3 &
92369  -4*e_4_1_3)
92370  e_5_3_3 = zeta*( c1*e_4_2_3 &
92371  +c2*e_5_2_3&
92372 
92373  )
92374  e_6_3_3 = zeta*( c1*e_5_2_3 &
92375 
92376 
92377  )
92378 
92379  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
92380  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
92381  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
92382  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
92383  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
92384  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
92385  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
92386  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
92387  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
92388  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
92389  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
92390  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
92391  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
92392  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
92393  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
92394  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
92395  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
92396  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
92397  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
92398  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
92399  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
92400  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
92401  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
92402  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
92403  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
92404  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
92405  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
92406  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
92407  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
92408  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
92409  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
92410  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
92411  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
92412  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
92413  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
92414  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
92415  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
92416  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
92417  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
92418  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
92419  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
92420  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
92421  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
92422  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
92423  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
92424  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
92425  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
92426  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
92427  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
92428  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
92429  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
92430  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
92431  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
92432  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
92433  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
92434  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
92435  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
92436  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
92437  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
92438  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
92439  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
92440  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
92441  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
92442  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
92443  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
92444  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
92445  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
92446  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
92447  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
92448  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
92449  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
92450  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
92451  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
92452  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
92453  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
92454  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
92455  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
92456  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
92457  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
92458  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
92459  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
92460  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
92461  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
92462  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
92463  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
92464  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
92465  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
92466  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
92467  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
92468  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
92469  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
92470  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
92471  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
92472  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
92473  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
92474  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
92475  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
92476  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
92477  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
92478  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
92479  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
92480  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
92481  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
92482  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
92483  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
92484  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
92485  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
92486  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
92487  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
92488  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
92489  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
92490  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
92491  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
92492  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
92493  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
92494  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
92495  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
92496  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
92497  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
92498  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
92499  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
92500  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
92501  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
92502  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
92503  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
92504  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
92505  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
92506  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
92507  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
92508  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
92509  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
92510  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
92511  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
92512  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
92513  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
92514  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
92515  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
92516  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
92517  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
92518  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
92519  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
92520  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
92521  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
92522  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
92523  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
92524  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
92525  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
92526  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
92527  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
92528  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
92529  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
92530  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
92531  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
92532  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
92533  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
92534  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
92535  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
92536  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
92537  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
92538  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
92539  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
92540  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
92541  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
92542  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
92543  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
92544  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
92545  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
92546  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
92547  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
92548  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
92549  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
92550  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
92551  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
92552  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
92553  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
92554  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
92555  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
92556  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
92557  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
92558  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
92559  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
92560  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
92561  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
92562  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
92563  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
92564  s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
92565  s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
92566  s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
92567  s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
92568  s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
92569  s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
92570  s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
92571  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
92572  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
92573  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
92574  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
92575  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
92576  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
92577  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
92578  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
92579  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
92580  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
92581  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
92582  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
92583  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
92584  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
92585  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
92586  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
92587  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
92588  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
92589  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
92590  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
92591  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
92592  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
92593  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
92594  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
92595  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
92596  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
92597  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
92598  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
92599  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
92600  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
92601  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
92602  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
92603  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
92604  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
92605  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
92606  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
92607  s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
92608  s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
92609  s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
92610  s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
92611  s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
92612  s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
92613  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
92614  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
92615  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
92616  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
92617  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
92618  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
92619  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
92620  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
92621  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
92622  s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
92623  s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
92624  s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
92625  s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
92626  s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
92627  s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
92628  s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
92629  s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
92630  s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
92631  s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
92632  s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
92633  s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
92634  s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
92635  r1 = r1 + dr
92636  END DO
92637 
92638  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
92639  END SUBROUTINE
92640  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_3_4_exp_1 ( &
92641  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
92642  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
92643  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
92644  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
92645  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
92646  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
92647  r_pow_t, r_tmp, rr1_delta, rr2_delta
92648 
92649  REAL(kind=dp) :: c1, c2, c3
92650  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
92651  & s_r_t_10
92652  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
92653  & s_r_t2_9, s_r_t2_10
92654  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
92655  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
92656  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
92657  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
92658  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
92659  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
92660  & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10
92661  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
92662  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
92663  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
92664  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
92665  & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3
92666 
92667  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
92668 
92669  dr = lgth
92670  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
92671 
92672  s_r(:, :, :) = 0.0_dp
92673 
92674  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
92675 
92676  h_to_c_0_0 = sqrt(alpha/pi)
92677 
92678  h_to_c_0_1 = 0.0_dp
92679  h_to_c_1_1 = +2*alpha*h_to_c_0_0
92680  h_to_c_0_2 = -1*h_to_c_1_1
92681  h_to_c_1_2 = +2*alpha*h_to_c_0_1
92682  h_to_c_2_2 = +2*alpha*h_to_c_1_1
92683  h_to_c_0_3 = -1*h_to_c_1_2
92684  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
92685  h_to_c_2_3 = +2*alpha*h_to_c_1_2
92686  h_to_c_3_3 = +2*alpha*h_to_c_2_2
92687  h_to_c_0_4 = -1*h_to_c_1_3
92688  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
92689  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
92690  h_to_c_3_4 = +2*alpha*h_to_c_2_3
92691  h_to_c_4_4 = +2*alpha*h_to_c_3_3
92692  h_to_c_0_5 = -1*h_to_c_1_4
92693  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
92694  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
92695  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
92696  h_to_c_4_5 = +2*alpha*h_to_c_3_4
92697  h_to_c_5_5 = +2*alpha*h_to_c_4_4
92698  h_to_c_0_6 = -1*h_to_c_1_5
92699  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
92700  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
92701  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
92702  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
92703  h_to_c_5_6 = +2*alpha*h_to_c_4_5
92704  h_to_c_6_6 = +2*alpha*h_to_c_5_5
92705  h_to_c_0_7 = -1*h_to_c_1_6
92706  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
92707  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
92708  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
92709  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
92710  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
92711  h_to_c_6_7 = +2*alpha*h_to_c_5_6
92712  h_to_c_7_7 = +2*alpha*h_to_c_6_6
92713  h_to_c_0_8 = -1*h_to_c_1_7
92714  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
92715  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
92716  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
92717  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
92718  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
92719  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
92720  h_to_c_7_8 = +2*alpha*h_to_c_6_7
92721  h_to_c_8_8 = +2*alpha*h_to_c_7_7
92722  h_to_c_0_9 = -1*h_to_c_1_8
92723  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
92724  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
92725  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
92726  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
92727  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
92728  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
92729  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
92730  h_to_c_8_9 = +2*alpha*h_to_c_7_8
92731  h_to_c_9_9 = +2*alpha*h_to_c_8_8
92732  h_to_c_0_10 = -1*h_to_c_1_9
92733  h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
92734  h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
92735  h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
92736  h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
92737  h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
92738  h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
92739  h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
92740  h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
92741  h_to_c_9_10 = +2*alpha*h_to_c_8_9
92742  h_to_c_10_10 = +2*alpha*h_to_c_9_9
92743 
92744  exp_drsq = exp(-alpha*dr*dr)
92745  exp_2drsq = exp_drsq*exp_drsq
92746 
92747  rr1_delta = (ra - rb)/dr
92748 
92749  rr1_l = ceiling(-r_c(1) + rr1_delta)
92750  rr1_r = floor(r_c(1) + rr1_delta)
92751 
92752  r1 = rr1_l*dr
92753 
92754  alpha_e = zeta*zetb/(zeta + zetb)
92755 
92756  DO rr1 = rr1_l, rr1_r
92757  s_r_t_0 = 0.0_dp
92758  s_r_t2_0 = 0.0_dp
92759  s_r_t_1 = 0.0_dp
92760  s_r_t2_1 = 0.0_dp
92761  s_r_t_2 = 0.0_dp
92762  s_r_t2_2 = 0.0_dp
92763  s_r_t_3 = 0.0_dp
92764  s_r_t2_3 = 0.0_dp
92765  s_r_t_4 = 0.0_dp
92766  s_r_t2_4 = 0.0_dp
92767  s_r_t_5 = 0.0_dp
92768  s_r_t2_5 = 0.0_dp
92769  s_r_t_6 = 0.0_dp
92770  s_r_t2_6 = 0.0_dp
92771  s_r_t_7 = 0.0_dp
92772  s_r_t2_7 = 0.0_dp
92773  s_r_t_8 = 0.0_dp
92774  s_r_t2_8 = 0.0_dp
92775  s_r_t_9 = 0.0_dp
92776  s_r_t2_9 = 0.0_dp
92777  s_r_t_10 = 0.0_dp
92778  s_r_t2_10 = 0.0_dp
92779  r_tmp = r_offset + r1*zeta/(zeta + zetb)
92780  rr2_delta = -r_tmp/dr
92781 
92782  rr2_l = ceiling(-r_c(2) + rr2_delta)
92783  rr2_r = floor(r_c(2) + rr2_delta)
92784 
92785  r = r_tmp + (rr2_l)*dr
92786 
92787  exp2_2rdr = exp(-2*alpha*r*dr)
92788  exp2_rsq = exp(-alpha*r*r)
92789 
92790  DO rr2 = rr2_l, rr2_r
92791  r_pow_t = 1.0_dp
92792  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
92793  r_pow_t = r_pow_t*r
92794  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
92795  r_pow_t = r_pow_t*r
92796  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
92797  r_pow_t = r_pow_t*r
92798  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
92799  r_pow_t = r_pow_t*r
92800  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
92801  r_pow_t = r_pow_t*r
92802  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
92803  r_pow_t = r_pow_t*r
92804  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
92805  r_pow_t = r_pow_t*r
92806  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
92807  r_pow_t = r_pow_t*r
92808  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
92809  r_pow_t = r_pow_t*r
92810  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
92811  r_pow_t = r_pow_t*r
92812  s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
92813 
92814  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
92815  exp2_2rdr = exp2_2rdr*exp_2drsq
92816  r = r + dr
92817  END DO
92818 
92819  ! C --> H
92820  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
92821  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
92822  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
92823  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
92824  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
92825  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
92826  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
92827  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
92828  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
92829  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
92830  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
92831  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
92832  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
92833  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
92834  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
92835  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
92836  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
92837  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
92838  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
92839  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
92840  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
92841  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
92842  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
92843  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
92844  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
92845  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
92846  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
92847  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
92848  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
92849  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
92850  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
92851  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
92852  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
92853  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
92854  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
92855  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
92856  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
92857  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
92858  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
92859  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
92860  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
92861  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
92862  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
92863  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
92864  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
92865  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
92866  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
92867  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
92868  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
92869  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
92870  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
92871  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
92872  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
92873  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
92874  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
92875  s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
92876  s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
92877  s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
92878  s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
92879  s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
92880  s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
92881  s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
92882  s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
92883  s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
92884  s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
92885  s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
92886 
92887  ! H --> HH
92888  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
92889 
92890  c1 = 1.0_dp/(zeta + zetb)
92891  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
92892  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
92893 
92894  e_0_1_0 = zeta*( &
92895  +c2*e_0_0_0&
92896 
92897  )
92898  e_0_0_1 = zetb*( &
92899  +c3*e_0_0_0&
92900 
92901  )
92902  e_1_1_0 = zeta*( c1*e_0_0_0 &
92903 
92904 
92905  )
92906  e_1_0_1 = zetb*( c1*e_0_0_0 &
92907 
92908 
92909  )
92910  e_0_2_0 = zeta*( &
92911  +c2*e_0_1_0&
92912  +2*e_1_1_0 &
92913  -2*e_0_0_0)
92914  e_0_1_1 = zetb*( &
92915  +c3*e_0_1_0&
92916  +2*e_1_1_0 &
92917  )
92918  e_1_2_0 = zeta*( c1*e_0_1_0 &
92919  +c2*e_1_1_0&
92920 
92921  )
92922  e_1_1_1 = zetb*( c1*e_0_1_0 &
92923  +c3*e_1_1_0&
92924 
92925  )
92926  e_2_2_0 = zeta*( c1*e_1_1_0 &
92927 
92928 
92929  )
92930  e_2_1_1 = zetb*( c1*e_1_1_0 &
92931 
92932 
92933  )
92934  e_0_3_0 = zeta*( &
92935  +c2*e_0_2_0&
92936  +2*e_1_2_0 &
92937  -4*e_0_1_0)
92938  e_0_2_1 = zetb*( &
92939  +c3*e_0_2_0&
92940  +2*e_1_2_0 &
92941  )
92942  e_1_3_0 = zeta*( c1*e_0_2_0 &
92943  +c2*e_1_2_0&
92944  +4*e_2_2_0 &
92945  -4*e_1_1_0)
92946  e_1_2_1 = zetb*( c1*e_0_2_0 &
92947  +c3*e_1_2_0&
92948  +4*e_2_2_0 &
92949  )
92950  e_2_3_0 = zeta*( c1*e_1_2_0 &
92951  +c2*e_2_2_0&
92952 
92953  )
92954  e_2_2_1 = zetb*( c1*e_1_2_0 &
92955  +c3*e_2_2_0&
92956 
92957  )
92958  e_3_3_0 = zeta*( c1*e_2_2_0 &
92959 
92960 
92961  )
92962  e_3_2_1 = zetb*( c1*e_2_2_0 &
92963 
92964 
92965  )
92966  e_0_3_1 = zetb*( &
92967  +c3*e_0_3_0&
92968  +2*e_1_3_0 &
92969  )
92970  e_1_3_1 = zetb*( c1*e_0_3_0 &
92971  +c3*e_1_3_0&
92972  +4*e_2_3_0 &
92973  )
92974  e_2_3_1 = zetb*( c1*e_1_3_0 &
92975  +c3*e_2_3_0&
92976  +6*e_3_3_0 &
92977  )
92978  e_3_3_1 = zetb*( c1*e_2_3_0 &
92979  +c3*e_3_3_0&
92980 
92981  )
92982  e_4_3_1 = zetb*( c1*e_3_3_0 &
92983 
92984 
92985  )
92986  e_0_1_1 = zeta*( &
92987  +c2*e_0_0_1&
92988  +2*e_1_0_1 &
92989  )
92990  e_0_0_2 = zetb*( &
92991  +c3*e_0_0_1&
92992  +2*e_1_0_1 &
92993  -2*e_0_0_0)
92994  e_1_1_1 = zeta*( c1*e_0_0_1 &
92995  +c2*e_1_0_1&
92996 
92997  )
92998  e_1_0_2 = zetb*( c1*e_0_0_1 &
92999  +c3*e_1_0_1&
93000 
93001  )
93002  e_2_1_1 = zeta*( c1*e_1_0_1 &
93003 
93004 
93005  )
93006  e_2_0_2 = zetb*( c1*e_1_0_1 &
93007 
93008 
93009  )
93010  e_0_2_1 = zeta*( &
93011  +c2*e_0_1_1&
93012  +2*e_1_1_1 &
93013  -2*e_0_0_1)
93014  e_0_1_2 = zetb*( &
93015  +c3*e_0_1_1&
93016  +2*e_1_1_1 &
93017  -2*e_0_1_0)
93018  e_1_2_1 = zeta*( c1*e_0_1_1 &
93019  +c2*e_1_1_1&
93020  +4*e_2_1_1 &
93021  -2*e_1_0_1)
93022  e_1_1_2 = zetb*( c1*e_0_1_1 &
93023  +c3*e_1_1_1&
93024  +4*e_2_1_1 &
93025  -2*e_1_1_0)
93026  e_2_2_1 = zeta*( c1*e_1_1_1 &
93027  +c2*e_2_1_1&
93028 
93029  )
93030  e_2_1_2 = zetb*( c1*e_1_1_1 &
93031  +c3*e_2_1_1&
93032 
93033  )
93034  e_3_2_1 = zeta*( c1*e_2_1_1 &
93035 
93036 
93037  )
93038  e_3_1_2 = zetb*( c1*e_2_1_1 &
93039 
93040 
93041  )
93042  e_0_3_1 = zeta*( &
93043  +c2*e_0_2_1&
93044  +2*e_1_2_1 &
93045  -4*e_0_1_1)
93046  e_0_2_2 = zetb*( &
93047  +c3*e_0_2_1&
93048  +2*e_1_2_1 &
93049  -2*e_0_2_0)
93050  e_1_3_1 = zeta*( c1*e_0_2_1 &
93051  +c2*e_1_2_1&
93052  +4*e_2_2_1 &
93053  -4*e_1_1_1)
93054  e_1_2_2 = zetb*( c1*e_0_2_1 &
93055  +c3*e_1_2_1&
93056  +4*e_2_2_1 &
93057  -2*e_1_2_0)
93058  e_2_3_1 = zeta*( c1*e_1_2_1 &
93059  +c2*e_2_2_1&
93060  +6*e_3_2_1 &
93061  -4*e_2_1_1)
93062  e_2_2_2 = zetb*( c1*e_1_2_1 &
93063  +c3*e_2_2_1&
93064  +6*e_3_2_1 &
93065  -2*e_2_2_0)
93066  e_3_3_1 = zeta*( c1*e_2_2_1 &
93067  +c2*e_3_2_1&
93068 
93069  )
93070  e_3_2_2 = zetb*( c1*e_2_2_1 &
93071  +c3*e_3_2_1&
93072 
93073  )
93074  e_4_3_1 = zeta*( c1*e_3_2_1 &
93075 
93076 
93077  )
93078  e_4_2_2 = zetb*( c1*e_3_2_1 &
93079 
93080 
93081  )
93082  e_0_3_2 = zetb*( &
93083  +c3*e_0_3_1&
93084  +2*e_1_3_1 &
93085  -2*e_0_3_0)
93086  e_1_3_2 = zetb*( c1*e_0_3_1 &
93087  +c3*e_1_3_1&
93088  +4*e_2_3_1 &
93089  -2*e_1_3_0)
93090  e_2_3_2 = zetb*( c1*e_1_3_1 &
93091  +c3*e_2_3_1&
93092  +6*e_3_3_1 &
93093  -2*e_2_3_0)
93094  e_3_3_2 = zetb*( c1*e_2_3_1 &
93095  +c3*e_3_3_1&
93096  +8*e_4_3_1 &
93097  -2*e_3_3_0)
93098  e_4_3_2 = zetb*( c1*e_3_3_1 &
93099  +c3*e_4_3_1&
93100 
93101  )
93102  e_5_3_2 = zetb*( c1*e_4_3_1 &
93103 
93104 
93105  )
93106  e_0_1_2 = zeta*( &
93107  +c2*e_0_0_2&
93108  +2*e_1_0_2 &
93109  )
93110  e_0_0_3 = zetb*( &
93111  +c3*e_0_0_2&
93112  +2*e_1_0_2 &
93113  -4*e_0_0_1)
93114  e_1_1_2 = zeta*( c1*e_0_0_2 &
93115  +c2*e_1_0_2&
93116  +4*e_2_0_2 &
93117  )
93118  e_1_0_3 = zetb*( c1*e_0_0_2 &
93119  +c3*e_1_0_2&
93120  +4*e_2_0_2 &
93121  -4*e_1_0_1)
93122  e_2_1_2 = zeta*( c1*e_1_0_2 &
93123  +c2*e_2_0_2&
93124 
93125  )
93126  e_2_0_3 = zetb*( c1*e_1_0_2 &
93127  +c3*e_2_0_2&
93128 
93129  )
93130  e_3_1_2 = zeta*( c1*e_2_0_2 &
93131 
93132 
93133  )
93134  e_3_0_3 = zetb*( c1*e_2_0_2 &
93135 
93136 
93137  )
93138  e_0_2_2 = zeta*( &
93139  +c2*e_0_1_2&
93140  +2*e_1_1_2 &
93141  -2*e_0_0_2)
93142  e_0_1_3 = zetb*( &
93143  +c3*e_0_1_2&
93144  +2*e_1_1_2 &
93145  -4*e_0_1_1)
93146  e_1_2_2 = zeta*( c1*e_0_1_2 &
93147  +c2*e_1_1_2&
93148  +4*e_2_1_2 &
93149  -2*e_1_0_2)
93150  e_1_1_3 = zetb*( c1*e_0_1_2 &
93151  +c3*e_1_1_2&
93152  +4*e_2_1_2 &
93153  -4*e_1_1_1)
93154  e_2_2_2 = zeta*( c1*e_1_1_2 &
93155  +c2*e_2_1_2&
93156  +6*e_3_1_2 &
93157  -2*e_2_0_2)
93158  e_2_1_3 = zetb*( c1*e_1_1_2 &
93159  +c3*e_2_1_2&
93160  +6*e_3_1_2 &
93161  -4*e_2_1_1)
93162  e_3_2_2 = zeta*( c1*e_2_1_2 &
93163  +c2*e_3_1_2&
93164 
93165  )
93166  e_3_1_3 = zetb*( c1*e_2_1_2 &
93167  +c3*e_3_1_2&
93168 
93169  )
93170  e_4_2_2 = zeta*( c1*e_3_1_2 &
93171 
93172 
93173  )
93174  e_4_1_3 = zetb*( c1*e_3_1_2 &
93175 
93176 
93177  )
93178  e_0_3_2 = zeta*( &
93179  +c2*e_0_2_2&
93180  +2*e_1_2_2 &
93181  -4*e_0_1_2)
93182  e_0_2_3 = zetb*( &
93183  +c3*e_0_2_2&
93184  +2*e_1_2_2 &
93185  -4*e_0_2_1)
93186  e_1_3_2 = zeta*( c1*e_0_2_2 &
93187  +c2*e_1_2_2&
93188  +4*e_2_2_2 &
93189  -4*e_1_1_2)
93190  e_1_2_3 = zetb*( c1*e_0_2_2 &
93191  +c3*e_1_2_2&
93192  +4*e_2_2_2 &
93193  -4*e_1_2_1)
93194  e_2_3_2 = zeta*( c1*e_1_2_2 &
93195  +c2*e_2_2_2&
93196  +6*e_3_2_2 &
93197  -4*e_2_1_2)
93198  e_2_2_3 = zetb*( c1*e_1_2_2 &
93199  +c3*e_2_2_2&
93200  +6*e_3_2_2 &
93201  -4*e_2_2_1)
93202  e_3_3_2 = zeta*( c1*e_2_2_2 &
93203  +c2*e_3_2_2&
93204  +8*e_4_2_2 &
93205  -4*e_3_1_2)
93206  e_3_2_3 = zetb*( c1*e_2_2_2 &
93207  +c3*e_3_2_2&
93208  +8*e_4_2_2 &
93209  -4*e_3_2_1)
93210  e_4_3_2 = zeta*( c1*e_3_2_2 &
93211  +c2*e_4_2_2&
93212 
93213  )
93214  e_4_2_3 = zetb*( c1*e_3_2_2 &
93215  +c3*e_4_2_2&
93216 
93217  )
93218  e_5_3_2 = zeta*( c1*e_4_2_2 &
93219 
93220 
93221  )
93222  e_5_2_3 = zetb*( c1*e_4_2_2 &
93223 
93224 
93225  )
93226  e_0_3_3 = zetb*( &
93227  +c3*e_0_3_2&
93228  +2*e_1_3_2 &
93229  -4*e_0_3_1)
93230  e_1_3_3 = zetb*( c1*e_0_3_2 &
93231  +c3*e_1_3_2&
93232  +4*e_2_3_2 &
93233  -4*e_1_3_1)
93234  e_2_3_3 = zetb*( c1*e_1_3_2 &
93235  +c3*e_2_3_2&
93236  +6*e_3_3_2 &
93237  -4*e_2_3_1)
93238  e_3_3_3 = zetb*( c1*e_2_3_2 &
93239  +c3*e_3_3_2&
93240  +8*e_4_3_2 &
93241  -4*e_3_3_1)
93242  e_4_3_3 = zetb*( c1*e_3_3_2 &
93243  +c3*e_4_3_2&
93244  +10*e_5_3_2 &
93245  -4*e_4_3_1)
93246  e_5_3_3 = zetb*( c1*e_4_3_2 &
93247  +c3*e_5_3_2&
93248 
93249  )
93250  e_6_3_3 = zetb*( c1*e_5_3_2 &
93251 
93252 
93253  )
93254  e_0_1_3 = zeta*( &
93255  +c2*e_0_0_3&
93256  +2*e_1_0_3 &
93257  )
93258  e_1_1_3 = zeta*( c1*e_0_0_3 &
93259  +c2*e_1_0_3&
93260  +4*e_2_0_3 &
93261  )
93262  e_2_1_3 = zeta*( c1*e_1_0_3 &
93263  +c2*e_2_0_3&
93264  +6*e_3_0_3 &
93265  )
93266  e_3_1_3 = zeta*( c1*e_2_0_3 &
93267  +c2*e_3_0_3&
93268 
93269  )
93270  e_4_1_3 = zeta*( c1*e_3_0_3 &
93271 
93272 
93273  )
93274  e_0_2_3 = zeta*( &
93275  +c2*e_0_1_3&
93276  +2*e_1_1_3 &
93277  -2*e_0_0_3)
93278  e_1_2_3 = zeta*( c1*e_0_1_3 &
93279  +c2*e_1_1_3&
93280  +4*e_2_1_3 &
93281  -2*e_1_0_3)
93282  e_2_2_3 = zeta*( c1*e_1_1_3 &
93283  +c2*e_2_1_3&
93284  +6*e_3_1_3 &
93285  -2*e_2_0_3)
93286  e_3_2_3 = zeta*( c1*e_2_1_3 &
93287  +c2*e_3_1_3&
93288  +8*e_4_1_3 &
93289  -2*e_3_0_3)
93290  e_4_2_3 = zeta*( c1*e_3_1_3 &
93291  +c2*e_4_1_3&
93292 
93293  )
93294  e_5_2_3 = zeta*( c1*e_4_1_3 &
93295 
93296 
93297  )
93298  e_0_3_3 = zeta*( &
93299  +c2*e_0_2_3&
93300  +2*e_1_2_3 &
93301  -4*e_0_1_3)
93302  e_1_3_3 = zeta*( c1*e_0_2_3 &
93303  +c2*e_1_2_3&
93304  +4*e_2_2_3 &
93305  -4*e_1_1_3)
93306  e_2_3_3 = zeta*( c1*e_1_2_3 &
93307  +c2*e_2_2_3&
93308  +6*e_3_2_3 &
93309  -4*e_2_1_3)
93310  e_3_3_3 = zeta*( c1*e_2_2_3 &
93311  +c2*e_3_2_3&
93312  +8*e_4_2_3 &
93313  -4*e_3_1_3)
93314  e_4_3_3 = zeta*( c1*e_3_2_3 &
93315  +c2*e_4_2_3&
93316  +10*e_5_2_3 &
93317  -4*e_4_1_3)
93318  e_5_3_3 = zeta*( c1*e_4_2_3 &
93319  +c2*e_5_2_3&
93320 
93321  )
93322  e_6_3_3 = zeta*( c1*e_5_2_3 &
93323 
93324 
93325  )
93326 
93327  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
93328  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
93329  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
93330  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
93331  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
93332  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
93333  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
93334  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
93335  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
93336  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
93337  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
93338  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
93339  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
93340  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
93341  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
93342  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
93343  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
93344  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
93345  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
93346  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
93347  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
93348  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
93349  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
93350  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
93351  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
93352  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
93353  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
93354  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
93355  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
93356  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
93357  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
93358  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
93359  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
93360  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
93361  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
93362  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
93363  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
93364  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
93365  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
93366  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
93367  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
93368  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
93369  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
93370  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
93371  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
93372  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
93373  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
93374  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
93375  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
93376  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
93377  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
93378  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
93379  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
93380  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
93381  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
93382  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
93383  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
93384  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
93385  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
93386  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
93387  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
93388  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
93389  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
93390  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
93391  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
93392  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
93393  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
93394  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
93395  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
93396  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
93397  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
93398  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
93399  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
93400  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
93401  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
93402  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
93403  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
93404  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
93405  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
93406  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
93407  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
93408  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
93409  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
93410  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
93411  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
93412  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
93413  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
93414  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
93415  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
93416  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
93417  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
93418  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
93419  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
93420  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
93421  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
93422  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
93423  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
93424  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
93425  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
93426  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
93427  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
93428  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
93429  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
93430  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
93431  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
93432  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
93433  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
93434  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
93435  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
93436  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
93437  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
93438  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
93439  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
93440  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
93441  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
93442  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
93443  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
93444  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
93445  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
93446  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
93447  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
93448  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
93449  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
93450  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
93451  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
93452  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
93453  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
93454  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
93455  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
93456  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
93457  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
93458  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
93459  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
93460  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
93461  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
93462  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
93463  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
93464  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
93465  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
93466  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
93467  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
93468  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
93469  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
93470  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
93471  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
93472  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
93473  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
93474  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
93475  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
93476  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
93477  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
93478  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
93479  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
93480  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
93481  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
93482  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
93483  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
93484  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
93485  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
93486  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
93487  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
93488  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
93489  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
93490  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
93491  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
93492  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
93493  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
93494  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
93495  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
93496  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
93497  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
93498  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
93499  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
93500  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
93501  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
93502  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
93503  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
93504  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
93505  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
93506  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
93507  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
93508  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
93509  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
93510  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
93511  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
93512  s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
93513  s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
93514  s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
93515  s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
93516  s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
93517  s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
93518  s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
93519  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
93520  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
93521  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
93522  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
93523  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
93524  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
93525  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
93526  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
93527  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
93528  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
93529  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
93530  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
93531  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
93532  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
93533  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
93534  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
93535  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
93536  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
93537  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
93538  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
93539  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
93540  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
93541  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
93542  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
93543  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
93544  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
93545  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
93546  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
93547  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
93548  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
93549  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
93550  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
93551  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
93552  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
93553  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
93554  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
93555  s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
93556  s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
93557  s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
93558  s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
93559  s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
93560  s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
93561  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
93562  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
93563  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
93564  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
93565  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
93566  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
93567  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
93568  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
93569  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
93570  s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
93571  s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
93572  s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
93573  s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
93574  s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
93575  s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
93576  s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
93577  s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
93578  s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
93579  s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
93580  s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
93581  s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
93582  s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
93583  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
93584  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
93585  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
93586  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
93587  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
93588  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
93589  s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
93590  s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
93591  s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
93592  s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
93593  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
93594  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
93595  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
93596  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
93597  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
93598  s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
93599  s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
93600  s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
93601  s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
93602  s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
93603  s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
93604  s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
93605  s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
93606  s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
93607  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
93608  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
93609  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
93610  s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
93611  s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
93612  s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
93613  s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
93614  s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
93615  s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
93616  s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
93617  s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
93618  s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
93619  s_r(3, 2, 4) = s_r(3, 2, 4) + e_0_3_2*(1)*s_r_t2_4 ! cost: 5 flops
93620  s_r(3, 2, 4) = s_r(3, 2, 4) + e_1_3_2*(1)*s_r_t2_5 ! cost: 5 flops
93621  s_r(3, 2, 4) = s_r(3, 2, 4) + e_2_3_2*(1)*s_r_t2_6 ! cost: 5 flops
93622  s_r(3, 2, 4) = s_r(3, 2, 4) + e_3_3_2*(1)*s_r_t2_7 ! cost: 5 flops
93623  s_r(3, 2, 4) = s_r(3, 2, 4) + e_4_3_2*(1)*s_r_t2_8 ! cost: 5 flops
93624  s_r(3, 2, 4) = s_r(3, 2, 4) + e_5_3_2*(1)*s_r_t2_9 ! cost: 5 flops
93625  s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
93626  s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
93627  s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
93628  s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
93629  s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
93630  s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
93631  s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
93632  s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
93633  s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
93634  s_r(2, 3, 4) = s_r(2, 3, 4) + e_0_2_3*(1)*s_r_t2_4 ! cost: 5 flops
93635  s_r(2, 3, 4) = s_r(2, 3, 4) + e_1_2_3*(1)*s_r_t2_5 ! cost: 5 flops
93636  s_r(2, 3, 4) = s_r(2, 3, 4) + e_2_2_3*(1)*s_r_t2_6 ! cost: 5 flops
93637  s_r(2, 3, 4) = s_r(2, 3, 4) + e_3_2_3*(1)*s_r_t2_7 ! cost: 5 flops
93638  s_r(2, 3, 4) = s_r(2, 3, 4) + e_4_2_3*(1)*s_r_t2_8 ! cost: 5 flops
93639  s_r(2, 3, 4) = s_r(2, 3, 4) + e_5_2_3*(1)*s_r_t2_9 ! cost: 5 flops
93640  s_r(3, 3, 4) = s_r(3, 3, 4) + e_0_3_3*(1)*s_r_t2_4 ! cost: 5 flops
93641  s_r(3, 3, 4) = s_r(3, 3, 4) + e_1_3_3*(1)*s_r_t2_5 ! cost: 5 flops
93642  s_r(3, 3, 4) = s_r(3, 3, 4) + e_2_3_3*(1)*s_r_t2_6 ! cost: 5 flops
93643  s_r(3, 3, 4) = s_r(3, 3, 4) + e_3_3_3*(1)*s_r_t2_7 ! cost: 5 flops
93644  s_r(3, 3, 4) = s_r(3, 3, 4) + e_4_3_3*(1)*s_r_t2_8 ! cost: 5 flops
93645  s_r(3, 3, 4) = s_r(3, 3, 4) + e_5_3_3*(1)*s_r_t2_9 ! cost: 5 flops
93646  s_r(3, 3, 4) = s_r(3, 3, 4) + e_6_3_3*(1)*s_r_t2_10 ! cost: 5 flops
93647  r1 = r1 + dr
93648  END DO
93649 
93650  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
93651  END SUBROUTINE
93652  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_4_0_exp_1 ( &
93653  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
93654  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
93655  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
93656  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
93657  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
93658  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
93659  r_pow_t, r_tmp, rr1_delta, rr2_delta
93660 
93661  REAL(kind=dp) :: c1, c2, c3
93662  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
93663  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
93664  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
93665  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
93666  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
93667  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
93668  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
93669  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
93670  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
93671  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
93672  & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3,&
93673  & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
93674  & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4
93675 
93676  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
93677 
93678  dr = lgth
93679  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
93680 
93681  s_r(:, :, :) = 0.0_dp
93682 
93683  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
93684 
93685  h_to_c_0_0 = sqrt(alpha/pi)
93686 
93687  h_to_c_0_1 = 0.0_dp
93688  h_to_c_1_1 = +2*alpha*h_to_c_0_0
93689  h_to_c_0_2 = -1*h_to_c_1_1
93690  h_to_c_1_2 = +2*alpha*h_to_c_0_1
93691  h_to_c_2_2 = +2*alpha*h_to_c_1_1
93692  h_to_c_0_3 = -1*h_to_c_1_2
93693  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
93694  h_to_c_2_3 = +2*alpha*h_to_c_1_2
93695  h_to_c_3_3 = +2*alpha*h_to_c_2_2
93696  h_to_c_0_4 = -1*h_to_c_1_3
93697  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
93698  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
93699  h_to_c_3_4 = +2*alpha*h_to_c_2_3
93700  h_to_c_4_4 = +2*alpha*h_to_c_3_3
93701  h_to_c_0_5 = -1*h_to_c_1_4
93702  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
93703  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
93704  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
93705  h_to_c_4_5 = +2*alpha*h_to_c_3_4
93706  h_to_c_5_5 = +2*alpha*h_to_c_4_4
93707  h_to_c_0_6 = -1*h_to_c_1_5
93708  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
93709  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
93710  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
93711  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
93712  h_to_c_5_6 = +2*alpha*h_to_c_4_5
93713  h_to_c_6_6 = +2*alpha*h_to_c_5_5
93714  h_to_c_0_7 = -1*h_to_c_1_6
93715  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
93716  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
93717  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
93718  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
93719  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
93720  h_to_c_6_7 = +2*alpha*h_to_c_5_6
93721  h_to_c_7_7 = +2*alpha*h_to_c_6_6
93722 
93723  exp_drsq = exp(-alpha*dr*dr)
93724  exp_2drsq = exp_drsq*exp_drsq
93725 
93726  rr1_delta = (ra - rb)/dr
93727 
93728  rr1_l = ceiling(-r_c(1) + rr1_delta)
93729  rr1_r = floor(r_c(1) + rr1_delta)
93730 
93731  r1 = rr1_l*dr
93732 
93733  alpha_e = zeta*zetb/(zeta + zetb)
93734 
93735  DO rr1 = rr1_l, rr1_r
93736  s_r_t_0 = 0.0_dp
93737  s_r_t2_0 = 0.0_dp
93738  s_r_t_1 = 0.0_dp
93739  s_r_t2_1 = 0.0_dp
93740  s_r_t_2 = 0.0_dp
93741  s_r_t2_2 = 0.0_dp
93742  s_r_t_3 = 0.0_dp
93743  s_r_t2_3 = 0.0_dp
93744  s_r_t_4 = 0.0_dp
93745  s_r_t2_4 = 0.0_dp
93746  s_r_t_5 = 0.0_dp
93747  s_r_t2_5 = 0.0_dp
93748  s_r_t_6 = 0.0_dp
93749  s_r_t2_6 = 0.0_dp
93750  s_r_t_7 = 0.0_dp
93751  s_r_t2_7 = 0.0_dp
93752  r_tmp = r_offset + r1*zeta/(zeta + zetb)
93753  rr2_delta = -r_tmp/dr
93754 
93755  rr2_l = ceiling(-r_c(2) + rr2_delta)
93756  rr2_r = floor(r_c(2) + rr2_delta)
93757 
93758  r = r_tmp + (rr2_l)*dr
93759 
93760  exp2_2rdr = exp(-2*alpha*r*dr)
93761  exp2_rsq = exp(-alpha*r*r)
93762 
93763  DO rr2 = rr2_l, rr2_r
93764  r_pow_t = 1.0_dp
93765  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
93766  r_pow_t = r_pow_t*r
93767  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
93768  r_pow_t = r_pow_t*r
93769  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
93770  r_pow_t = r_pow_t*r
93771  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
93772  r_pow_t = r_pow_t*r
93773  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
93774  r_pow_t = r_pow_t*r
93775  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
93776  r_pow_t = r_pow_t*r
93777  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
93778  r_pow_t = r_pow_t*r
93779  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
93780 
93781  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
93782  exp2_2rdr = exp2_2rdr*exp_2drsq
93783  r = r + dr
93784  END DO
93785 
93786  ! C --> H
93787  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
93788  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
93789  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
93790  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
93791  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
93792  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
93793  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
93794  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
93795  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
93796  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
93797  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
93798  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
93799  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
93800  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
93801  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
93802  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
93803  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
93804  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
93805  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
93806  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
93807  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
93808  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
93809  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
93810  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
93811  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
93812  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
93813  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
93814  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
93815  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
93816  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
93817  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
93818  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
93819  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
93820  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
93821  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
93822  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
93823 
93824  ! H --> HH
93825  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
93826 
93827  c1 = 1.0_dp/(zeta + zetb)
93828  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
93829  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
93830 
93831  e_0_1_0 = zeta*( &
93832  +c2*e_0_0_0&
93833 
93834  )
93835  e_0_0_1 = zetb*( &
93836  +c3*e_0_0_0&
93837 
93838  )
93839  e_1_1_0 = zeta*( c1*e_0_0_0 &
93840 
93841 
93842  )
93843  e_1_0_1 = zetb*( c1*e_0_0_0 &
93844 
93845 
93846  )
93847  e_0_2_0 = zeta*( &
93848  +c2*e_0_1_0&
93849  +2*e_1_1_0 &
93850  -2*e_0_0_0)
93851  e_0_1_1 = zetb*( &
93852  +c3*e_0_1_0&
93853  +2*e_1_1_0 &
93854  )
93855  e_1_2_0 = zeta*( c1*e_0_1_0 &
93856  +c2*e_1_1_0&
93857 
93858  )
93859  e_1_1_1 = zetb*( c1*e_0_1_0 &
93860  +c3*e_1_1_0&
93861 
93862  )
93863  e_2_2_0 = zeta*( c1*e_1_1_0 &
93864 
93865 
93866  )
93867  e_2_1_1 = zetb*( c1*e_1_1_0 &
93868 
93869 
93870  )
93871  e_0_3_0 = zeta*( &
93872  +c2*e_0_2_0&
93873  +2*e_1_2_0 &
93874  -4*e_0_1_0)
93875  e_0_2_1 = zetb*( &
93876  +c3*e_0_2_0&
93877  +2*e_1_2_0 &
93878  )
93879  e_1_3_0 = zeta*( c1*e_0_2_0 &
93880  +c2*e_1_2_0&
93881  +4*e_2_2_0 &
93882  -4*e_1_1_0)
93883  e_1_2_1 = zetb*( c1*e_0_2_0 &
93884  +c3*e_1_2_0&
93885  +4*e_2_2_0 &
93886  )
93887  e_2_3_0 = zeta*( c1*e_1_2_0 &
93888  +c2*e_2_2_0&
93889 
93890  )
93891  e_2_2_1 = zetb*( c1*e_1_2_0 &
93892  +c3*e_2_2_0&
93893 
93894  )
93895  e_3_3_0 = zeta*( c1*e_2_2_0 &
93896 
93897 
93898  )
93899  e_3_2_1 = zetb*( c1*e_2_2_0 &
93900 
93901 
93902  )
93903  e_0_3_1 = zetb*( &
93904  +c3*e_0_3_0&
93905  +2*e_1_3_0 &
93906  )
93907  e_1_3_1 = zetb*( c1*e_0_3_0 &
93908  +c3*e_1_3_0&
93909  +4*e_2_3_0 &
93910  )
93911  e_2_3_1 = zetb*( c1*e_1_3_0 &
93912  +c3*e_2_3_0&
93913  +6*e_3_3_0 &
93914  )
93915  e_3_3_1 = zetb*( c1*e_2_3_0 &
93916  +c3*e_3_3_0&
93917 
93918  )
93919  e_4_3_1 = zetb*( c1*e_3_3_0 &
93920 
93921 
93922  )
93923  e_0_1_1 = zeta*( &
93924  +c2*e_0_0_1&
93925  +2*e_1_0_1 &
93926  )
93927  e_0_0_2 = zetb*( &
93928  +c3*e_0_0_1&
93929  +2*e_1_0_1 &
93930  -2*e_0_0_0)
93931  e_1_1_1 = zeta*( c1*e_0_0_1 &
93932  +c2*e_1_0_1&
93933 
93934  )
93935  e_1_0_2 = zetb*( c1*e_0_0_1 &
93936  +c3*e_1_0_1&
93937 
93938  )
93939  e_2_1_1 = zeta*( c1*e_1_0_1 &
93940 
93941 
93942  )
93943  e_2_0_2 = zetb*( c1*e_1_0_1 &
93944 
93945 
93946  )
93947  e_0_2_1 = zeta*( &
93948  +c2*e_0_1_1&
93949  +2*e_1_1_1 &
93950  -2*e_0_0_1)
93951  e_0_1_2 = zetb*( &
93952  +c3*e_0_1_1&
93953  +2*e_1_1_1 &
93954  -2*e_0_1_0)
93955  e_1_2_1 = zeta*( c1*e_0_1_1 &
93956  +c2*e_1_1_1&
93957  +4*e_2_1_1 &
93958  -2*e_1_0_1)
93959  e_1_1_2 = zetb*( c1*e_0_1_1 &
93960  +c3*e_1_1_1&
93961  +4*e_2_1_1 &
93962  -2*e_1_1_0)
93963  e_2_2_1 = zeta*( c1*e_1_1_1 &
93964  +c2*e_2_1_1&
93965 
93966  )
93967  e_2_1_2 = zetb*( c1*e_1_1_1 &
93968  +c3*e_2_1_1&
93969 
93970  )
93971  e_3_2_1 = zeta*( c1*e_2_1_1 &
93972 
93973 
93974  )
93975  e_3_1_2 = zetb*( c1*e_2_1_1 &
93976 
93977 
93978  )
93979  e_0_3_1 = zeta*( &
93980  +c2*e_0_2_1&
93981  +2*e_1_2_1 &
93982  -4*e_0_1_1)
93983  e_0_2_2 = zetb*( &
93984  +c3*e_0_2_1&
93985  +2*e_1_2_1 &
93986  -2*e_0_2_0)
93987  e_1_3_1 = zeta*( c1*e_0_2_1 &
93988  +c2*e_1_2_1&
93989  +4*e_2_2_1 &
93990  -4*e_1_1_1)
93991  e_1_2_2 = zetb*( c1*e_0_2_1 &
93992  +c3*e_1_2_1&
93993  +4*e_2_2_1 &
93994  -2*e_1_2_0)
93995  e_2_3_1 = zeta*( c1*e_1_2_1 &
93996  +c2*e_2_2_1&
93997  +6*e_3_2_1 &
93998  -4*e_2_1_1)
93999  e_2_2_2 = zetb*( c1*e_1_2_1 &
94000  +c3*e_2_2_1&
94001  +6*e_3_2_1 &
94002  -2*e_2_2_0)
94003  e_3_3_1 = zeta*( c1*e_2_2_1 &
94004  +c2*e_3_2_1&
94005 
94006  )
94007  e_3_2_2 = zetb*( c1*e_2_2_1 &
94008  +c3*e_3_2_1&
94009 
94010  )
94011  e_4_3_1 = zeta*( c1*e_3_2_1 &
94012 
94013 
94014  )
94015  e_4_2_2 = zetb*( c1*e_3_2_1 &
94016 
94017 
94018  )
94019  e_0_3_2 = zetb*( &
94020  +c3*e_0_3_1&
94021  +2*e_1_3_1 &
94022  -2*e_0_3_0)
94023  e_1_3_2 = zetb*( c1*e_0_3_1 &
94024  +c3*e_1_3_1&
94025  +4*e_2_3_1 &
94026  -2*e_1_3_0)
94027  e_2_3_2 = zetb*( c1*e_1_3_1 &
94028  +c3*e_2_3_1&
94029  +6*e_3_3_1 &
94030  -2*e_2_3_0)
94031  e_3_3_2 = zetb*( c1*e_2_3_1 &
94032  +c3*e_3_3_1&
94033  +8*e_4_3_1 &
94034  -2*e_3_3_0)
94035  e_4_3_2 = zetb*( c1*e_3_3_1 &
94036  +c3*e_4_3_1&
94037 
94038  )
94039  e_5_3_2 = zetb*( c1*e_4_3_1 &
94040 
94041 
94042  )
94043  e_0_1_2 = zeta*( &
94044  +c2*e_0_0_2&
94045  +2*e_1_0_2 &
94046  )
94047  e_0_0_3 = zetb*( &
94048  +c3*e_0_0_2&
94049  +2*e_1_0_2 &
94050  -4*e_0_0_1)
94051  e_1_1_2 = zeta*( c1*e_0_0_2 &
94052  +c2*e_1_0_2&
94053  +4*e_2_0_2 &
94054  )
94055  e_1_0_3 = zetb*( c1*e_0_0_2 &
94056  +c3*e_1_0_2&
94057  +4*e_2_0_2 &
94058  -4*e_1_0_1)
94059  e_2_1_2 = zeta*( c1*e_1_0_2 &
94060  +c2*e_2_0_2&
94061 
94062  )
94063  e_2_0_3 = zetb*( c1*e_1_0_2 &
94064  +c3*e_2_0_2&
94065 
94066  )
94067  e_3_1_2 = zeta*( c1*e_2_0_2 &
94068 
94069 
94070  )
94071  e_3_0_3 = zetb*( c1*e_2_0_2 &
94072 
94073 
94074  )
94075  e_0_2_2 = zeta*( &
94076  +c2*e_0_1_2&
94077  +2*e_1_1_2 &
94078  -2*e_0_0_2)
94079  e_0_1_3 = zetb*( &
94080  +c3*e_0_1_2&
94081  +2*e_1_1_2 &
94082  -4*e_0_1_1)
94083  e_1_2_2 = zeta*( c1*e_0_1_2 &
94084  +c2*e_1_1_2&
94085  +4*e_2_1_2 &
94086  -2*e_1_0_2)
94087  e_1_1_3 = zetb*( c1*e_0_1_2 &
94088  +c3*e_1_1_2&
94089  +4*e_2_1_2 &
94090  -4*e_1_1_1)
94091  e_2_2_2 = zeta*( c1*e_1_1_2 &
94092  +c2*e_2_1_2&
94093  +6*e_3_1_2 &
94094  -2*e_2_0_2)
94095  e_2_1_3 = zetb*( c1*e_1_1_2 &
94096  +c3*e_2_1_2&
94097  +6*e_3_1_2 &
94098  -4*e_2_1_1)
94099  e_3_2_2 = zeta*( c1*e_2_1_2 &
94100  +c2*e_3_1_2&
94101 
94102  )
94103  e_3_1_3 = zetb*( c1*e_2_1_2 &
94104  +c3*e_3_1_2&
94105 
94106  )
94107  e_4_2_2 = zeta*( c1*e_3_1_2 &
94108 
94109 
94110  )
94111  e_4_1_3 = zetb*( c1*e_3_1_2 &
94112 
94113 
94114  )
94115  e_0_3_2 = zeta*( &
94116  +c2*e_0_2_2&
94117  +2*e_1_2_2 &
94118  -4*e_0_1_2)
94119  e_0_2_3 = zetb*( &
94120  +c3*e_0_2_2&
94121  +2*e_1_2_2 &
94122  -4*e_0_2_1)
94123  e_1_3_2 = zeta*( c1*e_0_2_2 &
94124  +c2*e_1_2_2&
94125  +4*e_2_2_2 &
94126  -4*e_1_1_2)
94127  e_1_2_3 = zetb*( c1*e_0_2_2 &
94128  +c3*e_1_2_2&
94129  +4*e_2_2_2 &
94130  -4*e_1_2_1)
94131  e_2_3_2 = zeta*( c1*e_1_2_2 &
94132  +c2*e_2_2_2&
94133  +6*e_3_2_2 &
94134  -4*e_2_1_2)
94135  e_2_2_3 = zetb*( c1*e_1_2_2 &
94136  +c3*e_2_2_2&
94137  +6*e_3_2_2 &
94138  -4*e_2_2_1)
94139  e_3_3_2 = zeta*( c1*e_2_2_2 &
94140  +c2*e_3_2_2&
94141  +8*e_4_2_2 &
94142  -4*e_3_1_2)
94143  e_3_2_3 = zetb*( c1*e_2_2_2 &
94144  +c3*e_3_2_2&
94145  +8*e_4_2_2 &
94146  -4*e_3_2_1)
94147  e_4_3_2 = zeta*( c1*e_3_2_2 &
94148  +c2*e_4_2_2&
94149 
94150  )
94151  e_4_2_3 = zetb*( c1*e_3_2_2 &
94152  +c3*e_4_2_2&
94153 
94154  )
94155  e_5_3_2 = zeta*( c1*e_4_2_2 &
94156 
94157 
94158  )
94159  e_5_2_3 = zetb*( c1*e_4_2_2 &
94160 
94161 
94162  )
94163  e_0_3_3 = zetb*( &
94164  +c3*e_0_3_2&
94165  +2*e_1_3_2 &
94166  -4*e_0_3_1)
94167  e_1_3_3 = zetb*( c1*e_0_3_2 &
94168  +c3*e_1_3_2&
94169  +4*e_2_3_2 &
94170  -4*e_1_3_1)
94171  e_2_3_3 = zetb*( c1*e_1_3_2 &
94172  +c3*e_2_3_2&
94173  +6*e_3_3_2 &
94174  -4*e_2_3_1)
94175  e_3_3_3 = zetb*( c1*e_2_3_2 &
94176  +c3*e_3_3_2&
94177  +8*e_4_3_2 &
94178  -4*e_3_3_1)
94179  e_4_3_3 = zetb*( c1*e_3_3_2 &
94180  +c3*e_4_3_2&
94181  +10*e_5_3_2 &
94182  -4*e_4_3_1)
94183  e_5_3_3 = zetb*( c1*e_4_3_2 &
94184  +c3*e_5_3_2&
94185 
94186  )
94187  e_6_3_3 = zetb*( c1*e_5_3_2 &
94188 
94189 
94190  )
94191  e_0_1_3 = zeta*( &
94192  +c2*e_0_0_3&
94193  +2*e_1_0_3 &
94194  )
94195  e_0_0_4 = zetb*( &
94196  +c3*e_0_0_3&
94197  +2*e_1_0_3 &
94198  -6*e_0_0_2)
94199  e_1_1_3 = zeta*( c1*e_0_0_3 &
94200  +c2*e_1_0_3&
94201  +4*e_2_0_3 &
94202  )
94203  e_1_0_4 = zetb*( c1*e_0_0_3 &
94204  +c3*e_1_0_3&
94205  +4*e_2_0_3 &
94206  -6*e_1_0_2)
94207  e_2_1_3 = zeta*( c1*e_1_0_3 &
94208  +c2*e_2_0_3&
94209  +6*e_3_0_3 &
94210  )
94211  e_2_0_4 = zetb*( c1*e_1_0_3 &
94212  +c3*e_2_0_3&
94213  +6*e_3_0_3 &
94214  -6*e_2_0_2)
94215  e_3_1_3 = zeta*( c1*e_2_0_3 &
94216  +c2*e_3_0_3&
94217 
94218  )
94219  e_3_0_4 = zetb*( c1*e_2_0_3 &
94220  +c3*e_3_0_3&
94221 
94222  )
94223  e_4_1_3 = zeta*( c1*e_3_0_3 &
94224 
94225 
94226  )
94227  e_4_0_4 = zetb*( c1*e_3_0_3 &
94228 
94229 
94230  )
94231  e_0_2_3 = zeta*( &
94232  +c2*e_0_1_3&
94233  +2*e_1_1_3 &
94234  -2*e_0_0_3)
94235  e_0_1_4 = zetb*( &
94236  +c3*e_0_1_3&
94237  +2*e_1_1_3 &
94238  -6*e_0_1_2)
94239  e_1_2_3 = zeta*( c1*e_0_1_3 &
94240  +c2*e_1_1_3&
94241  +4*e_2_1_3 &
94242  -2*e_1_0_3)
94243  e_1_1_4 = zetb*( c1*e_0_1_3 &
94244  +c3*e_1_1_3&
94245  +4*e_2_1_3 &
94246  -6*e_1_1_2)
94247  e_2_2_3 = zeta*( c1*e_1_1_3 &
94248  +c2*e_2_1_3&
94249  +6*e_3_1_3 &
94250  -2*e_2_0_3)
94251  e_2_1_4 = zetb*( c1*e_1_1_3 &
94252  +c3*e_2_1_3&
94253  +6*e_3_1_3 &
94254  -6*e_2_1_2)
94255  e_3_2_3 = zeta*( c1*e_2_1_3 &
94256  +c2*e_3_1_3&
94257  +8*e_4_1_3 &
94258  -2*e_3_0_3)
94259  e_3_1_4 = zetb*( c1*e_2_1_3 &
94260  +c3*e_3_1_3&
94261  +8*e_4_1_3 &
94262  -6*e_3_1_2)
94263  e_4_2_3 = zeta*( c1*e_3_1_3 &
94264  +c2*e_4_1_3&
94265 
94266  )
94267  e_4_1_4 = zetb*( c1*e_3_1_3 &
94268  +c3*e_4_1_3&
94269 
94270  )
94271  e_5_2_3 = zeta*( c1*e_4_1_3 &
94272 
94273 
94274  )
94275  e_5_1_4 = zetb*( c1*e_4_1_3 &
94276 
94277 
94278  )
94279  e_0_3_3 = zeta*( &
94280  +c2*e_0_2_3&
94281  +2*e_1_2_3 &
94282  -4*e_0_1_3)
94283  e_0_2_4 = zetb*( &
94284  +c3*e_0_2_3&
94285  +2*e_1_2_3 &
94286  -6*e_0_2_2)
94287  e_1_3_3 = zeta*( c1*e_0_2_3 &
94288  +c2*e_1_2_3&
94289  +4*e_2_2_3 &
94290  -4*e_1_1_3)
94291  e_1_2_4 = zetb*( c1*e_0_2_3 &
94292  +c3*e_1_2_3&
94293  +4*e_2_2_3 &
94294  -6*e_1_2_2)
94295  e_2_3_3 = zeta*( c1*e_1_2_3 &
94296  +c2*e_2_2_3&
94297  +6*e_3_2_3 &
94298  -4*e_2_1_3)
94299  e_2_2_4 = zetb*( c1*e_1_2_3 &
94300  +c3*e_2_2_3&
94301  +6*e_3_2_3 &
94302  -6*e_2_2_2)
94303  e_3_3_3 = zeta*( c1*e_2_2_3 &
94304  +c2*e_3_2_3&
94305  +8*e_4_2_3 &
94306  -4*e_3_1_3)
94307  e_3_2_4 = zetb*( c1*e_2_2_3 &
94308  +c3*e_3_2_3&
94309  +8*e_4_2_3 &
94310  -6*e_3_2_2)
94311  e_4_3_3 = zeta*( c1*e_3_2_3 &
94312  +c2*e_4_2_3&
94313  +10*e_5_2_3 &
94314  -4*e_4_1_3)
94315  e_4_2_4 = zetb*( c1*e_3_2_3 &
94316  +c3*e_4_2_3&
94317  +10*e_5_2_3 &
94318  -6*e_4_2_2)
94319  e_5_3_3 = zeta*( c1*e_4_2_3 &
94320  +c2*e_5_2_3&
94321 
94322  )
94323  e_5_2_4 = zetb*( c1*e_4_2_3 &
94324  +c3*e_5_2_3&
94325 
94326  )
94327  e_6_3_3 = zeta*( c1*e_5_2_3 &
94328 
94329 
94330  )
94331  e_6_2_4 = zetb*( c1*e_5_2_3 &
94332 
94333 
94334  )
94335  e_0_3_4 = zetb*( &
94336  +c3*e_0_3_3&
94337  +2*e_1_3_3 &
94338  -6*e_0_3_2)
94339  e_1_3_4 = zetb*( c1*e_0_3_3 &
94340  +c3*e_1_3_3&
94341  +4*e_2_3_3 &
94342  -6*e_1_3_2)
94343  e_2_3_4 = zetb*( c1*e_1_3_3 &
94344  +c3*e_2_3_3&
94345  +6*e_3_3_3 &
94346  -6*e_2_3_2)
94347  e_3_3_4 = zetb*( c1*e_2_3_3 &
94348  +c3*e_3_3_3&
94349  +8*e_4_3_3 &
94350  -6*e_3_3_2)
94351  e_4_3_4 = zetb*( c1*e_3_3_3 &
94352  +c3*e_4_3_3&
94353  +10*e_5_3_3 &
94354  -6*e_4_3_2)
94355  e_5_3_4 = zetb*( c1*e_4_3_3 &
94356  +c3*e_5_3_3&
94357  +12*e_6_3_3 &
94358  -6*e_5_3_2)
94359  e_6_3_4 = zetb*( c1*e_5_3_3 &
94360  +c3*e_6_3_3&
94361 
94362  )
94363  e_7_3_4 = zetb*( c1*e_6_3_3 &
94364 
94365 
94366  )
94367  e_0_1_4 = zeta*( &
94368  +c2*e_0_0_4&
94369  +2*e_1_0_4 &
94370  )
94371  e_1_1_4 = zeta*( c1*e_0_0_4 &
94372  +c2*e_1_0_4&
94373  +4*e_2_0_4 &
94374  )
94375  e_2_1_4 = zeta*( c1*e_1_0_4 &
94376  +c2*e_2_0_4&
94377  +6*e_3_0_4 &
94378  )
94379  e_3_1_4 = zeta*( c1*e_2_0_4 &
94380  +c2*e_3_0_4&
94381  +8*e_4_0_4 &
94382  )
94383  e_4_1_4 = zeta*( c1*e_3_0_4 &
94384  +c2*e_4_0_4&
94385 
94386  )
94387  e_5_1_4 = zeta*( c1*e_4_0_4 &
94388 
94389 
94390  )
94391  e_0_2_4 = zeta*( &
94392  +c2*e_0_1_4&
94393  +2*e_1_1_4 &
94394  -2*e_0_0_4)
94395  e_1_2_4 = zeta*( c1*e_0_1_4 &
94396  +c2*e_1_1_4&
94397  +4*e_2_1_4 &
94398  -2*e_1_0_4)
94399  e_2_2_4 = zeta*( c1*e_1_1_4 &
94400  +c2*e_2_1_4&
94401  +6*e_3_1_4 &
94402  -2*e_2_0_4)
94403  e_3_2_4 = zeta*( c1*e_2_1_4 &
94404  +c2*e_3_1_4&
94405  +8*e_4_1_4 &
94406  -2*e_3_0_4)
94407  e_4_2_4 = zeta*( c1*e_3_1_4 &
94408  +c2*e_4_1_4&
94409  +10*e_5_1_4 &
94410  -2*e_4_0_4)
94411  e_5_2_4 = zeta*( c1*e_4_1_4 &
94412  +c2*e_5_1_4&
94413 
94414  )
94415  e_6_2_4 = zeta*( c1*e_5_1_4 &
94416 
94417 
94418  )
94419  e_0_3_4 = zeta*( &
94420  +c2*e_0_2_4&
94421  +2*e_1_2_4 &
94422  -4*e_0_1_4)
94423  e_1_3_4 = zeta*( c1*e_0_2_4 &
94424  +c2*e_1_2_4&
94425  +4*e_2_2_4 &
94426  -4*e_1_1_4)
94427  e_2_3_4 = zeta*( c1*e_1_2_4 &
94428  +c2*e_2_2_4&
94429  +6*e_3_2_4 &
94430  -4*e_2_1_4)
94431  e_3_3_4 = zeta*( c1*e_2_2_4 &
94432  +c2*e_3_2_4&
94433  +8*e_4_2_4 &
94434  -4*e_3_1_4)
94435  e_4_3_4 = zeta*( c1*e_3_2_4 &
94436  +c2*e_4_2_4&
94437  +10*e_5_2_4 &
94438  -4*e_4_1_4)
94439  e_5_3_4 = zeta*( c1*e_4_2_4 &
94440  +c2*e_5_2_4&
94441  +12*e_6_2_4 &
94442  -4*e_5_1_4)
94443  e_6_3_4 = zeta*( c1*e_5_2_4 &
94444  +c2*e_6_2_4&
94445 
94446  )
94447  e_7_3_4 = zeta*( c1*e_6_2_4 &
94448 
94449 
94450  )
94451 
94452  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
94453  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
94454  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
94455  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
94456  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
94457  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
94458  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
94459  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
94460  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
94461  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
94462  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
94463  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
94464  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
94465  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
94466  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
94467  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
94468  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
94469  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
94470  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
94471  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
94472  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
94473  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
94474  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
94475  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
94476  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
94477  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
94478  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
94479  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
94480  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
94481  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
94482  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
94483  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
94484  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
94485  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
94486  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
94487  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
94488  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
94489  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
94490  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
94491  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
94492  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
94493  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
94494  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
94495  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
94496  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
94497  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
94498  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
94499  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
94500  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
94501  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
94502  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
94503  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
94504  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
94505  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
94506  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
94507  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
94508  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
94509  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
94510  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
94511  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
94512  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
94513  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
94514  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
94515  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
94516  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
94517  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
94518  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
94519  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
94520  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
94521  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
94522  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
94523  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
94524  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
94525  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
94526  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
94527  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
94528  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
94529  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
94530  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
94531  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
94532  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
94533  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
94534  s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
94535  s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
94536  s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
94537  s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
94538  s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
94539  s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
94540  s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
94541  s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
94542  r1 = r1 + dr
94543  END DO
94544 
94545  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
94546  END SUBROUTINE
94547  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_4_1_exp_1 ( &
94548  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
94549  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
94550  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
94551  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
94552  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
94553  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
94554  r_pow_t, r_tmp, rr1_delta, rr2_delta
94555 
94556  REAL(kind=dp) :: c1, c2, c3
94557  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
94558  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
94559  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
94560  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
94561  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
94562  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
94563  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
94564  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
94565  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
94566  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
94567  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
94568  & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3,&
94569  & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
94570  & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4
94571 
94572  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
94573 
94574  dr = lgth
94575  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
94576 
94577  s_r(:, :, :) = 0.0_dp
94578 
94579  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
94580 
94581  h_to_c_0_0 = sqrt(alpha/pi)
94582 
94583  h_to_c_0_1 = 0.0_dp
94584  h_to_c_1_1 = +2*alpha*h_to_c_0_0
94585  h_to_c_0_2 = -1*h_to_c_1_1
94586  h_to_c_1_2 = +2*alpha*h_to_c_0_1
94587  h_to_c_2_2 = +2*alpha*h_to_c_1_1
94588  h_to_c_0_3 = -1*h_to_c_1_2
94589  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
94590  h_to_c_2_3 = +2*alpha*h_to_c_1_2
94591  h_to_c_3_3 = +2*alpha*h_to_c_2_2
94592  h_to_c_0_4 = -1*h_to_c_1_3
94593  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
94594  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
94595  h_to_c_3_4 = +2*alpha*h_to_c_2_3
94596  h_to_c_4_4 = +2*alpha*h_to_c_3_3
94597  h_to_c_0_5 = -1*h_to_c_1_4
94598  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
94599  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
94600  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
94601  h_to_c_4_5 = +2*alpha*h_to_c_3_4
94602  h_to_c_5_5 = +2*alpha*h_to_c_4_4
94603  h_to_c_0_6 = -1*h_to_c_1_5
94604  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
94605  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
94606  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
94607  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
94608  h_to_c_5_6 = +2*alpha*h_to_c_4_5
94609  h_to_c_6_6 = +2*alpha*h_to_c_5_5
94610  h_to_c_0_7 = -1*h_to_c_1_6
94611  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
94612  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
94613  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
94614  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
94615  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
94616  h_to_c_6_7 = +2*alpha*h_to_c_5_6
94617  h_to_c_7_7 = +2*alpha*h_to_c_6_6
94618  h_to_c_0_8 = -1*h_to_c_1_7
94619  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
94620  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
94621  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
94622  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
94623  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
94624  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
94625  h_to_c_7_8 = +2*alpha*h_to_c_6_7
94626  h_to_c_8_8 = +2*alpha*h_to_c_7_7
94627 
94628  exp_drsq = exp(-alpha*dr*dr)
94629  exp_2drsq = exp_drsq*exp_drsq
94630 
94631  rr1_delta = (ra - rb)/dr
94632 
94633  rr1_l = ceiling(-r_c(1) + rr1_delta)
94634  rr1_r = floor(r_c(1) + rr1_delta)
94635 
94636  r1 = rr1_l*dr
94637 
94638  alpha_e = zeta*zetb/(zeta + zetb)
94639 
94640  DO rr1 = rr1_l, rr1_r
94641  s_r_t_0 = 0.0_dp
94642  s_r_t2_0 = 0.0_dp
94643  s_r_t_1 = 0.0_dp
94644  s_r_t2_1 = 0.0_dp
94645  s_r_t_2 = 0.0_dp
94646  s_r_t2_2 = 0.0_dp
94647  s_r_t_3 = 0.0_dp
94648  s_r_t2_3 = 0.0_dp
94649  s_r_t_4 = 0.0_dp
94650  s_r_t2_4 = 0.0_dp
94651  s_r_t_5 = 0.0_dp
94652  s_r_t2_5 = 0.0_dp
94653  s_r_t_6 = 0.0_dp
94654  s_r_t2_6 = 0.0_dp
94655  s_r_t_7 = 0.0_dp
94656  s_r_t2_7 = 0.0_dp
94657  s_r_t_8 = 0.0_dp
94658  s_r_t2_8 = 0.0_dp
94659  r_tmp = r_offset + r1*zeta/(zeta + zetb)
94660  rr2_delta = -r_tmp/dr
94661 
94662  rr2_l = ceiling(-r_c(2) + rr2_delta)
94663  rr2_r = floor(r_c(2) + rr2_delta)
94664 
94665  r = r_tmp + (rr2_l)*dr
94666 
94667  exp2_2rdr = exp(-2*alpha*r*dr)
94668  exp2_rsq = exp(-alpha*r*r)
94669 
94670  DO rr2 = rr2_l, rr2_r
94671  r_pow_t = 1.0_dp
94672  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
94673  r_pow_t = r_pow_t*r
94674  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
94675  r_pow_t = r_pow_t*r
94676  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
94677  r_pow_t = r_pow_t*r
94678  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
94679  r_pow_t = r_pow_t*r
94680  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
94681  r_pow_t = r_pow_t*r
94682  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
94683  r_pow_t = r_pow_t*r
94684  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
94685  r_pow_t = r_pow_t*r
94686  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
94687  r_pow_t = r_pow_t*r
94688  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
94689 
94690  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
94691  exp2_2rdr = exp2_2rdr*exp_2drsq
94692  r = r + dr
94693  END DO
94694 
94695  ! C --> H
94696  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
94697  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
94698  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
94699  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
94700  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
94701  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
94702  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
94703  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
94704  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
94705  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
94706  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
94707  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
94708  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
94709  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
94710  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
94711  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
94712  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
94713  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
94714  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
94715  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
94716  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
94717  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
94718  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
94719  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
94720  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
94721  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
94722  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
94723  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
94724  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
94725  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
94726  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
94727  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
94728  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
94729  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
94730  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
94731  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
94732  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
94733  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
94734  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
94735  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
94736  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
94737  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
94738  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
94739  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
94740  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
94741 
94742  ! H --> HH
94743  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
94744 
94745  c1 = 1.0_dp/(zeta + zetb)
94746  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
94747  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
94748 
94749  e_0_1_0 = zeta*( &
94750  +c2*e_0_0_0&
94751 
94752  )
94753  e_0_0_1 = zetb*( &
94754  +c3*e_0_0_0&
94755 
94756  )
94757  e_1_1_0 = zeta*( c1*e_0_0_0 &
94758 
94759 
94760  )
94761  e_1_0_1 = zetb*( c1*e_0_0_0 &
94762 
94763 
94764  )
94765  e_0_2_0 = zeta*( &
94766  +c2*e_0_1_0&
94767  +2*e_1_1_0 &
94768  -2*e_0_0_0)
94769  e_0_1_1 = zetb*( &
94770  +c3*e_0_1_0&
94771  +2*e_1_1_0 &
94772  )
94773  e_1_2_0 = zeta*( c1*e_0_1_0 &
94774  +c2*e_1_1_0&
94775 
94776  )
94777  e_1_1_1 = zetb*( c1*e_0_1_0 &
94778  +c3*e_1_1_0&
94779 
94780  )
94781  e_2_2_0 = zeta*( c1*e_1_1_0 &
94782 
94783 
94784  )
94785  e_2_1_1 = zetb*( c1*e_1_1_0 &
94786 
94787 
94788  )
94789  e_0_3_0 = zeta*( &
94790  +c2*e_0_2_0&
94791  +2*e_1_2_0 &
94792  -4*e_0_1_0)
94793  e_0_2_1 = zetb*( &
94794  +c3*e_0_2_0&
94795  +2*e_1_2_0 &
94796  )
94797  e_1_3_0 = zeta*( c1*e_0_2_0 &
94798  +c2*e_1_2_0&
94799  +4*e_2_2_0 &
94800  -4*e_1_1_0)
94801  e_1_2_1 = zetb*( c1*e_0_2_0 &
94802  +c3*e_1_2_0&
94803  +4*e_2_2_0 &
94804  )
94805  e_2_3_0 = zeta*( c1*e_1_2_0 &
94806  +c2*e_2_2_0&
94807 
94808  )
94809  e_2_2_1 = zetb*( c1*e_1_2_0 &
94810  +c3*e_2_2_0&
94811 
94812  )
94813  e_3_3_0 = zeta*( c1*e_2_2_0 &
94814 
94815 
94816  )
94817  e_3_2_1 = zetb*( c1*e_2_2_0 &
94818 
94819 
94820  )
94821  e_0_3_1 = zetb*( &
94822  +c3*e_0_3_0&
94823  +2*e_1_3_0 &
94824  )
94825  e_1_3_1 = zetb*( c1*e_0_3_0 &
94826  +c3*e_1_3_0&
94827  +4*e_2_3_0 &
94828  )
94829  e_2_3_1 = zetb*( c1*e_1_3_0 &
94830  +c3*e_2_3_0&
94831  +6*e_3_3_0 &
94832  )
94833  e_3_3_1 = zetb*( c1*e_2_3_0 &
94834  +c3*e_3_3_0&
94835 
94836  )
94837  e_4_3_1 = zetb*( c1*e_3_3_0 &
94838 
94839 
94840  )
94841  e_0_1_1 = zeta*( &
94842  +c2*e_0_0_1&
94843  +2*e_1_0_1 &
94844  )
94845  e_0_0_2 = zetb*( &
94846  +c3*e_0_0_1&
94847  +2*e_1_0_1 &
94848  -2*e_0_0_0)
94849  e_1_1_1 = zeta*( c1*e_0_0_1 &
94850  +c2*e_1_0_1&
94851 
94852  )
94853  e_1_0_2 = zetb*( c1*e_0_0_1 &
94854  +c3*e_1_0_1&
94855 
94856  )
94857  e_2_1_1 = zeta*( c1*e_1_0_1 &
94858 
94859 
94860  )
94861  e_2_0_2 = zetb*( c1*e_1_0_1 &
94862 
94863 
94864  )
94865  e_0_2_1 = zeta*( &
94866  +c2*e_0_1_1&
94867  +2*e_1_1_1 &
94868  -2*e_0_0_1)
94869  e_0_1_2 = zetb*( &
94870  +c3*e_0_1_1&
94871  +2*e_1_1_1 &
94872  -2*e_0_1_0)
94873  e_1_2_1 = zeta*( c1*e_0_1_1 &
94874  +c2*e_1_1_1&
94875  +4*e_2_1_1 &
94876  -2*e_1_0_1)
94877  e_1_1_2 = zetb*( c1*e_0_1_1 &
94878  +c3*e_1_1_1&
94879  +4*e_2_1_1 &
94880  -2*e_1_1_0)
94881  e_2_2_1 = zeta*( c1*e_1_1_1 &
94882  +c2*e_2_1_1&
94883 
94884  )
94885  e_2_1_2 = zetb*( c1*e_1_1_1 &
94886  +c3*e_2_1_1&
94887 
94888  )
94889  e_3_2_1 = zeta*( c1*e_2_1_1 &
94890 
94891 
94892  )
94893  e_3_1_2 = zetb*( c1*e_2_1_1 &
94894 
94895 
94896  )
94897  e_0_3_1 = zeta*( &
94898  +c2*e_0_2_1&
94899  +2*e_1_2_1 &
94900  -4*e_0_1_1)
94901  e_0_2_2 = zetb*( &
94902  +c3*e_0_2_1&
94903  +2*e_1_2_1 &
94904  -2*e_0_2_0)
94905  e_1_3_1 = zeta*( c1*e_0_2_1 &
94906  +c2*e_1_2_1&
94907  +4*e_2_2_1 &
94908  -4*e_1_1_1)
94909  e_1_2_2 = zetb*( c1*e_0_2_1 &
94910  +c3*e_1_2_1&
94911  +4*e_2_2_1 &
94912  -2*e_1_2_0)
94913  e_2_3_1 = zeta*( c1*e_1_2_1 &
94914  +c2*e_2_2_1&
94915  +6*e_3_2_1 &
94916  -4*e_2_1_1)
94917  e_2_2_2 = zetb*( c1*e_1_2_1 &
94918  +c3*e_2_2_1&
94919  +6*e_3_2_1 &
94920  -2*e_2_2_0)
94921  e_3_3_1 = zeta*( c1*e_2_2_1 &
94922  +c2*e_3_2_1&
94923 
94924  )
94925  e_3_2_2 = zetb*( c1*e_2_2_1 &
94926  +c3*e_3_2_1&
94927 
94928  )
94929  e_4_3_1 = zeta*( c1*e_3_2_1 &
94930 
94931 
94932  )
94933  e_4_2_2 = zetb*( c1*e_3_2_1 &
94934 
94935 
94936  )
94937  e_0_3_2 = zetb*( &
94938  +c3*e_0_3_1&
94939  +2*e_1_3_1 &
94940  -2*e_0_3_0)
94941  e_1_3_2 = zetb*( c1*e_0_3_1 &
94942  +c3*e_1_3_1&
94943  +4*e_2_3_1 &
94944  -2*e_1_3_0)
94945  e_2_3_2 = zetb*( c1*e_1_3_1 &
94946  +c3*e_2_3_1&
94947  +6*e_3_3_1 &
94948  -2*e_2_3_0)
94949  e_3_3_2 = zetb*( c1*e_2_3_1 &
94950  +c3*e_3_3_1&
94951  +8*e_4_3_1 &
94952  -2*e_3_3_0)
94953  e_4_3_2 = zetb*( c1*e_3_3_1 &
94954  +c3*e_4_3_1&
94955 
94956  )
94957  e_5_3_2 = zetb*( c1*e_4_3_1 &
94958 
94959 
94960  )
94961  e_0_1_2 = zeta*( &
94962  +c2*e_0_0_2&
94963  +2*e_1_0_2 &
94964  )
94965  e_0_0_3 = zetb*( &
94966  +c3*e_0_0_2&
94967  +2*e_1_0_2 &
94968  -4*e_0_0_1)
94969  e_1_1_2 = zeta*( c1*e_0_0_2 &
94970  +c2*e_1_0_2&
94971  +4*e_2_0_2 &
94972  )
94973  e_1_0_3 = zetb*( c1*e_0_0_2 &
94974  +c3*e_1_0_2&
94975  +4*e_2_0_2 &
94976  -4*e_1_0_1)
94977  e_2_1_2 = zeta*( c1*e_1_0_2 &
94978  +c2*e_2_0_2&
94979 
94980  )
94981  e_2_0_3 = zetb*( c1*e_1_0_2 &
94982  +c3*e_2_0_2&
94983 
94984  )
94985  e_3_1_2 = zeta*( c1*e_2_0_2 &
94986 
94987 
94988  )
94989  e_3_0_3 = zetb*( c1*e_2_0_2 &
94990 
94991 
94992  )
94993  e_0_2_2 = zeta*( &
94994  +c2*e_0_1_2&
94995  +2*e_1_1_2 &
94996  -2*e_0_0_2)
94997  e_0_1_3 = zetb*( &
94998  +c3*e_0_1_2&
94999  +2*e_1_1_2 &
95000  -4*e_0_1_1)
95001  e_1_2_2 = zeta*( c1*e_0_1_2 &
95002  +c2*e_1_1_2&
95003  +4*e_2_1_2 &
95004  -2*e_1_0_2)
95005  e_1_1_3 = zetb*( c1*e_0_1_2 &
95006  +c3*e_1_1_2&
95007  +4*e_2_1_2 &
95008  -4*e_1_1_1)
95009  e_2_2_2 = zeta*( c1*e_1_1_2 &
95010  +c2*e_2_1_2&
95011  +6*e_3_1_2 &
95012  -2*e_2_0_2)
95013  e_2_1_3 = zetb*( c1*e_1_1_2 &
95014  +c3*e_2_1_2&
95015  +6*e_3_1_2 &
95016  -4*e_2_1_1)
95017  e_3_2_2 = zeta*( c1*e_2_1_2 &
95018  +c2*e_3_1_2&
95019 
95020  )
95021  e_3_1_3 = zetb*( c1*e_2_1_2 &
95022  +c3*e_3_1_2&
95023 
95024  )
95025  e_4_2_2 = zeta*( c1*e_3_1_2 &
95026 
95027 
95028  )
95029  e_4_1_3 = zetb*( c1*e_3_1_2 &
95030 
95031 
95032  )
95033  e_0_3_2 = zeta*( &
95034  +c2*e_0_2_2&
95035  +2*e_1_2_2 &
95036  -4*e_0_1_2)
95037  e_0_2_3 = zetb*( &
95038  +c3*e_0_2_2&
95039  +2*e_1_2_2 &
95040  -4*e_0_2_1)
95041  e_1_3_2 = zeta*( c1*e_0_2_2 &
95042  +c2*e_1_2_2&
95043  +4*e_2_2_2 &
95044  -4*e_1_1_2)
95045  e_1_2_3 = zetb*( c1*e_0_2_2 &
95046  +c3*e_1_2_2&
95047  +4*e_2_2_2 &
95048  -4*e_1_2_1)
95049  e_2_3_2 = zeta*( c1*e_1_2_2 &
95050  +c2*e_2_2_2&
95051  +6*e_3_2_2 &
95052  -4*e_2_1_2)
95053  e_2_2_3 = zetb*( c1*e_1_2_2 &
95054  +c3*e_2_2_2&
95055  +6*e_3_2_2 &
95056  -4*e_2_2_1)
95057  e_3_3_2 = zeta*( c1*e_2_2_2 &
95058  +c2*e_3_2_2&
95059  +8*e_4_2_2 &
95060  -4*e_3_1_2)
95061  e_3_2_3 = zetb*( c1*e_2_2_2 &
95062  +c3*e_3_2_2&
95063  +8*e_4_2_2 &
95064  -4*e_3_2_1)
95065  e_4_3_2 = zeta*( c1*e_3_2_2 &
95066  +c2*e_4_2_2&
95067 
95068  )
95069  e_4_2_3 = zetb*( c1*e_3_2_2 &
95070  +c3*e_4_2_2&
95071 
95072  )
95073  e_5_3_2 = zeta*( c1*e_4_2_2 &
95074 
95075 
95076  )
95077  e_5_2_3 = zetb*( c1*e_4_2_2 &
95078 
95079 
95080  )
95081  e_0_3_3 = zetb*( &
95082  +c3*e_0_3_2&
95083  +2*e_1_3_2 &
95084  -4*e_0_3_1)
95085  e_1_3_3 = zetb*( c1*e_0_3_2 &
95086  +c3*e_1_3_2&
95087  +4*e_2_3_2 &
95088  -4*e_1_3_1)
95089  e_2_3_3 = zetb*( c1*e_1_3_2 &
95090  +c3*e_2_3_2&
95091  +6*e_3_3_2 &
95092  -4*e_2_3_1)
95093  e_3_3_3 = zetb*( c1*e_2_3_2 &
95094  +c3*e_3_3_2&
95095  +8*e_4_3_2 &
95096  -4*e_3_3_1)
95097  e_4_3_3 = zetb*( c1*e_3_3_2 &
95098  +c3*e_4_3_2&
95099  +10*e_5_3_2 &
95100  -4*e_4_3_1)
95101  e_5_3_3 = zetb*( c1*e_4_3_2 &
95102  +c3*e_5_3_2&
95103 
95104  )
95105  e_6_3_3 = zetb*( c1*e_5_3_2 &
95106 
95107 
95108  )
95109  e_0_1_3 = zeta*( &
95110  +c2*e_0_0_3&
95111  +2*e_1_0_3 &
95112  )
95113  e_0_0_4 = zetb*( &
95114  +c3*e_0_0_3&
95115  +2*e_1_0_3 &
95116  -6*e_0_0_2)
95117  e_1_1_3 = zeta*( c1*e_0_0_3 &
95118  +c2*e_1_0_3&
95119  +4*e_2_0_3 &
95120  )
95121  e_1_0_4 = zetb*( c1*e_0_0_3 &
95122  +c3*e_1_0_3&
95123  +4*e_2_0_3 &
95124  -6*e_1_0_2)
95125  e_2_1_3 = zeta*( c1*e_1_0_3 &
95126  +c2*e_2_0_3&
95127  +6*e_3_0_3 &
95128  )
95129  e_2_0_4 = zetb*( c1*e_1_0_3 &
95130  +c3*e_2_0_3&
95131  +6*e_3_0_3 &
95132  -6*e_2_0_2)
95133  e_3_1_3 = zeta*( c1*e_2_0_3 &
95134  +c2*e_3_0_3&
95135 
95136  )
95137  e_3_0_4 = zetb*( c1*e_2_0_3 &
95138  +c3*e_3_0_3&
95139 
95140  )
95141  e_4_1_3 = zeta*( c1*e_3_0_3 &
95142 
95143 
95144  )
95145  e_4_0_4 = zetb*( c1*e_3_0_3 &
95146 
95147 
95148  )
95149  e_0_2_3 = zeta*( &
95150  +c2*e_0_1_3&
95151  +2*e_1_1_3 &
95152  -2*e_0_0_3)
95153  e_0_1_4 = zetb*( &
95154  +c3*e_0_1_3&
95155  +2*e_1_1_3 &
95156  -6*e_0_1_2)
95157  e_1_2_3 = zeta*( c1*e_0_1_3 &
95158  +c2*e_1_1_3&
95159  +4*e_2_1_3 &
95160  -2*e_1_0_3)
95161  e_1_1_4 = zetb*( c1*e_0_1_3 &
95162  +c3*e_1_1_3&
95163  +4*e_2_1_3 &
95164  -6*e_1_1_2)
95165  e_2_2_3 = zeta*( c1*e_1_1_3 &
95166  +c2*e_2_1_3&
95167  +6*e_3_1_3 &
95168  -2*e_2_0_3)
95169  e_2_1_4 = zetb*( c1*e_1_1_3 &
95170  +c3*e_2_1_3&
95171  +6*e_3_1_3 &
95172  -6*e_2_1_2)
95173  e_3_2_3 = zeta*( c1*e_2_1_3 &
95174  +c2*e_3_1_3&
95175  +8*e_4_1_3 &
95176  -2*e_3_0_3)
95177  e_3_1_4 = zetb*( c1*e_2_1_3 &
95178  +c3*e_3_1_3&
95179  +8*e_4_1_3 &
95180  -6*e_3_1_2)
95181  e_4_2_3 = zeta*( c1*e_3_1_3 &
95182  +c2*e_4_1_3&
95183 
95184  )
95185  e_4_1_4 = zetb*( c1*e_3_1_3 &
95186  +c3*e_4_1_3&
95187 
95188  )
95189  e_5_2_3 = zeta*( c1*e_4_1_3 &
95190 
95191 
95192  )
95193  e_5_1_4 = zetb*( c1*e_4_1_3 &
95194 
95195 
95196  )
95197  e_0_3_3 = zeta*( &
95198  +c2*e_0_2_3&
95199  +2*e_1_2_3 &
95200  -4*e_0_1_3)
95201  e_0_2_4 = zetb*( &
95202  +c3*e_0_2_3&
95203  +2*e_1_2_3 &
95204  -6*e_0_2_2)
95205  e_1_3_3 = zeta*( c1*e_0_2_3 &
95206  +c2*e_1_2_3&
95207  +4*e_2_2_3 &
95208  -4*e_1_1_3)
95209  e_1_2_4 = zetb*( c1*e_0_2_3 &
95210  +c3*e_1_2_3&
95211  +4*e_2_2_3 &
95212  -6*e_1_2_2)
95213  e_2_3_3 = zeta*( c1*e_1_2_3 &
95214  +c2*e_2_2_3&
95215  +6*e_3_2_3 &
95216  -4*e_2_1_3)
95217  e_2_2_4 = zetb*( c1*e_1_2_3 &
95218  +c3*e_2_2_3&
95219  +6*e_3_2_3 &
95220  -6*e_2_2_2)
95221  e_3_3_3 = zeta*( c1*e_2_2_3 &
95222  +c2*e_3_2_3&
95223  +8*e_4_2_3 &
95224  -4*e_3_1_3)
95225  e_3_2_4 = zetb*( c1*e_2_2_3 &
95226  +c3*e_3_2_3&
95227  +8*e_4_2_3 &
95228  -6*e_3_2_2)
95229  e_4_3_3 = zeta*( c1*e_3_2_3 &
95230  +c2*e_4_2_3&
95231  +10*e_5_2_3 &
95232  -4*e_4_1_3)
95233  e_4_2_4 = zetb*( c1*e_3_2_3 &
95234  +c3*e_4_2_3&
95235  +10*e_5_2_3 &
95236  -6*e_4_2_2)
95237  e_5_3_3 = zeta*( c1*e_4_2_3 &
95238  +c2*e_5_2_3&
95239 
95240  )
95241  e_5_2_4 = zetb*( c1*e_4_2_3 &
95242  +c3*e_5_2_3&
95243 
95244  )
95245  e_6_3_3 = zeta*( c1*e_5_2_3 &
95246 
95247 
95248  )
95249  e_6_2_4 = zetb*( c1*e_5_2_3 &
95250 
95251 
95252  )
95253  e_0_3_4 = zetb*( &
95254  +c3*e_0_3_3&
95255  +2*e_1_3_3 &
95256  -6*e_0_3_2)
95257  e_1_3_4 = zetb*( c1*e_0_3_3 &
95258  +c3*e_1_3_3&
95259  +4*e_2_3_3 &
95260  -6*e_1_3_2)
95261  e_2_3_4 = zetb*( c1*e_1_3_3 &
95262  +c3*e_2_3_3&
95263  +6*e_3_3_3 &
95264  -6*e_2_3_2)
95265  e_3_3_4 = zetb*( c1*e_2_3_3 &
95266  +c3*e_3_3_3&
95267  +8*e_4_3_3 &
95268  -6*e_3_3_2)
95269  e_4_3_4 = zetb*( c1*e_3_3_3 &
95270  +c3*e_4_3_3&
95271  +10*e_5_3_3 &
95272  -6*e_4_3_2)
95273  e_5_3_4 = zetb*( c1*e_4_3_3 &
95274  +c3*e_5_3_3&
95275  +12*e_6_3_3 &
95276  -6*e_5_3_2)
95277  e_6_3_4 = zetb*( c1*e_5_3_3 &
95278  +c3*e_6_3_3&
95279 
95280  )
95281  e_7_3_4 = zetb*( c1*e_6_3_3 &
95282 
95283 
95284  )
95285  e_0_1_4 = zeta*( &
95286  +c2*e_0_0_4&
95287  +2*e_1_0_4 &
95288  )
95289  e_1_1_4 = zeta*( c1*e_0_0_4 &
95290  +c2*e_1_0_4&
95291  +4*e_2_0_4 &
95292  )
95293  e_2_1_4 = zeta*( c1*e_1_0_4 &
95294  +c2*e_2_0_4&
95295  +6*e_3_0_4 &
95296  )
95297  e_3_1_4 = zeta*( c1*e_2_0_4 &
95298  +c2*e_3_0_4&
95299  +8*e_4_0_4 &
95300  )
95301  e_4_1_4 = zeta*( c1*e_3_0_4 &
95302  +c2*e_4_0_4&
95303 
95304  )
95305  e_5_1_4 = zeta*( c1*e_4_0_4 &
95306 
95307 
95308  )
95309  e_0_2_4 = zeta*( &
95310  +c2*e_0_1_4&
95311  +2*e_1_1_4 &
95312  -2*e_0_0_4)
95313  e_1_2_4 = zeta*( c1*e_0_1_4 &
95314  +c2*e_1_1_4&
95315  +4*e_2_1_4 &
95316  -2*e_1_0_4)
95317  e_2_2_4 = zeta*( c1*e_1_1_4 &
95318  +c2*e_2_1_4&
95319  +6*e_3_1_4 &
95320  -2*e_2_0_4)
95321  e_3_2_4 = zeta*( c1*e_2_1_4 &
95322  +c2*e_3_1_4&
95323  +8*e_4_1_4 &
95324  -2*e_3_0_4)
95325  e_4_2_4 = zeta*( c1*e_3_1_4 &
95326  +c2*e_4_1_4&
95327  +10*e_5_1_4 &
95328  -2*e_4_0_4)
95329  e_5_2_4 = zeta*( c1*e_4_1_4 &
95330  +c2*e_5_1_4&
95331 
95332  )
95333  e_6_2_4 = zeta*( c1*e_5_1_4 &
95334 
95335 
95336  )
95337  e_0_3_4 = zeta*( &
95338  +c2*e_0_2_4&
95339  +2*e_1_2_4 &
95340  -4*e_0_1_4)
95341  e_1_3_4 = zeta*( c1*e_0_2_4 &
95342  +c2*e_1_2_4&
95343  +4*e_2_2_4 &
95344  -4*e_1_1_4)
95345  e_2_3_4 = zeta*( c1*e_1_2_4 &
95346  +c2*e_2_2_4&
95347  +6*e_3_2_4 &
95348  -4*e_2_1_4)
95349  e_3_3_4 = zeta*( c1*e_2_2_4 &
95350  +c2*e_3_2_4&
95351  +8*e_4_2_4 &
95352  -4*e_3_1_4)
95353  e_4_3_4 = zeta*( c1*e_3_2_4 &
95354  +c2*e_4_2_4&
95355  +10*e_5_2_4 &
95356  -4*e_4_1_4)
95357  e_5_3_4 = zeta*( c1*e_4_2_4 &
95358  +c2*e_5_2_4&
95359  +12*e_6_2_4 &
95360  -4*e_5_1_4)
95361  e_6_3_4 = zeta*( c1*e_5_2_4 &
95362  +c2*e_6_2_4&
95363 
95364  )
95365  e_7_3_4 = zeta*( c1*e_6_2_4 &
95366 
95367 
95368  )
95369 
95370  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
95371  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
95372  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
95373  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
95374  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
95375  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
95376  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
95377  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
95378  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
95379  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
95380  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
95381  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
95382  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
95383  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
95384  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
95385  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
95386  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
95387  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
95388  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
95389  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
95390  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
95391  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
95392  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
95393  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
95394  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
95395  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
95396  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
95397  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
95398  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
95399  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
95400  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
95401  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
95402  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
95403  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
95404  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
95405  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
95406  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
95407  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
95408  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
95409  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
95410  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
95411  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
95412  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
95413  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
95414  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
95415  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
95416  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
95417  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
95418  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
95419  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
95420  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
95421  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
95422  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
95423  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
95424  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
95425  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
95426  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
95427  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
95428  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
95429  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
95430  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
95431  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
95432  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
95433  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
95434  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
95435  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
95436  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
95437  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
95438  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
95439  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
95440  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
95441  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
95442  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
95443  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
95444  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
95445  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
95446  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
95447  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
95448  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
95449  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
95450  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
95451  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
95452  s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
95453  s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
95454  s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
95455  s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
95456  s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
95457  s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
95458  s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
95459  s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
95460  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
95461  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
95462  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
95463  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
95464  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
95465  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
95466  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
95467  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
95468  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
95469  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
95470  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
95471  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
95472  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
95473  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
95474  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
95475  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
95476  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
95477  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
95478  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
95479  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
95480  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
95481  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
95482  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
95483  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
95484  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
95485  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
95486  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
95487  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
95488  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
95489  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
95490  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
95491  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
95492  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
95493  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
95494  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
95495  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
95496  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
95497  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
95498  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
95499  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
95500  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
95501  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
95502  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
95503  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
95504  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
95505  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
95506  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
95507  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
95508  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
95509  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
95510  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
95511  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
95512  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
95513  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
95514  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
95515  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
95516  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
95517  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
95518  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
95519  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
95520  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
95521  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
95522  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
95523  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
95524  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
95525  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
95526  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
95527  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
95528  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
95529  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
95530  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
95531  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
95532  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
95533  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
95534  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
95535  s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
95536  s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
95537  s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
95538  s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
95539  s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
95540  s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
95541  s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
95542  s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
95543  s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
95544  s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
95545  s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
95546  s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
95547  s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
95548  s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
95549  s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
95550  r1 = r1 + dr
95551  END DO
95552 
95553  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
95554  END SUBROUTINE
95555  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_4_2_exp_1 ( &
95556  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
95557  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
95558  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
95559  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
95560  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
95561  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
95562  r_pow_t, r_tmp, rr1_delta, rr2_delta
95563 
95564  REAL(kind=dp) :: c1, c2, c3
95565  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
95566  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
95567  & s_r_t2_9
95568  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
95569  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
95570  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
95571  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
95572  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
95573  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
95574  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
95575  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
95576  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
95577  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
95578  & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3,&
95579  & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
95580  & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4
95581 
95582  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
95583 
95584  dr = lgth
95585  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
95586 
95587  s_r(:, :, :) = 0.0_dp
95588 
95589  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
95590 
95591  h_to_c_0_0 = sqrt(alpha/pi)
95592 
95593  h_to_c_0_1 = 0.0_dp
95594  h_to_c_1_1 = +2*alpha*h_to_c_0_0
95595  h_to_c_0_2 = -1*h_to_c_1_1
95596  h_to_c_1_2 = +2*alpha*h_to_c_0_1
95597  h_to_c_2_2 = +2*alpha*h_to_c_1_1
95598  h_to_c_0_3 = -1*h_to_c_1_2
95599  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
95600  h_to_c_2_3 = +2*alpha*h_to_c_1_2
95601  h_to_c_3_3 = +2*alpha*h_to_c_2_2
95602  h_to_c_0_4 = -1*h_to_c_1_3
95603  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
95604  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
95605  h_to_c_3_4 = +2*alpha*h_to_c_2_3
95606  h_to_c_4_4 = +2*alpha*h_to_c_3_3
95607  h_to_c_0_5 = -1*h_to_c_1_4
95608  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
95609  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
95610  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
95611  h_to_c_4_5 = +2*alpha*h_to_c_3_4
95612  h_to_c_5_5 = +2*alpha*h_to_c_4_4
95613  h_to_c_0_6 = -1*h_to_c_1_5
95614  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
95615  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
95616  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
95617  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
95618  h_to_c_5_6 = +2*alpha*h_to_c_4_5
95619  h_to_c_6_6 = +2*alpha*h_to_c_5_5
95620  h_to_c_0_7 = -1*h_to_c_1_6
95621  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
95622  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
95623  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
95624  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
95625  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
95626  h_to_c_6_7 = +2*alpha*h_to_c_5_6
95627  h_to_c_7_7 = +2*alpha*h_to_c_6_6
95628  h_to_c_0_8 = -1*h_to_c_1_7
95629  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
95630  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
95631  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
95632  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
95633  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
95634  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
95635  h_to_c_7_8 = +2*alpha*h_to_c_6_7
95636  h_to_c_8_8 = +2*alpha*h_to_c_7_7
95637  h_to_c_0_9 = -1*h_to_c_1_8
95638  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
95639  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
95640  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
95641  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
95642  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
95643  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
95644  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
95645  h_to_c_8_9 = +2*alpha*h_to_c_7_8
95646  h_to_c_9_9 = +2*alpha*h_to_c_8_8
95647 
95648  exp_drsq = exp(-alpha*dr*dr)
95649  exp_2drsq = exp_drsq*exp_drsq
95650 
95651  rr1_delta = (ra - rb)/dr
95652 
95653  rr1_l = ceiling(-r_c(1) + rr1_delta)
95654  rr1_r = floor(r_c(1) + rr1_delta)
95655 
95656  r1 = rr1_l*dr
95657 
95658  alpha_e = zeta*zetb/(zeta + zetb)
95659 
95660  DO rr1 = rr1_l, rr1_r
95661  s_r_t_0 = 0.0_dp
95662  s_r_t2_0 = 0.0_dp
95663  s_r_t_1 = 0.0_dp
95664  s_r_t2_1 = 0.0_dp
95665  s_r_t_2 = 0.0_dp
95666  s_r_t2_2 = 0.0_dp
95667  s_r_t_3 = 0.0_dp
95668  s_r_t2_3 = 0.0_dp
95669  s_r_t_4 = 0.0_dp
95670  s_r_t2_4 = 0.0_dp
95671  s_r_t_5 = 0.0_dp
95672  s_r_t2_5 = 0.0_dp
95673  s_r_t_6 = 0.0_dp
95674  s_r_t2_6 = 0.0_dp
95675  s_r_t_7 = 0.0_dp
95676  s_r_t2_7 = 0.0_dp
95677  s_r_t_8 = 0.0_dp
95678  s_r_t2_8 = 0.0_dp
95679  s_r_t_9 = 0.0_dp
95680  s_r_t2_9 = 0.0_dp
95681  r_tmp = r_offset + r1*zeta/(zeta + zetb)
95682  rr2_delta = -r_tmp/dr
95683 
95684  rr2_l = ceiling(-r_c(2) + rr2_delta)
95685  rr2_r = floor(r_c(2) + rr2_delta)
95686 
95687  r = r_tmp + (rr2_l)*dr
95688 
95689  exp2_2rdr = exp(-2*alpha*r*dr)
95690  exp2_rsq = exp(-alpha*r*r)
95691 
95692  DO rr2 = rr2_l, rr2_r
95693  r_pow_t = 1.0_dp
95694  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
95695  r_pow_t = r_pow_t*r
95696  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
95697  r_pow_t = r_pow_t*r
95698  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
95699  r_pow_t = r_pow_t*r
95700  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
95701  r_pow_t = r_pow_t*r
95702  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
95703  r_pow_t = r_pow_t*r
95704  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
95705  r_pow_t = r_pow_t*r
95706  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
95707  r_pow_t = r_pow_t*r
95708  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
95709  r_pow_t = r_pow_t*r
95710  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
95711  r_pow_t = r_pow_t*r
95712  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
95713 
95714  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
95715  exp2_2rdr = exp2_2rdr*exp_2drsq
95716  r = r + dr
95717  END DO
95718 
95719  ! C --> H
95720  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
95721  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
95722  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
95723  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
95724  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
95725  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
95726  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
95727  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
95728  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
95729  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
95730  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
95731  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
95732  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
95733  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
95734  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
95735  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
95736  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
95737  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
95738  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
95739  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
95740  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
95741  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
95742  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
95743  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
95744  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
95745  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
95746  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
95747  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
95748  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
95749  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
95750  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
95751  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
95752  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
95753  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
95754  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
95755  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
95756  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
95757  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
95758  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
95759  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
95760  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
95761  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
95762  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
95763  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
95764  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
95765  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
95766  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
95767  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
95768  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
95769  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
95770  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
95771  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
95772  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
95773  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
95774  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
95775 
95776  ! H --> HH
95777  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
95778 
95779  c1 = 1.0_dp/(zeta + zetb)
95780  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
95781  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
95782 
95783  e_0_1_0 = zeta*( &
95784  +c2*e_0_0_0&
95785 
95786  )
95787  e_0_0_1 = zetb*( &
95788  +c3*e_0_0_0&
95789 
95790  )
95791  e_1_1_0 = zeta*( c1*e_0_0_0 &
95792 
95793 
95794  )
95795  e_1_0_1 = zetb*( c1*e_0_0_0 &
95796 
95797 
95798  )
95799  e_0_2_0 = zeta*( &
95800  +c2*e_0_1_0&
95801  +2*e_1_1_0 &
95802  -2*e_0_0_0)
95803  e_0_1_1 = zetb*( &
95804  +c3*e_0_1_0&
95805  +2*e_1_1_0 &
95806  )
95807  e_1_2_0 = zeta*( c1*e_0_1_0 &
95808  +c2*e_1_1_0&
95809 
95810  )
95811  e_1_1_1 = zetb*( c1*e_0_1_0 &
95812  +c3*e_1_1_0&
95813 
95814  )
95815  e_2_2_0 = zeta*( c1*e_1_1_0 &
95816 
95817 
95818  )
95819  e_2_1_1 = zetb*( c1*e_1_1_0 &
95820 
95821 
95822  )
95823  e_0_3_0 = zeta*( &
95824  +c2*e_0_2_0&
95825  +2*e_1_2_0 &
95826  -4*e_0_1_0)
95827  e_0_2_1 = zetb*( &
95828  +c3*e_0_2_0&
95829  +2*e_1_2_0 &
95830  )
95831  e_1_3_0 = zeta*( c1*e_0_2_0 &
95832  +c2*e_1_2_0&
95833  +4*e_2_2_0 &
95834  -4*e_1_1_0)
95835  e_1_2_1 = zetb*( c1*e_0_2_0 &
95836  +c3*e_1_2_0&
95837  +4*e_2_2_0 &
95838  )
95839  e_2_3_0 = zeta*( c1*e_1_2_0 &
95840  +c2*e_2_2_0&
95841 
95842  )
95843  e_2_2_1 = zetb*( c1*e_1_2_0 &
95844  +c3*e_2_2_0&
95845 
95846  )
95847  e_3_3_0 = zeta*( c1*e_2_2_0 &
95848 
95849 
95850  )
95851  e_3_2_1 = zetb*( c1*e_2_2_0 &
95852 
95853 
95854  )
95855  e_0_3_1 = zetb*( &
95856  +c3*e_0_3_0&
95857  +2*e_1_3_0 &
95858  )
95859  e_1_3_1 = zetb*( c1*e_0_3_0 &
95860  +c3*e_1_3_0&
95861  +4*e_2_3_0 &
95862  )
95863  e_2_3_1 = zetb*( c1*e_1_3_0 &
95864  +c3*e_2_3_0&
95865  +6*e_3_3_0 &
95866  )
95867  e_3_3_1 = zetb*( c1*e_2_3_0 &
95868  +c3*e_3_3_0&
95869 
95870  )
95871  e_4_3_1 = zetb*( c1*e_3_3_0 &
95872 
95873 
95874  )
95875  e_0_1_1 = zeta*( &
95876  +c2*e_0_0_1&
95877  +2*e_1_0_1 &
95878  )
95879  e_0_0_2 = zetb*( &
95880  +c3*e_0_0_1&
95881  +2*e_1_0_1 &
95882  -2*e_0_0_0)
95883  e_1_1_1 = zeta*( c1*e_0_0_1 &
95884  +c2*e_1_0_1&
95885 
95886  )
95887  e_1_0_2 = zetb*( c1*e_0_0_1 &
95888  +c3*e_1_0_1&
95889 
95890  )
95891  e_2_1_1 = zeta*( c1*e_1_0_1 &
95892 
95893 
95894  )
95895  e_2_0_2 = zetb*( c1*e_1_0_1 &
95896 
95897 
95898  )
95899  e_0_2_1 = zeta*( &
95900  +c2*e_0_1_1&
95901  +2*e_1_1_1 &
95902  -2*e_0_0_1)
95903  e_0_1_2 = zetb*( &
95904  +c3*e_0_1_1&
95905  +2*e_1_1_1 &
95906  -2*e_0_1_0)
95907  e_1_2_1 = zeta*( c1*e_0_1_1 &
95908  +c2*e_1_1_1&
95909  +4*e_2_1_1 &
95910  -2*e_1_0_1)
95911  e_1_1_2 = zetb*( c1*e_0_1_1 &
95912  +c3*e_1_1_1&
95913  +4*e_2_1_1 &
95914  -2*e_1_1_0)
95915  e_2_2_1 = zeta*( c1*e_1_1_1 &
95916  +c2*e_2_1_1&
95917 
95918  )
95919  e_2_1_2 = zetb*( c1*e_1_1_1 &
95920  +c3*e_2_1_1&
95921 
95922  )
95923  e_3_2_1 = zeta*( c1*e_2_1_1 &
95924 
95925 
95926  )
95927  e_3_1_2 = zetb*( c1*e_2_1_1 &
95928 
95929 
95930  )
95931  e_0_3_1 = zeta*( &
95932  +c2*e_0_2_1&
95933  +2*e_1_2_1 &
95934  -4*e_0_1_1)
95935  e_0_2_2 = zetb*( &
95936  +c3*e_0_2_1&
95937  +2*e_1_2_1 &
95938  -2*e_0_2_0)
95939  e_1_3_1 = zeta*( c1*e_0_2_1 &
95940  +c2*e_1_2_1&
95941  +4*e_2_2_1 &
95942  -4*e_1_1_1)
95943  e_1_2_2 = zetb*( c1*e_0_2_1 &
95944  +c3*e_1_2_1&
95945  +4*e_2_2_1 &
95946  -2*e_1_2_0)
95947  e_2_3_1 = zeta*( c1*e_1_2_1 &
95948  +c2*e_2_2_1&
95949  +6*e_3_2_1 &
95950  -4*e_2_1_1)
95951  e_2_2_2 = zetb*( c1*e_1_2_1 &
95952  +c3*e_2_2_1&
95953  +6*e_3_2_1 &
95954  -2*e_2_2_0)
95955  e_3_3_1 = zeta*( c1*e_2_2_1 &
95956  +c2*e_3_2_1&
95957 
95958  )
95959  e_3_2_2 = zetb*( c1*e_2_2_1 &
95960  +c3*e_3_2_1&
95961 
95962  )
95963  e_4_3_1 = zeta*( c1*e_3_2_1 &
95964 
95965 
95966  )
95967  e_4_2_2 = zetb*( c1*e_3_2_1 &
95968 
95969 
95970  )
95971  e_0_3_2 = zetb*( &
95972  +c3*e_0_3_1&
95973  +2*e_1_3_1 &
95974  -2*e_0_3_0)
95975  e_1_3_2 = zetb*( c1*e_0_3_1 &
95976  +c3*e_1_3_1&
95977  +4*e_2_3_1 &
95978  -2*e_1_3_0)
95979  e_2_3_2 = zetb*( c1*e_1_3_1 &
95980  +c3*e_2_3_1&
95981  +6*e_3_3_1 &
95982  -2*e_2_3_0)
95983  e_3_3_2 = zetb*( c1*e_2_3_1 &
95984  +c3*e_3_3_1&
95985  +8*e_4_3_1 &
95986  -2*e_3_3_0)
95987  e_4_3_2 = zetb*( c1*e_3_3_1 &
95988  +c3*e_4_3_1&
95989 
95990  )
95991  e_5_3_2 = zetb*( c1*e_4_3_1 &
95992 
95993 
95994  )
95995  e_0_1_2 = zeta*( &
95996  +c2*e_0_0_2&
95997  +2*e_1_0_2 &
95998  )
95999  e_0_0_3 = zetb*( &
96000  +c3*e_0_0_2&
96001  +2*e_1_0_2 &
96002  -4*e_0_0_1)
96003  e_1_1_2 = zeta*( c1*e_0_0_2 &
96004  +c2*e_1_0_2&
96005  +4*e_2_0_2 &
96006  )
96007  e_1_0_3 = zetb*( c1*e_0_0_2 &
96008  +c3*e_1_0_2&
96009  +4*e_2_0_2 &
96010  -4*e_1_0_1)
96011  e_2_1_2 = zeta*( c1*e_1_0_2 &
96012  +c2*e_2_0_2&
96013 
96014  )
96015  e_2_0_3 = zetb*( c1*e_1_0_2 &
96016  +c3*e_2_0_2&
96017 
96018  )
96019  e_3_1_2 = zeta*( c1*e_2_0_2 &
96020 
96021 
96022  )
96023  e_3_0_3 = zetb*( c1*e_2_0_2 &
96024 
96025 
96026  )
96027  e_0_2_2 = zeta*( &
96028  +c2*e_0_1_2&
96029  +2*e_1_1_2 &
96030  -2*e_0_0_2)
96031  e_0_1_3 = zetb*( &
96032  +c3*e_0_1_2&
96033  +2*e_1_1_2 &
96034  -4*e_0_1_1)
96035  e_1_2_2 = zeta*( c1*e_0_1_2 &
96036  +c2*e_1_1_2&
96037  +4*e_2_1_2 &
96038  -2*e_1_0_2)
96039  e_1_1_3 = zetb*( c1*e_0_1_2 &
96040  +c3*e_1_1_2&
96041  +4*e_2_1_2 &
96042  -4*e_1_1_1)
96043  e_2_2_2 = zeta*( c1*e_1_1_2 &
96044  +c2*e_2_1_2&
96045  +6*e_3_1_2 &
96046  -2*e_2_0_2)
96047  e_2_1_3 = zetb*( c1*e_1_1_2 &
96048  +c3*e_2_1_2&
96049  +6*e_3_1_2 &
96050  -4*e_2_1_1)
96051  e_3_2_2 = zeta*( c1*e_2_1_2 &
96052  +c2*e_3_1_2&
96053 
96054  )
96055  e_3_1_3 = zetb*( c1*e_2_1_2 &
96056  +c3*e_3_1_2&
96057 
96058  )
96059  e_4_2_2 = zeta*( c1*e_3_1_2 &
96060 
96061 
96062  )
96063  e_4_1_3 = zetb*( c1*e_3_1_2 &
96064 
96065 
96066  )
96067  e_0_3_2 = zeta*( &
96068  +c2*e_0_2_2&
96069  +2*e_1_2_2 &
96070  -4*e_0_1_2)
96071  e_0_2_3 = zetb*( &
96072  +c3*e_0_2_2&
96073  +2*e_1_2_2 &
96074  -4*e_0_2_1)
96075  e_1_3_2 = zeta*( c1*e_0_2_2 &
96076  +c2*e_1_2_2&
96077  +4*e_2_2_2 &
96078  -4*e_1_1_2)
96079  e_1_2_3 = zetb*( c1*e_0_2_2 &
96080  +c3*e_1_2_2&
96081  +4*e_2_2_2 &
96082  -4*e_1_2_1)
96083  e_2_3_2 = zeta*( c1*e_1_2_2 &
96084  +c2*e_2_2_2&
96085  +6*e_3_2_2 &
96086  -4*e_2_1_2)
96087  e_2_2_3 = zetb*( c1*e_1_2_2 &
96088  +c3*e_2_2_2&
96089  +6*e_3_2_2 &
96090  -4*e_2_2_1)
96091  e_3_3_2 = zeta*( c1*e_2_2_2 &
96092  +c2*e_3_2_2&
96093  +8*e_4_2_2 &
96094  -4*e_3_1_2)
96095  e_3_2_3 = zetb*( c1*e_2_2_2 &
96096  +c3*e_3_2_2&
96097  +8*e_4_2_2 &
96098  -4*e_3_2_1)
96099  e_4_3_2 = zeta*( c1*e_3_2_2 &
96100  +c2*e_4_2_2&
96101 
96102  )
96103  e_4_2_3 = zetb*( c1*e_3_2_2 &
96104  +c3*e_4_2_2&
96105 
96106  )
96107  e_5_3_2 = zeta*( c1*e_4_2_2 &
96108 
96109 
96110  )
96111  e_5_2_3 = zetb*( c1*e_4_2_2 &
96112 
96113 
96114  )
96115  e_0_3_3 = zetb*( &
96116  +c3*e_0_3_2&
96117  +2*e_1_3_2 &
96118  -4*e_0_3_1)
96119  e_1_3_3 = zetb*( c1*e_0_3_2 &
96120  +c3*e_1_3_2&
96121  +4*e_2_3_2 &
96122  -4*e_1_3_1)
96123  e_2_3_3 = zetb*( c1*e_1_3_2 &
96124  +c3*e_2_3_2&
96125  +6*e_3_3_2 &
96126  -4*e_2_3_1)
96127  e_3_3_3 = zetb*( c1*e_2_3_2 &
96128  +c3*e_3_3_2&
96129  +8*e_4_3_2 &
96130  -4*e_3_3_1)
96131  e_4_3_3 = zetb*( c1*e_3_3_2 &
96132  +c3*e_4_3_2&
96133  +10*e_5_3_2 &
96134  -4*e_4_3_1)
96135  e_5_3_3 = zetb*( c1*e_4_3_2 &
96136  +c3*e_5_3_2&
96137 
96138  )
96139  e_6_3_3 = zetb*( c1*e_5_3_2 &
96140 
96141 
96142  )
96143  e_0_1_3 = zeta*( &
96144  +c2*e_0_0_3&
96145  +2*e_1_0_3 &
96146  )
96147  e_0_0_4 = zetb*( &
96148  +c3*e_0_0_3&
96149  +2*e_1_0_3 &
96150  -6*e_0_0_2)
96151  e_1_1_3 = zeta*( c1*e_0_0_3 &
96152  +c2*e_1_0_3&
96153  +4*e_2_0_3 &
96154  )
96155  e_1_0_4 = zetb*( c1*e_0_0_3 &
96156  +c3*e_1_0_3&
96157  +4*e_2_0_3 &
96158  -6*e_1_0_2)
96159  e_2_1_3 = zeta*( c1*e_1_0_3 &
96160  +c2*e_2_0_3&
96161  +6*e_3_0_3 &
96162  )
96163  e_2_0_4 = zetb*( c1*e_1_0_3 &
96164  +c3*e_2_0_3&
96165  +6*e_3_0_3 &
96166  -6*e_2_0_2)
96167  e_3_1_3 = zeta*( c1*e_2_0_3 &
96168  +c2*e_3_0_3&
96169 
96170  )
96171  e_3_0_4 = zetb*( c1*e_2_0_3 &
96172  +c3*e_3_0_3&
96173 
96174  )
96175  e_4_1_3 = zeta*( c1*e_3_0_3 &
96176 
96177 
96178  )
96179  e_4_0_4 = zetb*( c1*e_3_0_3 &
96180 
96181 
96182  )
96183  e_0_2_3 = zeta*( &
96184  +c2*e_0_1_3&
96185  +2*e_1_1_3 &
96186  -2*e_0_0_3)
96187  e_0_1_4 = zetb*( &
96188  +c3*e_0_1_3&
96189  +2*e_1_1_3 &
96190  -6*e_0_1_2)
96191  e_1_2_3 = zeta*( c1*e_0_1_3 &
96192  +c2*e_1_1_3&
96193  +4*e_2_1_3 &
96194  -2*e_1_0_3)
96195  e_1_1_4 = zetb*( c1*e_0_1_3 &
96196  +c3*e_1_1_3&
96197  +4*e_2_1_3 &
96198  -6*e_1_1_2)
96199  e_2_2_3 = zeta*( c1*e_1_1_3 &
96200  +c2*e_2_1_3&
96201  +6*e_3_1_3 &
96202  -2*e_2_0_3)
96203  e_2_1_4 = zetb*( c1*e_1_1_3 &
96204  +c3*e_2_1_3&
96205  +6*e_3_1_3 &
96206  -6*e_2_1_2)
96207  e_3_2_3 = zeta*( c1*e_2_1_3 &
96208  +c2*e_3_1_3&
96209  +8*e_4_1_3 &
96210  -2*e_3_0_3)
96211  e_3_1_4 = zetb*( c1*e_2_1_3 &
96212  +c3*e_3_1_3&
96213  +8*e_4_1_3 &
96214  -6*e_3_1_2)
96215  e_4_2_3 = zeta*( c1*e_3_1_3 &
96216  +c2*e_4_1_3&
96217 
96218  )
96219  e_4_1_4 = zetb*( c1*e_3_1_3 &
96220  +c3*e_4_1_3&
96221 
96222  )
96223  e_5_2_3 = zeta*( c1*e_4_1_3 &
96224 
96225 
96226  )
96227  e_5_1_4 = zetb*( c1*e_4_1_3 &
96228 
96229 
96230  )
96231  e_0_3_3 = zeta*( &
96232  +c2*e_0_2_3&
96233  +2*e_1_2_3 &
96234  -4*e_0_1_3)
96235  e_0_2_4 = zetb*( &
96236  +c3*e_0_2_3&
96237  +2*e_1_2_3 &
96238  -6*e_0_2_2)
96239  e_1_3_3 = zeta*( c1*e_0_2_3 &
96240  +c2*e_1_2_3&
96241  +4*e_2_2_3 &
96242  -4*e_1_1_3)
96243  e_1_2_4 = zetb*( c1*e_0_2_3 &
96244  +c3*e_1_2_3&
96245  +4*e_2_2_3 &
96246  -6*e_1_2_2)
96247  e_2_3_3 = zeta*( c1*e_1_2_3 &
96248  +c2*e_2_2_3&
96249  +6*e_3_2_3 &
96250  -4*e_2_1_3)
96251  e_2_2_4 = zetb*( c1*e_1_2_3 &
96252  +c3*e_2_2_3&
96253  +6*e_3_2_3 &
96254  -6*e_2_2_2)
96255  e_3_3_3 = zeta*( c1*e_2_2_3 &
96256  +c2*e_3_2_3&
96257  +8*e_4_2_3 &
96258  -4*e_3_1_3)
96259  e_3_2_4 = zetb*( c1*e_2_2_3 &
96260  +c3*e_3_2_3&
96261  +8*e_4_2_3 &
96262  -6*e_3_2_2)
96263  e_4_3_3 = zeta*( c1*e_3_2_3 &
96264  +c2*e_4_2_3&
96265  +10*e_5_2_3 &
96266  -4*e_4_1_3)
96267  e_4_2_4 = zetb*( c1*e_3_2_3 &
96268  +c3*e_4_2_3&
96269  +10*e_5_2_3 &
96270  -6*e_4_2_2)
96271  e_5_3_3 = zeta*( c1*e_4_2_3 &
96272  +c2*e_5_2_3&
96273 
96274  )
96275  e_5_2_4 = zetb*( c1*e_4_2_3 &
96276  +c3*e_5_2_3&
96277 
96278  )
96279  e_6_3_3 = zeta*( c1*e_5_2_3 &
96280 
96281 
96282  )
96283  e_6_2_4 = zetb*( c1*e_5_2_3 &
96284 
96285 
96286  )
96287  e_0_3_4 = zetb*( &
96288  +c3*e_0_3_3&
96289  +2*e_1_3_3 &
96290  -6*e_0_3_2)
96291  e_1_3_4 = zetb*( c1*e_0_3_3 &
96292  +c3*e_1_3_3&
96293  +4*e_2_3_3 &
96294  -6*e_1_3_2)
96295  e_2_3_4 = zetb*( c1*e_1_3_3 &
96296  +c3*e_2_3_3&
96297  +6*e_3_3_3 &
96298  -6*e_2_3_2)
96299  e_3_3_4 = zetb*( c1*e_2_3_3 &
96300  +c3*e_3_3_3&
96301  +8*e_4_3_3 &
96302  -6*e_3_3_2)
96303  e_4_3_4 = zetb*( c1*e_3_3_3 &
96304  +c3*e_4_3_3&
96305  +10*e_5_3_3 &
96306  -6*e_4_3_2)
96307  e_5_3_4 = zetb*( c1*e_4_3_3 &
96308  +c3*e_5_3_3&
96309  +12*e_6_3_3 &
96310  -6*e_5_3_2)
96311  e_6_3_4 = zetb*( c1*e_5_3_3 &
96312  +c3*e_6_3_3&
96313 
96314  )
96315  e_7_3_4 = zetb*( c1*e_6_3_3 &
96316 
96317 
96318  )
96319  e_0_1_4 = zeta*( &
96320  +c2*e_0_0_4&
96321  +2*e_1_0_4 &
96322  )
96323  e_1_1_4 = zeta*( c1*e_0_0_4 &
96324  +c2*e_1_0_4&
96325  +4*e_2_0_4 &
96326  )
96327  e_2_1_4 = zeta*( c1*e_1_0_4 &
96328  +c2*e_2_0_4&
96329  +6*e_3_0_4 &
96330  )
96331  e_3_1_4 = zeta*( c1*e_2_0_4 &
96332  +c2*e_3_0_4&
96333  +8*e_4_0_4 &
96334  )
96335  e_4_1_4 = zeta*( c1*e_3_0_4 &
96336  +c2*e_4_0_4&
96337 
96338  )
96339  e_5_1_4 = zeta*( c1*e_4_0_4 &
96340 
96341 
96342  )
96343  e_0_2_4 = zeta*( &
96344  +c2*e_0_1_4&
96345  +2*e_1_1_4 &
96346  -2*e_0_0_4)
96347  e_1_2_4 = zeta*( c1*e_0_1_4 &
96348  +c2*e_1_1_4&
96349  +4*e_2_1_4 &
96350  -2*e_1_0_4)
96351  e_2_2_4 = zeta*( c1*e_1_1_4 &
96352  +c2*e_2_1_4&
96353  +6*e_3_1_4 &
96354  -2*e_2_0_4)
96355  e_3_2_4 = zeta*( c1*e_2_1_4 &
96356  +c2*e_3_1_4&
96357  +8*e_4_1_4 &
96358  -2*e_3_0_4)
96359  e_4_2_4 = zeta*( c1*e_3_1_4 &
96360  +c2*e_4_1_4&
96361  +10*e_5_1_4 &
96362  -2*e_4_0_4)
96363  e_5_2_4 = zeta*( c1*e_4_1_4 &
96364  +c2*e_5_1_4&
96365 
96366  )
96367  e_6_2_4 = zeta*( c1*e_5_1_4 &
96368 
96369 
96370  )
96371  e_0_3_4 = zeta*( &
96372  +c2*e_0_2_4&
96373  +2*e_1_2_4 &
96374  -4*e_0_1_4)
96375  e_1_3_4 = zeta*( c1*e_0_2_4 &
96376  +c2*e_1_2_4&
96377  +4*e_2_2_4 &
96378  -4*e_1_1_4)
96379  e_2_3_4 = zeta*( c1*e_1_2_4 &
96380  +c2*e_2_2_4&
96381  +6*e_3_2_4 &
96382  -4*e_2_1_4)
96383  e_3_3_4 = zeta*( c1*e_2_2_4 &
96384  +c2*e_3_2_4&
96385  +8*e_4_2_4 &
96386  -4*e_3_1_4)
96387  e_4_3_4 = zeta*( c1*e_3_2_4 &
96388  +c2*e_4_2_4&
96389  +10*e_5_2_4 &
96390  -4*e_4_1_4)
96391  e_5_3_4 = zeta*( c1*e_4_2_4 &
96392  +c2*e_5_2_4&
96393  +12*e_6_2_4 &
96394  -4*e_5_1_4)
96395  e_6_3_4 = zeta*( c1*e_5_2_4 &
96396  +c2*e_6_2_4&
96397 
96398  )
96399  e_7_3_4 = zeta*( c1*e_6_2_4 &
96400 
96401 
96402  )
96403 
96404  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
96405  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
96406  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
96407  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
96408  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
96409  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
96410  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
96411  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
96412  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
96413  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
96414  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
96415  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
96416  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
96417  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
96418  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
96419  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
96420  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
96421  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
96422  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
96423  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
96424  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
96425  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
96426  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
96427  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
96428  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
96429  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
96430  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
96431  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
96432  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
96433  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
96434  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
96435  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
96436  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
96437  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
96438  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
96439  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
96440  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
96441  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
96442  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
96443  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
96444  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
96445  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
96446  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
96447  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
96448  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
96449  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
96450  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
96451  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
96452  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
96453  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
96454  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
96455  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
96456  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
96457  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
96458  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
96459  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
96460  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
96461  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
96462  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
96463  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
96464  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
96465  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
96466  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
96467  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
96468  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
96469  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
96470  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
96471  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
96472  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
96473  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
96474  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
96475  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
96476  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
96477  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
96478  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
96479  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
96480  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
96481  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
96482  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
96483  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
96484  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
96485  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
96486  s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
96487  s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
96488  s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
96489  s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
96490  s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
96491  s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
96492  s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
96493  s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
96494  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
96495  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
96496  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
96497  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
96498  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
96499  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
96500  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
96501  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
96502  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
96503  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
96504  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
96505  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
96506  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
96507  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
96508  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
96509  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
96510  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
96511  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
96512  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
96513  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
96514  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
96515  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
96516  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
96517  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
96518  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
96519  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
96520  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
96521  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
96522  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
96523  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
96524  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
96525  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
96526  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
96527  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
96528  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
96529  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
96530  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
96531  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
96532  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
96533  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
96534  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
96535  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
96536  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
96537  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
96538  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
96539  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
96540  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
96541  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
96542  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
96543  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
96544  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
96545  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
96546  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
96547  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
96548  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
96549  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
96550  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
96551  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
96552  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
96553  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
96554  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
96555  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
96556  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
96557  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
96558  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
96559  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
96560  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
96561  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
96562  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
96563  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
96564  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
96565  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
96566  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
96567  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
96568  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
96569  s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
96570  s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
96571  s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
96572  s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
96573  s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
96574  s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
96575  s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
96576  s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
96577  s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
96578  s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
96579  s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
96580  s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
96581  s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
96582  s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
96583  s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
96584  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
96585  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
96586  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
96587  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
96588  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
96589  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
96590  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
96591  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
96592  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
96593  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
96594  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
96595  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
96596  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
96597  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
96598  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
96599  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
96600  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
96601  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
96602  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
96603  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
96604  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
96605  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
96606  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
96607  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
96608  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
96609  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
96610  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
96611  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
96612  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
96613  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
96614  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
96615  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
96616  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
96617  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
96618  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
96619  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
96620  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
96621  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
96622  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
96623  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
96624  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
96625  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
96626  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
96627  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
96628  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
96629  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
96630  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
96631  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
96632  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
96633  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
96634  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
96635  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
96636  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
96637  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
96638  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
96639  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
96640  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
96641  s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
96642  s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
96643  s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
96644  s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
96645  s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
96646  s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
96647  s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
96648  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
96649  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
96650  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
96651  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
96652  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
96653  s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
96654  s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
96655  s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
96656  s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
96657  s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
96658  s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
96659  s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
96660  s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
96661  s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
96662  s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
96663  s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
96664  s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
96665  s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
96666  s_r(3, 4, 2) = s_r(3, 4, 2) + e_0_3_4*(1)*s_r_t2_2 ! cost: 5 flops
96667  s_r(3, 4, 2) = s_r(3, 4, 2) + e_1_3_4*(1)*s_r_t2_3 ! cost: 5 flops
96668  s_r(3, 4, 2) = s_r(3, 4, 2) + e_2_3_4*(1)*s_r_t2_4 ! cost: 5 flops
96669  s_r(3, 4, 2) = s_r(3, 4, 2) + e_3_3_4*(1)*s_r_t2_5 ! cost: 5 flops
96670  s_r(3, 4, 2) = s_r(3, 4, 2) + e_4_3_4*(1)*s_r_t2_6 ! cost: 5 flops
96671  s_r(3, 4, 2) = s_r(3, 4, 2) + e_5_3_4*(1)*s_r_t2_7 ! cost: 5 flops
96672  s_r(3, 4, 2) = s_r(3, 4, 2) + e_6_3_4*(1)*s_r_t2_8 ! cost: 5 flops
96673  s_r(3, 4, 2) = s_r(3, 4, 2) + e_7_3_4*(1)*s_r_t2_9 ! cost: 5 flops
96674  r1 = r1 + dr
96675  END DO
96676 
96677  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
96678  END SUBROUTINE
96679  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_4_3_exp_1 ( &
96680  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
96681  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
96682  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
96683  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
96684  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
96685  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
96686  r_pow_t, r_tmp, rr1_delta, rr2_delta
96687 
96688  REAL(kind=dp) :: c1, c2, c3
96689  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
96690  & s_r_t_10
96691  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
96692  & s_r_t2_9, s_r_t2_10
96693  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
96694  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
96695  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
96696  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
96697  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
96698  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
96699  & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10
96700  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
96701  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
96702  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
96703  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
96704  & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3,&
96705  & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
96706  & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4
96707 
96708  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
96709 
96710  dr = lgth
96711  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
96712 
96713  s_r(:, :, :) = 0.0_dp
96714 
96715  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
96716 
96717  h_to_c_0_0 = sqrt(alpha/pi)
96718 
96719  h_to_c_0_1 = 0.0_dp
96720  h_to_c_1_1 = +2*alpha*h_to_c_0_0
96721  h_to_c_0_2 = -1*h_to_c_1_1
96722  h_to_c_1_2 = +2*alpha*h_to_c_0_1
96723  h_to_c_2_2 = +2*alpha*h_to_c_1_1
96724  h_to_c_0_3 = -1*h_to_c_1_2
96725  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
96726  h_to_c_2_3 = +2*alpha*h_to_c_1_2
96727  h_to_c_3_3 = +2*alpha*h_to_c_2_2
96728  h_to_c_0_4 = -1*h_to_c_1_3
96729  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
96730  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
96731  h_to_c_3_4 = +2*alpha*h_to_c_2_3
96732  h_to_c_4_4 = +2*alpha*h_to_c_3_3
96733  h_to_c_0_5 = -1*h_to_c_1_4
96734  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
96735  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
96736  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
96737  h_to_c_4_5 = +2*alpha*h_to_c_3_4
96738  h_to_c_5_5 = +2*alpha*h_to_c_4_4
96739  h_to_c_0_6 = -1*h_to_c_1_5
96740  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
96741  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
96742  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
96743  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
96744  h_to_c_5_6 = +2*alpha*h_to_c_4_5
96745  h_to_c_6_6 = +2*alpha*h_to_c_5_5
96746  h_to_c_0_7 = -1*h_to_c_1_6
96747  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
96748  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
96749  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
96750  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
96751  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
96752  h_to_c_6_7 = +2*alpha*h_to_c_5_6
96753  h_to_c_7_7 = +2*alpha*h_to_c_6_6
96754  h_to_c_0_8 = -1*h_to_c_1_7
96755  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
96756  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
96757  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
96758  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
96759  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
96760  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
96761  h_to_c_7_8 = +2*alpha*h_to_c_6_7
96762  h_to_c_8_8 = +2*alpha*h_to_c_7_7
96763  h_to_c_0_9 = -1*h_to_c_1_8
96764  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
96765  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
96766  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
96767  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
96768  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
96769  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
96770  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
96771  h_to_c_8_9 = +2*alpha*h_to_c_7_8
96772  h_to_c_9_9 = +2*alpha*h_to_c_8_8
96773  h_to_c_0_10 = -1*h_to_c_1_9
96774  h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
96775  h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
96776  h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
96777  h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
96778  h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
96779  h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
96780  h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
96781  h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
96782  h_to_c_9_10 = +2*alpha*h_to_c_8_9
96783  h_to_c_10_10 = +2*alpha*h_to_c_9_9
96784 
96785  exp_drsq = exp(-alpha*dr*dr)
96786  exp_2drsq = exp_drsq*exp_drsq
96787 
96788  rr1_delta = (ra - rb)/dr
96789 
96790  rr1_l = ceiling(-r_c(1) + rr1_delta)
96791  rr1_r = floor(r_c(1) + rr1_delta)
96792 
96793  r1 = rr1_l*dr
96794 
96795  alpha_e = zeta*zetb/(zeta + zetb)
96796 
96797  DO rr1 = rr1_l, rr1_r
96798  s_r_t_0 = 0.0_dp
96799  s_r_t2_0 = 0.0_dp
96800  s_r_t_1 = 0.0_dp
96801  s_r_t2_1 = 0.0_dp
96802  s_r_t_2 = 0.0_dp
96803  s_r_t2_2 = 0.0_dp
96804  s_r_t_3 = 0.0_dp
96805  s_r_t2_3 = 0.0_dp
96806  s_r_t_4 = 0.0_dp
96807  s_r_t2_4 = 0.0_dp
96808  s_r_t_5 = 0.0_dp
96809  s_r_t2_5 = 0.0_dp
96810  s_r_t_6 = 0.0_dp
96811  s_r_t2_6 = 0.0_dp
96812  s_r_t_7 = 0.0_dp
96813  s_r_t2_7 = 0.0_dp
96814  s_r_t_8 = 0.0_dp
96815  s_r_t2_8 = 0.0_dp
96816  s_r_t_9 = 0.0_dp
96817  s_r_t2_9 = 0.0_dp
96818  s_r_t_10 = 0.0_dp
96819  s_r_t2_10 = 0.0_dp
96820  r_tmp = r_offset + r1*zeta/(zeta + zetb)
96821  rr2_delta = -r_tmp/dr
96822 
96823  rr2_l = ceiling(-r_c(2) + rr2_delta)
96824  rr2_r = floor(r_c(2) + rr2_delta)
96825 
96826  r = r_tmp + (rr2_l)*dr
96827 
96828  exp2_2rdr = exp(-2*alpha*r*dr)
96829  exp2_rsq = exp(-alpha*r*r)
96830 
96831  DO rr2 = rr2_l, rr2_r
96832  r_pow_t = 1.0_dp
96833  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
96834  r_pow_t = r_pow_t*r
96835  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
96836  r_pow_t = r_pow_t*r
96837  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
96838  r_pow_t = r_pow_t*r
96839  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
96840  r_pow_t = r_pow_t*r
96841  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
96842  r_pow_t = r_pow_t*r
96843  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
96844  r_pow_t = r_pow_t*r
96845  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
96846  r_pow_t = r_pow_t*r
96847  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
96848  r_pow_t = r_pow_t*r
96849  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
96850  r_pow_t = r_pow_t*r
96851  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
96852  r_pow_t = r_pow_t*r
96853  s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
96854 
96855  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
96856  exp2_2rdr = exp2_2rdr*exp_2drsq
96857  r = r + dr
96858  END DO
96859 
96860  ! C --> H
96861  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
96862  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
96863  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
96864  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
96865  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
96866  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
96867  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
96868  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
96869  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
96870  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
96871  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
96872  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
96873  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
96874  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
96875  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
96876  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
96877  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
96878  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
96879  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
96880  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
96881  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
96882  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
96883  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
96884  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
96885  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
96886  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
96887  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
96888  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
96889  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
96890  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
96891  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
96892  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
96893  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
96894  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
96895  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
96896  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
96897  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
96898  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
96899  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
96900  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
96901  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
96902  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
96903  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
96904  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
96905  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
96906  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
96907  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
96908  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
96909  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
96910  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
96911  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
96912  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
96913  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
96914  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
96915  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
96916  s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
96917  s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
96918  s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
96919  s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
96920  s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
96921  s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
96922  s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
96923  s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
96924  s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
96925  s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
96926  s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
96927 
96928  ! H --> HH
96929  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
96930 
96931  c1 = 1.0_dp/(zeta + zetb)
96932  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
96933  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
96934 
96935  e_0_1_0 = zeta*( &
96936  +c2*e_0_0_0&
96937 
96938  )
96939  e_0_0_1 = zetb*( &
96940  +c3*e_0_0_0&
96941 
96942  )
96943  e_1_1_0 = zeta*( c1*e_0_0_0 &
96944 
96945 
96946  )
96947  e_1_0_1 = zetb*( c1*e_0_0_0 &
96948 
96949 
96950  )
96951  e_0_2_0 = zeta*( &
96952  +c2*e_0_1_0&
96953  +2*e_1_1_0 &
96954  -2*e_0_0_0)
96955  e_0_1_1 = zetb*( &
96956  +c3*e_0_1_0&
96957  +2*e_1_1_0 &
96958  )
96959  e_1_2_0 = zeta*( c1*e_0_1_0 &
96960  +c2*e_1_1_0&
96961 
96962  )
96963  e_1_1_1 = zetb*( c1*e_0_1_0 &
96964  +c3*e_1_1_0&
96965 
96966  )
96967  e_2_2_0 = zeta*( c1*e_1_1_0 &
96968 
96969 
96970  )
96971  e_2_1_1 = zetb*( c1*e_1_1_0 &
96972 
96973 
96974  )
96975  e_0_3_0 = zeta*( &
96976  +c2*e_0_2_0&
96977  +2*e_1_2_0 &
96978  -4*e_0_1_0)
96979  e_0_2_1 = zetb*( &
96980  +c3*e_0_2_0&
96981  +2*e_1_2_0 &
96982  )
96983  e_1_3_0 = zeta*( c1*e_0_2_0 &
96984  +c2*e_1_2_0&
96985  +4*e_2_2_0 &
96986  -4*e_1_1_0)
96987  e_1_2_1 = zetb*( c1*e_0_2_0 &
96988  +c3*e_1_2_0&
96989  +4*e_2_2_0 &
96990  )
96991  e_2_3_0 = zeta*( c1*e_1_2_0 &
96992  +c2*e_2_2_0&
96993 
96994  )
96995  e_2_2_1 = zetb*( c1*e_1_2_0 &
96996  +c3*e_2_2_0&
96997 
96998  )
96999  e_3_3_0 = zeta*( c1*e_2_2_0 &
97000 
97001 
97002  )
97003  e_3_2_1 = zetb*( c1*e_2_2_0 &
97004 
97005 
97006  )
97007  e_0_3_1 = zetb*( &
97008  +c3*e_0_3_0&
97009  +2*e_1_3_0 &
97010  )
97011  e_1_3_1 = zetb*( c1*e_0_3_0 &
97012  +c3*e_1_3_0&
97013  +4*e_2_3_0 &
97014  )
97015  e_2_3_1 = zetb*( c1*e_1_3_0 &
97016  +c3*e_2_3_0&
97017  +6*e_3_3_0 &
97018  )
97019  e_3_3_1 = zetb*( c1*e_2_3_0 &
97020  +c3*e_3_3_0&
97021 
97022  )
97023  e_4_3_1 = zetb*( c1*e_3_3_0 &
97024 
97025 
97026  )
97027  e_0_1_1 = zeta*( &
97028  +c2*e_0_0_1&
97029  +2*e_1_0_1 &
97030  )
97031  e_0_0_2 = zetb*( &
97032  +c3*e_0_0_1&
97033  +2*e_1_0_1 &
97034  -2*e_0_0_0)
97035  e_1_1_1 = zeta*( c1*e_0_0_1 &
97036  +c2*e_1_0_1&
97037 
97038  )
97039  e_1_0_2 = zetb*( c1*e_0_0_1 &
97040  +c3*e_1_0_1&
97041 
97042  )
97043  e_2_1_1 = zeta*( c1*e_1_0_1 &
97044 
97045 
97046  )
97047  e_2_0_2 = zetb*( c1*e_1_0_1 &
97048 
97049 
97050  )
97051  e_0_2_1 = zeta*( &
97052  +c2*e_0_1_1&
97053  +2*e_1_1_1 &
97054  -2*e_0_0_1)
97055  e_0_1_2 = zetb*( &
97056  +c3*e_0_1_1&
97057  +2*e_1_1_1 &
97058  -2*e_0_1_0)
97059  e_1_2_1 = zeta*( c1*e_0_1_1 &
97060  +c2*e_1_1_1&
97061  +4*e_2_1_1 &
97062  -2*e_1_0_1)
97063  e_1_1_2 = zetb*( c1*e_0_1_1 &
97064  +c3*e_1_1_1&
97065  +4*e_2_1_1 &
97066  -2*e_1_1_0)
97067  e_2_2_1 = zeta*( c1*e_1_1_1 &
97068  +c2*e_2_1_1&
97069 
97070  )
97071  e_2_1_2 = zetb*( c1*e_1_1_1 &
97072  +c3*e_2_1_1&
97073 
97074  )
97075  e_3_2_1 = zeta*( c1*e_2_1_1 &
97076 
97077 
97078  )
97079  e_3_1_2 = zetb*( c1*e_2_1_1 &
97080 
97081 
97082  )
97083  e_0_3_1 = zeta*( &
97084  +c2*e_0_2_1&
97085  +2*e_1_2_1 &
97086  -4*e_0_1_1)
97087  e_0_2_2 = zetb*( &
97088  +c3*e_0_2_1&
97089  +2*e_1_2_1 &
97090  -2*e_0_2_0)
97091  e_1_3_1 = zeta*( c1*e_0_2_1 &
97092  +c2*e_1_2_1&
97093  +4*e_2_2_1 &
97094  -4*e_1_1_1)
97095  e_1_2_2 = zetb*( c1*e_0_2_1 &
97096  +c3*e_1_2_1&
97097  +4*e_2_2_1 &
97098  -2*e_1_2_0)
97099  e_2_3_1 = zeta*( c1*e_1_2_1 &
97100  +c2*e_2_2_1&
97101  +6*e_3_2_1 &
97102  -4*e_2_1_1)
97103  e_2_2_2 = zetb*( c1*e_1_2_1 &
97104  +c3*e_2_2_1&
97105  +6*e_3_2_1 &
97106  -2*e_2_2_0)
97107  e_3_3_1 = zeta*( c1*e_2_2_1 &
97108  +c2*e_3_2_1&
97109 
97110  )
97111  e_3_2_2 = zetb*( c1*e_2_2_1 &
97112  +c3*e_3_2_1&
97113 
97114  )
97115  e_4_3_1 = zeta*( c1*e_3_2_1 &
97116 
97117 
97118  )
97119  e_4_2_2 = zetb*( c1*e_3_2_1 &
97120 
97121 
97122  )
97123  e_0_3_2 = zetb*( &
97124  +c3*e_0_3_1&
97125  +2*e_1_3_1 &
97126  -2*e_0_3_0)
97127  e_1_3_2 = zetb*( c1*e_0_3_1 &
97128  +c3*e_1_3_1&
97129  +4*e_2_3_1 &
97130  -2*e_1_3_0)
97131  e_2_3_2 = zetb*( c1*e_1_3_1 &
97132  +c3*e_2_3_1&
97133  +6*e_3_3_1 &
97134  -2*e_2_3_0)
97135  e_3_3_2 = zetb*( c1*e_2_3_1 &
97136  +c3*e_3_3_1&
97137  +8*e_4_3_1 &
97138  -2*e_3_3_0)
97139  e_4_3_2 = zetb*( c1*e_3_3_1 &
97140  +c3*e_4_3_1&
97141 
97142  )
97143  e_5_3_2 = zetb*( c1*e_4_3_1 &
97144 
97145 
97146  )
97147  e_0_1_2 = zeta*( &
97148  +c2*e_0_0_2&
97149  +2*e_1_0_2 &
97150  )
97151  e_0_0_3 = zetb*( &
97152  +c3*e_0_0_2&
97153  +2*e_1_0_2 &
97154  -4*e_0_0_1)
97155  e_1_1_2 = zeta*( c1*e_0_0_2 &
97156  +c2*e_1_0_2&
97157  +4*e_2_0_2 &
97158  )
97159  e_1_0_3 = zetb*( c1*e_0_0_2 &
97160  +c3*e_1_0_2&
97161  +4*e_2_0_2 &
97162  -4*e_1_0_1)
97163  e_2_1_2 = zeta*( c1*e_1_0_2 &
97164  +c2*e_2_0_2&
97165 
97166  )
97167  e_2_0_3 = zetb*( c1*e_1_0_2 &
97168  +c3*e_2_0_2&
97169 
97170  )
97171  e_3_1_2 = zeta*( c1*e_2_0_2 &
97172 
97173 
97174  )
97175  e_3_0_3 = zetb*( c1*e_2_0_2 &
97176 
97177 
97178  )
97179  e_0_2_2 = zeta*( &
97180  +c2*e_0_1_2&
97181  +2*e_1_1_2 &
97182  -2*e_0_0_2)
97183  e_0_1_3 = zetb*( &
97184  +c3*e_0_1_2&
97185  +2*e_1_1_2 &
97186  -4*e_0_1_1)
97187  e_1_2_2 = zeta*( c1*e_0_1_2 &
97188  +c2*e_1_1_2&
97189  +4*e_2_1_2 &
97190  -2*e_1_0_2)
97191  e_1_1_3 = zetb*( c1*e_0_1_2 &
97192  +c3*e_1_1_2&
97193  +4*e_2_1_2 &
97194  -4*e_1_1_1)
97195  e_2_2_2 = zeta*( c1*e_1_1_2 &
97196  +c2*e_2_1_2&
97197  +6*e_3_1_2 &
97198  -2*e_2_0_2)
97199  e_2_1_3 = zetb*( c1*e_1_1_2 &
97200  +c3*e_2_1_2&
97201  +6*e_3_1_2 &
97202  -4*e_2_1_1)
97203  e_3_2_2 = zeta*( c1*e_2_1_2 &
97204  +c2*e_3_1_2&
97205 
97206  )
97207  e_3_1_3 = zetb*( c1*e_2_1_2 &
97208  +c3*e_3_1_2&
97209 
97210  )
97211  e_4_2_2 = zeta*( c1*e_3_1_2 &
97212 
97213 
97214  )
97215  e_4_1_3 = zetb*( c1*e_3_1_2 &
97216 
97217 
97218  )
97219  e_0_3_2 = zeta*( &
97220  +c2*e_0_2_2&
97221  +2*e_1_2_2 &
97222  -4*e_0_1_2)
97223  e_0_2_3 = zetb*( &
97224  +c3*e_0_2_2&
97225  +2*e_1_2_2 &
97226  -4*e_0_2_1)
97227  e_1_3_2 = zeta*( c1*e_0_2_2 &
97228  +c2*e_1_2_2&
97229  +4*e_2_2_2 &
97230  -4*e_1_1_2)
97231  e_1_2_3 = zetb*( c1*e_0_2_2 &
97232  +c3*e_1_2_2&
97233  +4*e_2_2_2 &
97234  -4*e_1_2_1)
97235  e_2_3_2 = zeta*( c1*e_1_2_2 &
97236  +c2*e_2_2_2&
97237  +6*e_3_2_2 &
97238  -4*e_2_1_2)
97239  e_2_2_3 = zetb*( c1*e_1_2_2 &
97240  +c3*e_2_2_2&
97241  +6*e_3_2_2 &
97242  -4*e_2_2_1)
97243  e_3_3_2 = zeta*( c1*e_2_2_2 &
97244  +c2*e_3_2_2&
97245  +8*e_4_2_2 &
97246  -4*e_3_1_2)
97247  e_3_2_3 = zetb*( c1*e_2_2_2 &
97248  +c3*e_3_2_2&
97249  +8*e_4_2_2 &
97250  -4*e_3_2_1)
97251  e_4_3_2 = zeta*( c1*e_3_2_2 &
97252  +c2*e_4_2_2&
97253 
97254  )
97255  e_4_2_3 = zetb*( c1*e_3_2_2 &
97256  +c3*e_4_2_2&
97257 
97258  )
97259  e_5_3_2 = zeta*( c1*e_4_2_2 &
97260 
97261 
97262  )
97263  e_5_2_3 = zetb*( c1*e_4_2_2 &
97264 
97265 
97266  )
97267  e_0_3_3 = zetb*( &
97268  +c3*e_0_3_2&
97269  +2*e_1_3_2 &
97270  -4*e_0_3_1)
97271  e_1_3_3 = zetb*( c1*e_0_3_2 &
97272  +c3*e_1_3_2&
97273  +4*e_2_3_2 &
97274  -4*e_1_3_1)
97275  e_2_3_3 = zetb*( c1*e_1_3_2 &
97276  +c3*e_2_3_2&
97277  +6*e_3_3_2 &
97278  -4*e_2_3_1)
97279  e_3_3_3 = zetb*( c1*e_2_3_2 &
97280  +c3*e_3_3_2&
97281  +8*e_4_3_2 &
97282  -4*e_3_3_1)
97283  e_4_3_3 = zetb*( c1*e_3_3_2 &
97284  +c3*e_4_3_2&
97285  +10*e_5_3_2 &
97286  -4*e_4_3_1)
97287  e_5_3_3 = zetb*( c1*e_4_3_2 &
97288  +c3*e_5_3_2&
97289 
97290  )
97291  e_6_3_3 = zetb*( c1*e_5_3_2 &
97292 
97293 
97294  )
97295  e_0_1_3 = zeta*( &
97296  +c2*e_0_0_3&
97297  +2*e_1_0_3 &
97298  )
97299  e_0_0_4 = zetb*( &
97300  +c3*e_0_0_3&
97301  +2*e_1_0_3 &
97302  -6*e_0_0_2)
97303  e_1_1_3 = zeta*( c1*e_0_0_3 &
97304  +c2*e_1_0_3&
97305  +4*e_2_0_3 &
97306  )
97307  e_1_0_4 = zetb*( c1*e_0_0_3 &
97308  +c3*e_1_0_3&
97309  +4*e_2_0_3 &
97310  -6*e_1_0_2)
97311  e_2_1_3 = zeta*( c1*e_1_0_3 &
97312  +c2*e_2_0_3&
97313  +6*e_3_0_3 &
97314  )
97315  e_2_0_4 = zetb*( c1*e_1_0_3 &
97316  +c3*e_2_0_3&
97317  +6*e_3_0_3 &
97318  -6*e_2_0_2)
97319  e_3_1_3 = zeta*( c1*e_2_0_3 &
97320  +c2*e_3_0_3&
97321 
97322  )
97323  e_3_0_4 = zetb*( c1*e_2_0_3 &
97324  +c3*e_3_0_3&
97325 
97326  )
97327  e_4_1_3 = zeta*( c1*e_3_0_3 &
97328 
97329 
97330  )
97331  e_4_0_4 = zetb*( c1*e_3_0_3 &
97332 
97333 
97334  )
97335  e_0_2_3 = zeta*( &
97336  +c2*e_0_1_3&
97337  +2*e_1_1_3 &
97338  -2*e_0_0_3)
97339  e_0_1_4 = zetb*( &
97340  +c3*e_0_1_3&
97341  +2*e_1_1_3 &
97342  -6*e_0_1_2)
97343  e_1_2_3 = zeta*( c1*e_0_1_3 &
97344  +c2*e_1_1_3&
97345  +4*e_2_1_3 &
97346  -2*e_1_0_3)
97347  e_1_1_4 = zetb*( c1*e_0_1_3 &
97348  +c3*e_1_1_3&
97349  +4*e_2_1_3 &
97350  -6*e_1_1_2)
97351  e_2_2_3 = zeta*( c1*e_1_1_3 &
97352  +c2*e_2_1_3&
97353  +6*e_3_1_3 &
97354  -2*e_2_0_3)
97355  e_2_1_4 = zetb*( c1*e_1_1_3 &
97356  +c3*e_2_1_3&
97357  +6*e_3_1_3 &
97358  -6*e_2_1_2)
97359  e_3_2_3 = zeta*( c1*e_2_1_3 &
97360  +c2*e_3_1_3&
97361  +8*e_4_1_3 &
97362  -2*e_3_0_3)
97363  e_3_1_4 = zetb*( c1*e_2_1_3 &
97364  +c3*e_3_1_3&
97365  +8*e_4_1_3 &
97366  -6*e_3_1_2)
97367  e_4_2_3 = zeta*( c1*e_3_1_3 &
97368  +c2*e_4_1_3&
97369 
97370  )
97371  e_4_1_4 = zetb*( c1*e_3_1_3 &
97372  +c3*e_4_1_3&
97373 
97374  )
97375  e_5_2_3 = zeta*( c1*e_4_1_3 &
97376 
97377 
97378  )
97379  e_5_1_4 = zetb*( c1*e_4_1_3 &
97380 
97381 
97382  )
97383  e_0_3_3 = zeta*( &
97384  +c2*e_0_2_3&
97385  +2*e_1_2_3 &
97386  -4*e_0_1_3)
97387  e_0_2_4 = zetb*( &
97388  +c3*e_0_2_3&
97389  +2*e_1_2_3 &
97390  -6*e_0_2_2)
97391  e_1_3_3 = zeta*( c1*e_0_2_3 &
97392  +c2*e_1_2_3&
97393  +4*e_2_2_3 &
97394  -4*e_1_1_3)
97395  e_1_2_4 = zetb*( c1*e_0_2_3 &
97396  +c3*e_1_2_3&
97397  +4*e_2_2_3 &
97398  -6*e_1_2_2)
97399  e_2_3_3 = zeta*( c1*e_1_2_3 &
97400  +c2*e_2_2_3&
97401  +6*e_3_2_3 &
97402  -4*e_2_1_3)
97403  e_2_2_4 = zetb*( c1*e_1_2_3 &
97404  +c3*e_2_2_3&
97405  +6*e_3_2_3 &
97406  -6*e_2_2_2)
97407  e_3_3_3 = zeta*( c1*e_2_2_3 &
97408  +c2*e_3_2_3&
97409  +8*e_4_2_3 &
97410  -4*e_3_1_3)
97411  e_3_2_4 = zetb*( c1*e_2_2_3 &
97412  +c3*e_3_2_3&
97413  +8*e_4_2_3 &
97414  -6*e_3_2_2)
97415  e_4_3_3 = zeta*( c1*e_3_2_3 &
97416  +c2*e_4_2_3&
97417  +10*e_5_2_3 &
97418  -4*e_4_1_3)
97419  e_4_2_4 = zetb*( c1*e_3_2_3 &
97420  +c3*e_4_2_3&
97421  +10*e_5_2_3 &
97422  -6*e_4_2_2)
97423  e_5_3_3 = zeta*( c1*e_4_2_3 &
97424  +c2*e_5_2_3&
97425 
97426  )
97427  e_5_2_4 = zetb*( c1*e_4_2_3 &
97428  +c3*e_5_2_3&
97429 
97430  )
97431  e_6_3_3 = zeta*( c1*e_5_2_3 &
97432 
97433 
97434  )
97435  e_6_2_4 = zetb*( c1*e_5_2_3 &
97436 
97437 
97438  )
97439  e_0_3_4 = zetb*( &
97440  +c3*e_0_3_3&
97441  +2*e_1_3_3 &
97442  -6*e_0_3_2)
97443  e_1_3_4 = zetb*( c1*e_0_3_3 &
97444  +c3*e_1_3_3&
97445  +4*e_2_3_3 &
97446  -6*e_1_3_2)
97447  e_2_3_4 = zetb*( c1*e_1_3_3 &
97448  +c3*e_2_3_3&
97449  +6*e_3_3_3 &
97450  -6*e_2_3_2)
97451  e_3_3_4 = zetb*( c1*e_2_3_3 &
97452  +c3*e_3_3_3&
97453  +8*e_4_3_3 &
97454  -6*e_3_3_2)
97455  e_4_3_4 = zetb*( c1*e_3_3_3 &
97456  +c3*e_4_3_3&
97457  +10*e_5_3_3 &
97458  -6*e_4_3_2)
97459  e_5_3_4 = zetb*( c1*e_4_3_3 &
97460  +c3*e_5_3_3&
97461  +12*e_6_3_3 &
97462  -6*e_5_3_2)
97463  e_6_3_4 = zetb*( c1*e_5_3_3 &
97464  +c3*e_6_3_3&
97465 
97466  )
97467  e_7_3_4 = zetb*( c1*e_6_3_3 &
97468 
97469 
97470  )
97471  e_0_1_4 = zeta*( &
97472  +c2*e_0_0_4&
97473  +2*e_1_0_4 &
97474  )
97475  e_1_1_4 = zeta*( c1*e_0_0_4 &
97476  +c2*e_1_0_4&
97477  +4*e_2_0_4 &
97478  )
97479  e_2_1_4 = zeta*( c1*e_1_0_4 &
97480  +c2*e_2_0_4&
97481  +6*e_3_0_4 &
97482  )
97483  e_3_1_4 = zeta*( c1*e_2_0_4 &
97484  +c2*e_3_0_4&
97485  +8*e_4_0_4 &
97486  )
97487  e_4_1_4 = zeta*( c1*e_3_0_4 &
97488  +c2*e_4_0_4&
97489 
97490  )
97491  e_5_1_4 = zeta*( c1*e_4_0_4 &
97492 
97493 
97494  )
97495  e_0_2_4 = zeta*( &
97496  +c2*e_0_1_4&
97497  +2*e_1_1_4 &
97498  -2*e_0_0_4)
97499  e_1_2_4 = zeta*( c1*e_0_1_4 &
97500  +c2*e_1_1_4&
97501  +4*e_2_1_4 &
97502  -2*e_1_0_4)
97503  e_2_2_4 = zeta*( c1*e_1_1_4 &
97504  +c2*e_2_1_4&
97505  +6*e_3_1_4 &
97506  -2*e_2_0_4)
97507  e_3_2_4 = zeta*( c1*e_2_1_4 &
97508  +c2*e_3_1_4&
97509  +8*e_4_1_4 &
97510  -2*e_3_0_4)
97511  e_4_2_4 = zeta*( c1*e_3_1_4 &
97512  +c2*e_4_1_4&
97513  +10*e_5_1_4 &
97514  -2*e_4_0_4)
97515  e_5_2_4 = zeta*( c1*e_4_1_4 &
97516  +c2*e_5_1_4&
97517 
97518  )
97519  e_6_2_4 = zeta*( c1*e_5_1_4 &
97520 
97521 
97522  )
97523  e_0_3_4 = zeta*( &
97524  +c2*e_0_2_4&
97525  +2*e_1_2_4 &
97526  -4*e_0_1_4)
97527  e_1_3_4 = zeta*( c1*e_0_2_4 &
97528  +c2*e_1_2_4&
97529  +4*e_2_2_4 &
97530  -4*e_1_1_4)
97531  e_2_3_4 = zeta*( c1*e_1_2_4 &
97532  +c2*e_2_2_4&
97533  +6*e_3_2_4 &
97534  -4*e_2_1_4)
97535  e_3_3_4 = zeta*( c1*e_2_2_4 &
97536  +c2*e_3_2_4&
97537  +8*e_4_2_4 &
97538  -4*e_3_1_4)
97539  e_4_3_4 = zeta*( c1*e_3_2_4 &
97540  +c2*e_4_2_4&
97541  +10*e_5_2_4 &
97542  -4*e_4_1_4)
97543  e_5_3_4 = zeta*( c1*e_4_2_4 &
97544  +c2*e_5_2_4&
97545  +12*e_6_2_4 &
97546  -4*e_5_1_4)
97547  e_6_3_4 = zeta*( c1*e_5_2_4 &
97548  +c2*e_6_2_4&
97549 
97550  )
97551  e_7_3_4 = zeta*( c1*e_6_2_4 &
97552 
97553 
97554  )
97555 
97556  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
97557  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
97558  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
97559  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
97560  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
97561  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
97562  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
97563  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
97564  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
97565  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
97566  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
97567  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
97568  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
97569  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
97570  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
97571  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
97572  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
97573  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
97574  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
97575  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
97576  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
97577  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
97578  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
97579  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
97580  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
97581  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
97582  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
97583  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
97584  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
97585  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
97586  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
97587  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
97588  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
97589  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
97590  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
97591  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
97592  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
97593  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
97594  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
97595  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
97596  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
97597  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
97598  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
97599  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
97600  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
97601  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
97602  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
97603  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
97604  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
97605  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
97606  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
97607  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
97608  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
97609  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
97610  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
97611  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
97612  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
97613  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
97614  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
97615  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
97616  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
97617  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
97618  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
97619  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
97620  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
97621  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
97622  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
97623  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
97624  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
97625  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
97626  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
97627  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
97628  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
97629  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
97630  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
97631  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
97632  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
97633  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
97634  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
97635  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
97636  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
97637  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
97638  s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
97639  s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
97640  s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
97641  s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
97642  s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
97643  s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
97644  s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
97645  s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
97646  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
97647  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
97648  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
97649  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
97650  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
97651  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
97652  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
97653  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
97654  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
97655  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
97656  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
97657  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
97658  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
97659  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
97660  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
97661  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
97662  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
97663  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
97664  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
97665  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
97666  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
97667  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
97668  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
97669  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
97670  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
97671  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
97672  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
97673  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
97674  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
97675  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
97676  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
97677  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
97678  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
97679  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
97680  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
97681  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
97682  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
97683  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
97684  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
97685  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
97686  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
97687  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
97688  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
97689  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
97690  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
97691  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
97692  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
97693  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
97694  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
97695  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
97696  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
97697  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
97698  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
97699  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
97700  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
97701  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
97702  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
97703  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
97704  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
97705  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
97706  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
97707  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
97708  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
97709  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
97710  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
97711  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
97712  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
97713  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
97714  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
97715  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
97716  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
97717  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
97718  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
97719  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
97720  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
97721  s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
97722  s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
97723  s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
97724  s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
97725  s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
97726  s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
97727  s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
97728  s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
97729  s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
97730  s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
97731  s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
97732  s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
97733  s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
97734  s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
97735  s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
97736  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
97737  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
97738  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
97739  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
97740  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
97741  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
97742  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
97743  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
97744  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
97745  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
97746  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
97747  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
97748  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
97749  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
97750  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
97751  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
97752  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
97753  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
97754  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
97755  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
97756  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
97757  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
97758  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
97759  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
97760  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
97761  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
97762  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
97763  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
97764  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
97765  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
97766  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
97767  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
97768  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
97769  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
97770  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
97771  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
97772  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
97773  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
97774  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
97775  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
97776  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
97777  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
97778  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
97779  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
97780  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
97781  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
97782  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
97783  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
97784  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
97785  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
97786  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
97787  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
97788  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
97789  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
97790  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
97791  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
97792  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
97793  s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
97794  s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
97795  s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
97796  s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
97797  s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
97798  s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
97799  s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
97800  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
97801  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
97802  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
97803  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
97804  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
97805  s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
97806  s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
97807  s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
97808  s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
97809  s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
97810  s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
97811  s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
97812  s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
97813  s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
97814  s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
97815  s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
97816  s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
97817  s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
97818  s_r(3, 4, 2) = s_r(3, 4, 2) + e_0_3_4*(1)*s_r_t2_2 ! cost: 5 flops
97819  s_r(3, 4, 2) = s_r(3, 4, 2) + e_1_3_4*(1)*s_r_t2_3 ! cost: 5 flops
97820  s_r(3, 4, 2) = s_r(3, 4, 2) + e_2_3_4*(1)*s_r_t2_4 ! cost: 5 flops
97821  s_r(3, 4, 2) = s_r(3, 4, 2) + e_3_3_4*(1)*s_r_t2_5 ! cost: 5 flops
97822  s_r(3, 4, 2) = s_r(3, 4, 2) + e_4_3_4*(1)*s_r_t2_6 ! cost: 5 flops
97823  s_r(3, 4, 2) = s_r(3, 4, 2) + e_5_3_4*(1)*s_r_t2_7 ! cost: 5 flops
97824  s_r(3, 4, 2) = s_r(3, 4, 2) + e_6_3_4*(1)*s_r_t2_8 ! cost: 5 flops
97825  s_r(3, 4, 2) = s_r(3, 4, 2) + e_7_3_4*(1)*s_r_t2_9 ! cost: 5 flops
97826  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
97827  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
97828  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
97829  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
97830  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
97831  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
97832  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
97833  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
97834  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
97835  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
97836  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
97837  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
97838  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
97839  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
97840  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
97841  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
97842  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
97843  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
97844  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
97845  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
97846  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
97847  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
97848  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
97849  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
97850  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
97851  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
97852  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
97853  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
97854  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
97855  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
97856  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
97857  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
97858  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
97859  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
97860  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
97861  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
97862  s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
97863  s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
97864  s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
97865  s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
97866  s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
97867  s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
97868  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
97869  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
97870  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
97871  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
97872  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
97873  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
97874  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
97875  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
97876  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
97877  s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
97878  s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
97879  s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
97880  s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
97881  s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
97882  s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
97883  s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
97884  s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
97885  s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
97886  s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
97887  s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
97888  s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
97889  s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
97890  s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
97891  s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
97892  s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
97893  s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
97894  s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
97895  s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
97896  s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
97897  s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
97898  s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
97899  s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
97900  s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
97901  s_r(2, 4, 3) = s_r(2, 4, 3) + e_0_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
97902  s_r(2, 4, 3) = s_r(2, 4, 3) + e_1_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
97903  s_r(2, 4, 3) = s_r(2, 4, 3) + e_2_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
97904  s_r(2, 4, 3) = s_r(2, 4, 3) + e_3_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
97905  s_r(2, 4, 3) = s_r(2, 4, 3) + e_4_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
97906  s_r(2, 4, 3) = s_r(2, 4, 3) + e_5_2_4*(-1)*s_r_t2_8 ! cost: 5 flops
97907  s_r(2, 4, 3) = s_r(2, 4, 3) + e_6_2_4*(-1)*s_r_t2_9 ! cost: 5 flops
97908  s_r(3, 4, 3) = s_r(3, 4, 3) + e_0_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
97909  s_r(3, 4, 3) = s_r(3, 4, 3) + e_1_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
97910  s_r(3, 4, 3) = s_r(3, 4, 3) + e_2_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
97911  s_r(3, 4, 3) = s_r(3, 4, 3) + e_3_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
97912  s_r(3, 4, 3) = s_r(3, 4, 3) + e_4_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
97913  s_r(3, 4, 3) = s_r(3, 4, 3) + e_5_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
97914  s_r(3, 4, 3) = s_r(3, 4, 3) + e_6_3_4*(-1)*s_r_t2_9 ! cost: 5 flops
97915  s_r(3, 4, 3) = s_r(3, 4, 3) + e_7_3_4*(-1)*s_r_t2_10 ! cost: 5 flops
97916  r1 = r1 + dr
97917  END DO
97918 
97919  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
97920  END SUBROUTINE
97921  PURE SUBROUTINE pgf_sum_3c_rspace_1d_3_4_4_exp_1 ( &
97922  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
97923  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
97924  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
97925  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
97926  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
97927  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
97928  r_pow_t, r_tmp, rr1_delta, rr2_delta
97929 
97930  REAL(kind=dp) :: c1, c2, c3
97931  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
97932  & s_r_t_10, s_r_t_11
97933  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
97934  & s_r_t2_9, s_r_t2_10, s_r_t2_11
97935  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
97936  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
97937  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
97938  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
97939  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
97940  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
97941  & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10, h_to_c_0_11,&
97942  & h_to_c_1_11, h_to_c_2_11, h_to_c_3_11, h_to_c_4_11, h_to_c_5_11, h_to_c_6_11, h_to_c_7_11, h_to_c_8_11, h_to_c_9_11,&
97943  & h_to_c_10_11, h_to_c_11_11
97944  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_0_1, e_1_0_1,&
97945  & e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1, e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_0_2,&
97946  & e_1_0_2, e_2_0_2, e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2,&
97947  & e_2_3_2, e_3_3_2, e_4_3_2, e_5_3_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3, e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3,&
97948  & e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3, e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3,&
97949  & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
97950  & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4
97951 
97952  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
97953 
97954  dr = lgth
97955  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
97956 
97957  s_r(:, :, :) = 0.0_dp
97958 
97959  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
97960 
97961  h_to_c_0_0 = sqrt(alpha/pi)
97962 
97963  h_to_c_0_1 = 0.0_dp
97964  h_to_c_1_1 = +2*alpha*h_to_c_0_0
97965  h_to_c_0_2 = -1*h_to_c_1_1
97966  h_to_c_1_2 = +2*alpha*h_to_c_0_1
97967  h_to_c_2_2 = +2*alpha*h_to_c_1_1
97968  h_to_c_0_3 = -1*h_to_c_1_2
97969  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
97970  h_to_c_2_3 = +2*alpha*h_to_c_1_2
97971  h_to_c_3_3 = +2*alpha*h_to_c_2_2
97972  h_to_c_0_4 = -1*h_to_c_1_3
97973  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
97974  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
97975  h_to_c_3_4 = +2*alpha*h_to_c_2_3
97976  h_to_c_4_4 = +2*alpha*h_to_c_3_3
97977  h_to_c_0_5 = -1*h_to_c_1_4
97978  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
97979  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
97980  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
97981  h_to_c_4_5 = +2*alpha*h_to_c_3_4
97982  h_to_c_5_5 = +2*alpha*h_to_c_4_4
97983  h_to_c_0_6 = -1*h_to_c_1_5
97984  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
97985  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
97986  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
97987  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
97988  h_to_c_5_6 = +2*alpha*h_to_c_4_5
97989  h_to_c_6_6 = +2*alpha*h_to_c_5_5
97990  h_to_c_0_7 = -1*h_to_c_1_6
97991  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
97992  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
97993  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
97994  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
97995  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
97996  h_to_c_6_7 = +2*alpha*h_to_c_5_6
97997  h_to_c_7_7 = +2*alpha*h_to_c_6_6
97998  h_to_c_0_8 = -1*h_to_c_1_7
97999  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
98000  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
98001  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
98002  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
98003  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
98004  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
98005  h_to_c_7_8 = +2*alpha*h_to_c_6_7
98006  h_to_c_8_8 = +2*alpha*h_to_c_7_7
98007  h_to_c_0_9 = -1*h_to_c_1_8
98008  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
98009  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
98010  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
98011  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
98012  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
98013  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
98014  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
98015  h_to_c_8_9 = +2*alpha*h_to_c_7_8
98016  h_to_c_9_9 = +2*alpha*h_to_c_8_8
98017  h_to_c_0_10 = -1*h_to_c_1_9
98018  h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
98019  h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
98020  h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
98021  h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
98022  h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
98023  h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
98024  h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
98025  h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
98026  h_to_c_9_10 = +2*alpha*h_to_c_8_9
98027  h_to_c_10_10 = +2*alpha*h_to_c_9_9
98028  h_to_c_0_11 = -1*h_to_c_1_10
98029  h_to_c_1_11 = -2*h_to_c_2_10 +2*alpha*h_to_c_0_10
98030  h_to_c_2_11 = -3*h_to_c_3_10 +2*alpha*h_to_c_1_10
98031  h_to_c_3_11 = -4*h_to_c_4_10 +2*alpha*h_to_c_2_10
98032  h_to_c_4_11 = -5*h_to_c_5_10 +2*alpha*h_to_c_3_10
98033  h_to_c_5_11 = -6*h_to_c_6_10 +2*alpha*h_to_c_4_10
98034  h_to_c_6_11 = -7*h_to_c_7_10 +2*alpha*h_to_c_5_10
98035  h_to_c_7_11 = -8*h_to_c_8_10 +2*alpha*h_to_c_6_10
98036  h_to_c_8_11 = -9*h_to_c_9_10 +2*alpha*h_to_c_7_10
98037  h_to_c_9_11 = -10*h_to_c_10_10 +2*alpha*h_to_c_8_10
98038  h_to_c_10_11 = +2*alpha*h_to_c_9_10
98039  h_to_c_11_11 = +2*alpha*h_to_c_10_10
98040 
98041  exp_drsq = exp(-alpha*dr*dr)
98042  exp_2drsq = exp_drsq*exp_drsq
98043 
98044  rr1_delta = (ra - rb)/dr
98045 
98046  rr1_l = ceiling(-r_c(1) + rr1_delta)
98047  rr1_r = floor(r_c(1) + rr1_delta)
98048 
98049  r1 = rr1_l*dr
98050 
98051  alpha_e = zeta*zetb/(zeta + zetb)
98052 
98053  DO rr1 = rr1_l, rr1_r
98054  s_r_t_0 = 0.0_dp
98055  s_r_t2_0 = 0.0_dp
98056  s_r_t_1 = 0.0_dp
98057  s_r_t2_1 = 0.0_dp
98058  s_r_t_2 = 0.0_dp
98059  s_r_t2_2 = 0.0_dp
98060  s_r_t_3 = 0.0_dp
98061  s_r_t2_3 = 0.0_dp
98062  s_r_t_4 = 0.0_dp
98063  s_r_t2_4 = 0.0_dp
98064  s_r_t_5 = 0.0_dp
98065  s_r_t2_5 = 0.0_dp
98066  s_r_t_6 = 0.0_dp
98067  s_r_t2_6 = 0.0_dp
98068  s_r_t_7 = 0.0_dp
98069  s_r_t2_7 = 0.0_dp
98070  s_r_t_8 = 0.0_dp
98071  s_r_t2_8 = 0.0_dp
98072  s_r_t_9 = 0.0_dp
98073  s_r_t2_9 = 0.0_dp
98074  s_r_t_10 = 0.0_dp
98075  s_r_t2_10 = 0.0_dp
98076  s_r_t_11 = 0.0_dp
98077  s_r_t2_11 = 0.0_dp
98078  r_tmp = r_offset + r1*zeta/(zeta + zetb)
98079  rr2_delta = -r_tmp/dr
98080 
98081  rr2_l = ceiling(-r_c(2) + rr2_delta)
98082  rr2_r = floor(r_c(2) + rr2_delta)
98083 
98084  r = r_tmp + (rr2_l)*dr
98085 
98086  exp2_2rdr = exp(-2*alpha*r*dr)
98087  exp2_rsq = exp(-alpha*r*r)
98088 
98089  DO rr2 = rr2_l, rr2_r
98090  r_pow_t = 1.0_dp
98091  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
98092  r_pow_t = r_pow_t*r
98093  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
98094  r_pow_t = r_pow_t*r
98095  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
98096  r_pow_t = r_pow_t*r
98097  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
98098  r_pow_t = r_pow_t*r
98099  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
98100  r_pow_t = r_pow_t*r
98101  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
98102  r_pow_t = r_pow_t*r
98103  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
98104  r_pow_t = r_pow_t*r
98105  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
98106  r_pow_t = r_pow_t*r
98107  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
98108  r_pow_t = r_pow_t*r
98109  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
98110  r_pow_t = r_pow_t*r
98111  s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
98112  r_pow_t = r_pow_t*r
98113  s_r_t_11 = s_r_t_11+r_pow_t*exp2_rsq
98114 
98115  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
98116  exp2_2rdr = exp2_2rdr*exp_2drsq
98117  r = r + dr
98118  END DO
98119 
98120  ! C --> H
98121  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
98122  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
98123  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
98124  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
98125  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
98126  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
98127  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
98128  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
98129  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
98130  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
98131  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
98132  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
98133  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
98134  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
98135  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
98136  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
98137  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
98138  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
98139  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
98140  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
98141  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
98142  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
98143  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
98144  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
98145  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
98146  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
98147  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
98148  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
98149  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
98150  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
98151  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
98152  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
98153  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
98154  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
98155  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
98156  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
98157  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
98158  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
98159  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
98160  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
98161  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
98162  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
98163  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
98164  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
98165  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
98166  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
98167  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
98168  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
98169  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
98170  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
98171  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
98172  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
98173  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
98174  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
98175  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
98176  s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
98177  s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
98178  s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
98179  s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
98180  s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
98181  s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
98182  s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
98183  s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
98184  s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
98185  s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
98186  s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
98187  s_r_t2_11 = s_r_t2_11+h_to_c_0_11*s_r_t_0
98188  s_r_t2_11 = s_r_t2_11+h_to_c_1_11*s_r_t_1
98189  s_r_t2_11 = s_r_t2_11+h_to_c_2_11*s_r_t_2
98190  s_r_t2_11 = s_r_t2_11+h_to_c_3_11*s_r_t_3
98191  s_r_t2_11 = s_r_t2_11+h_to_c_4_11*s_r_t_4
98192  s_r_t2_11 = s_r_t2_11+h_to_c_5_11*s_r_t_5
98193  s_r_t2_11 = s_r_t2_11+h_to_c_6_11*s_r_t_6
98194  s_r_t2_11 = s_r_t2_11+h_to_c_7_11*s_r_t_7
98195  s_r_t2_11 = s_r_t2_11+h_to_c_8_11*s_r_t_8
98196  s_r_t2_11 = s_r_t2_11+h_to_c_9_11*s_r_t_9
98197  s_r_t2_11 = s_r_t2_11+h_to_c_10_11*s_r_t_10
98198  s_r_t2_11 = s_r_t2_11+h_to_c_11_11*s_r_t_11
98199 
98200  ! H --> HH
98201  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
98202 
98203  c1 = 1.0_dp/(zeta + zetb)
98204  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
98205  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
98206 
98207  e_0_1_0 = zeta*( &
98208  +c2*e_0_0_0&
98209 
98210  )
98211  e_0_0_1 = zetb*( &
98212  +c3*e_0_0_0&
98213 
98214  )
98215  e_1_1_0 = zeta*( c1*e_0_0_0 &
98216 
98217 
98218  )
98219  e_1_0_1 = zetb*( c1*e_0_0_0 &
98220 
98221 
98222  )
98223  e_0_2_0 = zeta*( &
98224  +c2*e_0_1_0&
98225  +2*e_1_1_0 &
98226  -2*e_0_0_0)
98227  e_0_1_1 = zetb*( &
98228  +c3*e_0_1_0&
98229  +2*e_1_1_0 &
98230  )
98231  e_1_2_0 = zeta*( c1*e_0_1_0 &
98232  +c2*e_1_1_0&
98233 
98234  )
98235  e_1_1_1 = zetb*( c1*e_0_1_0 &
98236  +c3*e_1_1_0&
98237 
98238  )
98239  e_2_2_0 = zeta*( c1*e_1_1_0 &
98240 
98241 
98242  )
98243  e_2_1_1 = zetb*( c1*e_1_1_0 &
98244 
98245 
98246  )
98247  e_0_3_0 = zeta*( &
98248  +c2*e_0_2_0&
98249  +2*e_1_2_0 &
98250  -4*e_0_1_0)
98251  e_0_2_1 = zetb*( &
98252  +c3*e_0_2_0&
98253  +2*e_1_2_0 &
98254  )
98255  e_1_3_0 = zeta*( c1*e_0_2_0 &
98256  +c2*e_1_2_0&
98257  +4*e_2_2_0 &
98258  -4*e_1_1_0)
98259  e_1_2_1 = zetb*( c1*e_0_2_0 &
98260  +c3*e_1_2_0&
98261  +4*e_2_2_0 &
98262  )
98263  e_2_3_0 = zeta*( c1*e_1_2_0 &
98264  +c2*e_2_2_0&
98265 
98266  )
98267  e_2_2_1 = zetb*( c1*e_1_2_0 &
98268  +c3*e_2_2_0&
98269 
98270  )
98271  e_3_3_0 = zeta*( c1*e_2_2_0 &
98272 
98273 
98274  )
98275  e_3_2_1 = zetb*( c1*e_2_2_0 &
98276 
98277 
98278  )
98279  e_0_3_1 = zetb*( &
98280  +c3*e_0_3_0&
98281  +2*e_1_3_0 &
98282  )
98283  e_1_3_1 = zetb*( c1*e_0_3_0 &
98284  +c3*e_1_3_0&
98285  +4*e_2_3_0 &
98286  )
98287  e_2_3_1 = zetb*( c1*e_1_3_0 &
98288  +c3*e_2_3_0&
98289  +6*e_3_3_0 &
98290  )
98291  e_3_3_1 = zetb*( c1*e_2_3_0 &
98292  +c3*e_3_3_0&
98293 
98294  )
98295  e_4_3_1 = zetb*( c1*e_3_3_0 &
98296 
98297 
98298  )
98299  e_0_1_1 = zeta*( &
98300  +c2*e_0_0_1&
98301  +2*e_1_0_1 &
98302  )
98303  e_0_0_2 = zetb*( &
98304  +c3*e_0_0_1&
98305  +2*e_1_0_1 &
98306  -2*e_0_0_0)
98307  e_1_1_1 = zeta*( c1*e_0_0_1 &
98308  +c2*e_1_0_1&
98309 
98310  )
98311  e_1_0_2 = zetb*( c1*e_0_0_1 &
98312  +c3*e_1_0_1&
98313 
98314  )
98315  e_2_1_1 = zeta*( c1*e_1_0_1 &
98316 
98317 
98318  )
98319  e_2_0_2 = zetb*( c1*e_1_0_1 &
98320 
98321 
98322  )
98323  e_0_2_1 = zeta*( &
98324  +c2*e_0_1_1&
98325  +2*e_1_1_1 &
98326  -2*e_0_0_1)
98327  e_0_1_2 = zetb*( &
98328  +c3*e_0_1_1&
98329  +2*e_1_1_1 &
98330  -2*e_0_1_0)
98331  e_1_2_1 = zeta*( c1*e_0_1_1 &
98332  +c2*e_1_1_1&
98333  +4*e_2_1_1 &
98334  -2*e_1_0_1)
98335  e_1_1_2 = zetb*( c1*e_0_1_1 &
98336  +c3*e_1_1_1&
98337  +4*e_2_1_1 &
98338  -2*e_1_1_0)
98339  e_2_2_1 = zeta*( c1*e_1_1_1 &
98340  +c2*e_2_1_1&
98341 
98342  )
98343  e_2_1_2 = zetb*( c1*e_1_1_1 &
98344  +c3*e_2_1_1&
98345 
98346  )
98347  e_3_2_1 = zeta*( c1*e_2_1_1 &
98348 
98349 
98350  )
98351  e_3_1_2 = zetb*( c1*e_2_1_1 &
98352 
98353 
98354  )
98355  e_0_3_1 = zeta*( &
98356  +c2*e_0_2_1&
98357  +2*e_1_2_1 &
98358  -4*e_0_1_1)
98359  e_0_2_2 = zetb*( &
98360  +c3*e_0_2_1&
98361  +2*e_1_2_1 &
98362  -2*e_0_2_0)
98363  e_1_3_1 = zeta*( c1*e_0_2_1 &
98364  +c2*e_1_2_1&
98365  +4*e_2_2_1 &
98366  -4*e_1_1_1)
98367  e_1_2_2 = zetb*( c1*e_0_2_1 &
98368  +c3*e_1_2_1&
98369  +4*e_2_2_1 &
98370  -2*e_1_2_0)
98371  e_2_3_1 = zeta*( c1*e_1_2_1 &
98372  +c2*e_2_2_1&
98373  +6*e_3_2_1 &
98374  -4*e_2_1_1)
98375  e_2_2_2 = zetb*( c1*e_1_2_1 &
98376  +c3*e_2_2_1&
98377  +6*e_3_2_1 &
98378  -2*e_2_2_0)
98379  e_3_3_1 = zeta*( c1*e_2_2_1 &
98380  +c2*e_3_2_1&
98381 
98382  )
98383  e_3_2_2 = zetb*( c1*e_2_2_1 &
98384  +c3*e_3_2_1&
98385 
98386  )
98387  e_4_3_1 = zeta*( c1*e_3_2_1 &
98388 
98389 
98390  )
98391  e_4_2_2 = zetb*( c1*e_3_2_1 &
98392 
98393 
98394  )
98395  e_0_3_2 = zetb*( &
98396  +c3*e_0_3_1&
98397  +2*e_1_3_1 &
98398  -2*e_0_3_0)
98399  e_1_3_2 = zetb*( c1*e_0_3_1 &
98400  +c3*e_1_3_1&
98401  +4*e_2_3_1 &
98402  -2*e_1_3_0)
98403  e_2_3_2 = zetb*( c1*e_1_3_1 &
98404  +c3*e_2_3_1&
98405  +6*e_3_3_1 &
98406  -2*e_2_3_0)
98407  e_3_3_2 = zetb*( c1*e_2_3_1 &
98408  +c3*e_3_3_1&
98409  +8*e_4_3_1 &
98410  -2*e_3_3_0)
98411  e_4_3_2 = zetb*( c1*e_3_3_1 &
98412  +c3*e_4_3_1&
98413 
98414  )
98415  e_5_3_2 = zetb*( c1*e_4_3_1 &
98416 
98417 
98418  )
98419  e_0_1_2 = zeta*( &
98420  +c2*e_0_0_2&
98421  +2*e_1_0_2 &
98422  )
98423  e_0_0_3 = zetb*( &
98424  +c3*e_0_0_2&
98425  +2*e_1_0_2 &
98426  -4*e_0_0_1)
98427  e_1_1_2 = zeta*( c1*e_0_0_2 &
98428  +c2*e_1_0_2&
98429  +4*e_2_0_2 &
98430  )
98431  e_1_0_3 = zetb*( c1*e_0_0_2 &
98432  +c3*e_1_0_2&
98433  +4*e_2_0_2 &
98434  -4*e_1_0_1)
98435  e_2_1_2 = zeta*( c1*e_1_0_2 &
98436  +c2*e_2_0_2&
98437 
98438  )
98439  e_2_0_3 = zetb*( c1*e_1_0_2 &
98440  +c3*e_2_0_2&
98441 
98442  )
98443  e_3_1_2 = zeta*( c1*e_2_0_2 &
98444 
98445 
98446  )
98447  e_3_0_3 = zetb*( c1*e_2_0_2 &
98448 
98449 
98450  )
98451  e_0_2_2 = zeta*( &
98452  +c2*e_0_1_2&
98453  +2*e_1_1_2 &
98454  -2*e_0_0_2)
98455  e_0_1_3 = zetb*( &
98456  +c3*e_0_1_2&
98457  +2*e_1_1_2 &
98458  -4*e_0_1_1)
98459  e_1_2_2 = zeta*( c1*e_0_1_2 &
98460  +c2*e_1_1_2&
98461  +4*e_2_1_2 &
98462  -2*e_1_0_2)
98463  e_1_1_3 = zetb*( c1*e_0_1_2 &
98464  +c3*e_1_1_2&
98465  +4*e_2_1_2 &
98466  -4*e_1_1_1)
98467  e_2_2_2 = zeta*( c1*e_1_1_2 &
98468  +c2*e_2_1_2&
98469  +6*e_3_1_2 &
98470  -2*e_2_0_2)
98471  e_2_1_3 = zetb*( c1*e_1_1_2 &
98472  +c3*e_2_1_2&
98473  +6*e_3_1_2 &
98474  -4*e_2_1_1)
98475  e_3_2_2 = zeta*( c1*e_2_1_2 &
98476  +c2*e_3_1_2&
98477 
98478  )
98479  e_3_1_3 = zetb*( c1*e_2_1_2 &
98480  +c3*e_3_1_2&
98481 
98482  )
98483  e_4_2_2 = zeta*( c1*e_3_1_2 &
98484 
98485 
98486  )
98487  e_4_1_3 = zetb*( c1*e_3_1_2 &
98488 
98489 
98490  )
98491  e_0_3_2 = zeta*( &
98492  +c2*e_0_2_2&
98493  +2*e_1_2_2 &
98494  -4*e_0_1_2)
98495  e_0_2_3 = zetb*( &
98496  +c3*e_0_2_2&
98497  +2*e_1_2_2 &
98498  -4*e_0_2_1)
98499  e_1_3_2 = zeta*( c1*e_0_2_2 &
98500  +c2*e_1_2_2&
98501  +4*e_2_2_2 &
98502  -4*e_1_1_2)
98503  e_1_2_3 = zetb*( c1*e_0_2_2 &
98504  +c3*e_1_2_2&
98505  +4*e_2_2_2 &
98506  -4*e_1_2_1)
98507  e_2_3_2 = zeta*( c1*e_1_2_2 &
98508  +c2*e_2_2_2&
98509  +6*e_3_2_2 &
98510  -4*e_2_1_2)
98511  e_2_2_3 = zetb*( c1*e_1_2_2 &
98512  +c3*e_2_2_2&
98513  +6*e_3_2_2 &
98514  -4*e_2_2_1)
98515  e_3_3_2 = zeta*( c1*e_2_2_2 &
98516  +c2*e_3_2_2&
98517  +8*e_4_2_2 &
98518  -4*e_3_1_2)
98519  e_3_2_3 = zetb*( c1*e_2_2_2 &
98520  +c3*e_3_2_2&
98521  +8*e_4_2_2 &
98522  -4*e_3_2_1)
98523  e_4_3_2 = zeta*( c1*e_3_2_2 &
98524  +c2*e_4_2_2&
98525 
98526  )
98527  e_4_2_3 = zetb*( c1*e_3_2_2 &
98528  +c3*e_4_2_2&
98529 
98530  )
98531  e_5_3_2 = zeta*( c1*e_4_2_2 &
98532 
98533 
98534  )
98535  e_5_2_3 = zetb*( c1*e_4_2_2 &
98536 
98537 
98538  )
98539  e_0_3_3 = zetb*( &
98540  +c3*e_0_3_2&
98541  +2*e_1_3_2 &
98542  -4*e_0_3_1)
98543  e_1_3_3 = zetb*( c1*e_0_3_2 &
98544  +c3*e_1_3_2&
98545  +4*e_2_3_2 &
98546  -4*e_1_3_1)
98547  e_2_3_3 = zetb*( c1*e_1_3_2 &
98548  +c3*e_2_3_2&
98549  +6*e_3_3_2 &
98550  -4*e_2_3_1)
98551  e_3_3_3 = zetb*( c1*e_2_3_2 &
98552  +c3*e_3_3_2&
98553  +8*e_4_3_2 &
98554  -4*e_3_3_1)
98555  e_4_3_3 = zetb*( c1*e_3_3_2 &
98556  +c3*e_4_3_2&
98557  +10*e_5_3_2 &
98558  -4*e_4_3_1)
98559  e_5_3_3 = zetb*( c1*e_4_3_2 &
98560  +c3*e_5_3_2&
98561 
98562  )
98563  e_6_3_3 = zetb*( c1*e_5_3_2 &
98564 
98565 
98566  )
98567  e_0_1_3 = zeta*( &
98568  +c2*e_0_0_3&
98569  +2*e_1_0_3 &
98570  )
98571  e_0_0_4 = zetb*( &
98572  +c3*e_0_0_3&
98573  +2*e_1_0_3 &
98574  -6*e_0_0_2)
98575  e_1_1_3 = zeta*( c1*e_0_0_3 &
98576  +c2*e_1_0_3&
98577  +4*e_2_0_3 &
98578  )
98579  e_1_0_4 = zetb*( c1*e_0_0_3 &
98580  +c3*e_1_0_3&
98581  +4*e_2_0_3 &
98582  -6*e_1_0_2)
98583  e_2_1_3 = zeta*( c1*e_1_0_3 &
98584  +c2*e_2_0_3&
98585  +6*e_3_0_3 &
98586  )
98587  e_2_0_4 = zetb*( c1*e_1_0_3 &
98588  +c3*e_2_0_3&
98589  +6*e_3_0_3 &
98590  -6*e_2_0_2)
98591  e_3_1_3 = zeta*( c1*e_2_0_3 &
98592  +c2*e_3_0_3&
98593 
98594  )
98595  e_3_0_4 = zetb*( c1*e_2_0_3 &
98596  +c3*e_3_0_3&
98597 
98598  )
98599  e_4_1_3 = zeta*( c1*e_3_0_3 &
98600 
98601 
98602  )
98603  e_4_0_4 = zetb*( c1*e_3_0_3 &
98604 
98605 
98606  )
98607  e_0_2_3 = zeta*( &
98608  +c2*e_0_1_3&
98609  +2*e_1_1_3 &
98610  -2*e_0_0_3)
98611  e_0_1_4 = zetb*( &
98612  +c3*e_0_1_3&
98613  +2*e_1_1_3 &
98614  -6*e_0_1_2)
98615  e_1_2_3 = zeta*( c1*e_0_1_3 &
98616  +c2*e_1_1_3&
98617  +4*e_2_1_3 &
98618  -2*e_1_0_3)
98619  e_1_1_4 = zetb*( c1*e_0_1_3 &
98620  +c3*e_1_1_3&
98621  +4*e_2_1_3 &
98622  -6*e_1_1_2)
98623  e_2_2_3 = zeta*( c1*e_1_1_3 &
98624  +c2*e_2_1_3&
98625  +6*e_3_1_3 &
98626  -2*e_2_0_3)
98627  e_2_1_4 = zetb*( c1*e_1_1_3 &
98628  +c3*e_2_1_3&
98629  +6*e_3_1_3 &
98630  -6*e_2_1_2)
98631  e_3_2_3 = zeta*( c1*e_2_1_3 &
98632  +c2*e_3_1_3&
98633  +8*e_4_1_3 &
98634  -2*e_3_0_3)
98635  e_3_1_4 = zetb*( c1*e_2_1_3 &
98636  +c3*e_3_1_3&
98637  +8*e_4_1_3 &
98638  -6*e_3_1_2)
98639  e_4_2_3 = zeta*( c1*e_3_1_3 &
98640  +c2*e_4_1_3&
98641 
98642  )
98643  e_4_1_4 = zetb*( c1*e_3_1_3 &
98644  +c3*e_4_1_3&
98645 
98646  )
98647  e_5_2_3 = zeta*( c1*e_4_1_3 &
98648 
98649 
98650  )
98651  e_5_1_4 = zetb*( c1*e_4_1_3 &
98652 
98653 
98654  )
98655  e_0_3_3 = zeta*( &
98656  +c2*e_0_2_3&
98657  +2*e_1_2_3 &
98658  -4*e_0_1_3)
98659  e_0_2_4 = zetb*( &
98660  +c3*e_0_2_3&
98661  +2*e_1_2_3 &
98662  -6*e_0_2_2)
98663  e_1_3_3 = zeta*( c1*e_0_2_3 &
98664  +c2*e_1_2_3&
98665  +4*e_2_2_3 &
98666  -4*e_1_1_3)
98667  e_1_2_4 = zetb*( c1*e_0_2_3 &
98668  +c3*e_1_2_3&
98669  +4*e_2_2_3 &
98670  -6*e_1_2_2)
98671  e_2_3_3 = zeta*( c1*e_1_2_3 &
98672  +c2*e_2_2_3&
98673  +6*e_3_2_3 &
98674  -4*e_2_1_3)
98675  e_2_2_4 = zetb*( c1*e_1_2_3 &
98676  +c3*e_2_2_3&
98677  +6*e_3_2_3 &
98678  -6*e_2_2_2)
98679  e_3_3_3 = zeta*( c1*e_2_2_3 &
98680  +c2*e_3_2_3&
98681  +8*e_4_2_3 &
98682  -4*e_3_1_3)
98683  e_3_2_4 = zetb*( c1*e_2_2_3 &
98684  +c3*e_3_2_3&
98685  +8*e_4_2_3 &
98686  -6*e_3_2_2)
98687  e_4_3_3 = zeta*( c1*e_3_2_3 &
98688  +c2*e_4_2_3&
98689  +10*e_5_2_3 &
98690  -4*e_4_1_3)
98691  e_4_2_4 = zetb*( c1*e_3_2_3 &
98692  +c3*e_4_2_3&
98693  +10*e_5_2_3 &
98694  -6*e_4_2_2)
98695  e_5_3_3 = zeta*( c1*e_4_2_3 &
98696  +c2*e_5_2_3&
98697 
98698  )
98699  e_5_2_4 = zetb*( c1*e_4_2_3 &
98700  +c3*e_5_2_3&
98701 
98702  )
98703  e_6_3_3 = zeta*( c1*e_5_2_3 &
98704 
98705 
98706  )
98707  e_6_2_4 = zetb*( c1*e_5_2_3 &
98708 
98709 
98710  )
98711  e_0_3_4 = zetb*( &
98712  +c3*e_0_3_3&
98713  +2*e_1_3_3 &
98714  -6*e_0_3_2)
98715  e_1_3_4 = zetb*( c1*e_0_3_3 &
98716  +c3*e_1_3_3&
98717  +4*e_2_3_3 &
98718  -6*e_1_3_2)
98719  e_2_3_4 = zetb*( c1*e_1_3_3 &
98720  +c3*e_2_3_3&
98721  +6*e_3_3_3 &
98722  -6*e_2_3_2)
98723  e_3_3_4 = zetb*( c1*e_2_3_3 &
98724  +c3*e_3_3_3&
98725  +8*e_4_3_3 &
98726  -6*e_3_3_2)
98727  e_4_3_4 = zetb*( c1*e_3_3_3 &
98728  +c3*e_4_3_3&
98729  +10*e_5_3_3 &
98730  -6*e_4_3_2)
98731  e_5_3_4 = zetb*( c1*e_4_3_3 &
98732  +c3*e_5_3_3&
98733  +12*e_6_3_3 &
98734  -6*e_5_3_2)
98735  e_6_3_4 = zetb*( c1*e_5_3_3 &
98736  +c3*e_6_3_3&
98737 
98738  )
98739  e_7_3_4 = zetb*( c1*e_6_3_3 &
98740 
98741 
98742  )
98743  e_0_1_4 = zeta*( &
98744  +c2*e_0_0_4&
98745  +2*e_1_0_4 &
98746  )
98747  e_1_1_4 = zeta*( c1*e_0_0_4 &
98748  +c2*e_1_0_4&
98749  +4*e_2_0_4 &
98750  )
98751  e_2_1_4 = zeta*( c1*e_1_0_4 &
98752  +c2*e_2_0_4&
98753  +6*e_3_0_4 &
98754  )
98755  e_3_1_4 = zeta*( c1*e_2_0_4 &
98756  +c2*e_3_0_4&
98757  +8*e_4_0_4 &
98758  )
98759  e_4_1_4 = zeta*( c1*e_3_0_4 &
98760  +c2*e_4_0_4&
98761 
98762  )
98763  e_5_1_4 = zeta*( c1*e_4_0_4 &
98764 
98765 
98766  )
98767  e_0_2_4 = zeta*( &
98768  +c2*e_0_1_4&
98769  +2*e_1_1_4 &
98770  -2*e_0_0_4)
98771  e_1_2_4 = zeta*( c1*e_0_1_4 &
98772  +c2*e_1_1_4&
98773  +4*e_2_1_4 &
98774  -2*e_1_0_4)
98775  e_2_2_4 = zeta*( c1*e_1_1_4 &
98776  +c2*e_2_1_4&
98777  +6*e_3_1_4 &
98778  -2*e_2_0_4)
98779  e_3_2_4 = zeta*( c1*e_2_1_4 &
98780  +c2*e_3_1_4&
98781  +8*e_4_1_4 &
98782  -2*e_3_0_4)
98783  e_4_2_4 = zeta*( c1*e_3_1_4 &
98784  +c2*e_4_1_4&
98785  +10*e_5_1_4 &
98786  -2*e_4_0_4)
98787  e_5_2_4 = zeta*( c1*e_4_1_4 &
98788  +c2*e_5_1_4&
98789 
98790  )
98791  e_6_2_4 = zeta*( c1*e_5_1_4 &
98792 
98793 
98794  )
98795  e_0_3_4 = zeta*( &
98796  +c2*e_0_2_4&
98797  +2*e_1_2_4 &
98798  -4*e_0_1_4)
98799  e_1_3_4 = zeta*( c1*e_0_2_4 &
98800  +c2*e_1_2_4&
98801  +4*e_2_2_4 &
98802  -4*e_1_1_4)
98803  e_2_3_4 = zeta*( c1*e_1_2_4 &
98804  +c2*e_2_2_4&
98805  +6*e_3_2_4 &
98806  -4*e_2_1_4)
98807  e_3_3_4 = zeta*( c1*e_2_2_4 &
98808  +c2*e_3_2_4&
98809  +8*e_4_2_4 &
98810  -4*e_3_1_4)
98811  e_4_3_4 = zeta*( c1*e_3_2_4 &
98812  +c2*e_4_2_4&
98813  +10*e_5_2_4 &
98814  -4*e_4_1_4)
98815  e_5_3_4 = zeta*( c1*e_4_2_4 &
98816  +c2*e_5_2_4&
98817  +12*e_6_2_4 &
98818  -4*e_5_1_4)
98819  e_6_3_4 = zeta*( c1*e_5_2_4 &
98820  +c2*e_6_2_4&
98821 
98822  )
98823  e_7_3_4 = zeta*( c1*e_6_2_4 &
98824 
98825 
98826  )
98827 
98828  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
98829  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
98830  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
98831  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
98832  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
98833  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
98834  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
98835  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
98836  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
98837  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
98838  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
98839  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
98840  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
98841  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
98842  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
98843  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
98844  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
98845  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
98846  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
98847  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
98848  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
98849  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
98850  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
98851  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
98852  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
98853  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
98854  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
98855  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
98856  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
98857  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
98858  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
98859  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
98860  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
98861  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
98862  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
98863  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
98864  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
98865  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
98866  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
98867  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
98868  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
98869  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
98870  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
98871  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
98872  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
98873  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
98874  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
98875  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
98876  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
98877  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
98878  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
98879  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
98880  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
98881  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
98882  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
98883  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
98884  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
98885  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
98886  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
98887  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
98888  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
98889  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
98890  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
98891  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
98892  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
98893  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
98894  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
98895  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
98896  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
98897  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
98898  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
98899  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
98900  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
98901  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
98902  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
98903  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
98904  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
98905  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
98906  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
98907  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
98908  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
98909  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
98910  s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
98911  s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
98912  s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
98913  s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
98914  s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
98915  s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
98916  s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
98917  s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
98918  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
98919  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
98920  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
98921  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
98922  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
98923  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
98924  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
98925  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
98926  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
98927  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
98928  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
98929  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
98930  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
98931  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
98932  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
98933  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
98934  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
98935  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
98936  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
98937  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
98938  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
98939  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
98940  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
98941  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
98942  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
98943  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
98944  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
98945  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
98946  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
98947  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
98948  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
98949  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
98950  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
98951  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
98952  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
98953  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
98954  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
98955  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
98956  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
98957  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
98958  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
98959  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
98960  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
98961  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
98962  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
98963  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
98964  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
98965  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
98966  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
98967  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
98968  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
98969  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
98970  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
98971  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
98972  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
98973  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
98974  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
98975  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
98976  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
98977  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
98978  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
98979  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
98980  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
98981  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
98982  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
98983  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
98984  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
98985  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
98986  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
98987  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
98988  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
98989  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
98990  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
98991  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
98992  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
98993  s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
98994  s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
98995  s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
98996  s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
98997  s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
98998  s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
98999  s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
99000  s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
99001  s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
99002  s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
99003  s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
99004  s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
99005  s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
99006  s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
99007  s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
99008  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
99009  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
99010  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
99011  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
99012  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
99013  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
99014  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
99015  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
99016  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
99017  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
99018  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
99019  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
99020  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
99021  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
99022  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
99023  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
99024  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
99025  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
99026  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
99027  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
99028  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
99029  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
99030  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
99031  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
99032  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
99033  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
99034  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
99035  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
99036  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
99037  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
99038  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
99039  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
99040  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
99041  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
99042  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
99043  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
99044  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
99045  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
99046  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
99047  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
99048  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
99049  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
99050  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
99051  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
99052  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
99053  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
99054  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
99055  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
99056  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
99057  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
99058  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
99059  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
99060  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
99061  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
99062  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
99063  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
99064  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
99065  s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
99066  s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
99067  s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
99068  s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
99069  s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
99070  s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
99071  s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
99072  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
99073  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
99074  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
99075  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
99076  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
99077  s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
99078  s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
99079  s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
99080  s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
99081  s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
99082  s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
99083  s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
99084  s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
99085  s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
99086  s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
99087  s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
99088  s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
99089  s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
99090  s_r(3, 4, 2) = s_r(3, 4, 2) + e_0_3_4*(1)*s_r_t2_2 ! cost: 5 flops
99091  s_r(3, 4, 2) = s_r(3, 4, 2) + e_1_3_4*(1)*s_r_t2_3 ! cost: 5 flops
99092  s_r(3, 4, 2) = s_r(3, 4, 2) + e_2_3_4*(1)*s_r_t2_4 ! cost: 5 flops
99093  s_r(3, 4, 2) = s_r(3, 4, 2) + e_3_3_4*(1)*s_r_t2_5 ! cost: 5 flops
99094  s_r(3, 4, 2) = s_r(3, 4, 2) + e_4_3_4*(1)*s_r_t2_6 ! cost: 5 flops
99095  s_r(3, 4, 2) = s_r(3, 4, 2) + e_5_3_4*(1)*s_r_t2_7 ! cost: 5 flops
99096  s_r(3, 4, 2) = s_r(3, 4, 2) + e_6_3_4*(1)*s_r_t2_8 ! cost: 5 flops
99097  s_r(3, 4, 2) = s_r(3, 4, 2) + e_7_3_4*(1)*s_r_t2_9 ! cost: 5 flops
99098  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
99099  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
99100  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
99101  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
99102  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
99103  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
99104  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
99105  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
99106  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
99107  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
99108  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
99109  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
99110  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
99111  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
99112  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
99113  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
99114  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
99115  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
99116  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
99117  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
99118  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
99119  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
99120  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
99121  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
99122  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
99123  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
99124  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
99125  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
99126  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
99127  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
99128  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
99129  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
99130  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
99131  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
99132  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
99133  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
99134  s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
99135  s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
99136  s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
99137  s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
99138  s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
99139  s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
99140  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
99141  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
99142  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
99143  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
99144  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
99145  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
99146  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
99147  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
99148  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
99149  s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
99150  s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
99151  s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
99152  s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
99153  s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
99154  s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
99155  s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
99156  s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
99157  s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
99158  s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
99159  s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
99160  s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
99161  s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
99162  s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
99163  s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
99164  s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
99165  s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
99166  s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
99167  s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
99168  s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
99169  s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
99170  s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
99171  s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
99172  s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
99173  s_r(2, 4, 3) = s_r(2, 4, 3) + e_0_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
99174  s_r(2, 4, 3) = s_r(2, 4, 3) + e_1_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
99175  s_r(2, 4, 3) = s_r(2, 4, 3) + e_2_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
99176  s_r(2, 4, 3) = s_r(2, 4, 3) + e_3_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
99177  s_r(2, 4, 3) = s_r(2, 4, 3) + e_4_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
99178  s_r(2, 4, 3) = s_r(2, 4, 3) + e_5_2_4*(-1)*s_r_t2_8 ! cost: 5 flops
99179  s_r(2, 4, 3) = s_r(2, 4, 3) + e_6_2_4*(-1)*s_r_t2_9 ! cost: 5 flops
99180  s_r(3, 4, 3) = s_r(3, 4, 3) + e_0_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
99181  s_r(3, 4, 3) = s_r(3, 4, 3) + e_1_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
99182  s_r(3, 4, 3) = s_r(3, 4, 3) + e_2_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
99183  s_r(3, 4, 3) = s_r(3, 4, 3) + e_3_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
99184  s_r(3, 4, 3) = s_r(3, 4, 3) + e_4_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
99185  s_r(3, 4, 3) = s_r(3, 4, 3) + e_5_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
99186  s_r(3, 4, 3) = s_r(3, 4, 3) + e_6_3_4*(-1)*s_r_t2_9 ! cost: 5 flops
99187  s_r(3, 4, 3) = s_r(3, 4, 3) + e_7_3_4*(-1)*s_r_t2_10 ! cost: 5 flops
99188  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
99189  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
99190  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
99191  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
99192  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
99193  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
99194  s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
99195  s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
99196  s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
99197  s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
99198  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
99199  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
99200  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
99201  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
99202  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
99203  s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
99204  s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
99205  s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
99206  s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
99207  s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
99208  s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
99209  s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
99210  s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
99211  s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
99212  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
99213  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
99214  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
99215  s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
99216  s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
99217  s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
99218  s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
99219  s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
99220  s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
99221  s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
99222  s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
99223  s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
99224  s_r(3, 2, 4) = s_r(3, 2, 4) + e_0_3_2*(1)*s_r_t2_4 ! cost: 5 flops
99225  s_r(3, 2, 4) = s_r(3, 2, 4) + e_1_3_2*(1)*s_r_t2_5 ! cost: 5 flops
99226  s_r(3, 2, 4) = s_r(3, 2, 4) + e_2_3_2*(1)*s_r_t2_6 ! cost: 5 flops
99227  s_r(3, 2, 4) = s_r(3, 2, 4) + e_3_3_2*(1)*s_r_t2_7 ! cost: 5 flops
99228  s_r(3, 2, 4) = s_r(3, 2, 4) + e_4_3_2*(1)*s_r_t2_8 ! cost: 5 flops
99229  s_r(3, 2, 4) = s_r(3, 2, 4) + e_5_3_2*(1)*s_r_t2_9 ! cost: 5 flops
99230  s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
99231  s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
99232  s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
99233  s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
99234  s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
99235  s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
99236  s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
99237  s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
99238  s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
99239  s_r(2, 3, 4) = s_r(2, 3, 4) + e_0_2_3*(1)*s_r_t2_4 ! cost: 5 flops
99240  s_r(2, 3, 4) = s_r(2, 3, 4) + e_1_2_3*(1)*s_r_t2_5 ! cost: 5 flops
99241  s_r(2, 3, 4) = s_r(2, 3, 4) + e_2_2_3*(1)*s_r_t2_6 ! cost: 5 flops
99242  s_r(2, 3, 4) = s_r(2, 3, 4) + e_3_2_3*(1)*s_r_t2_7 ! cost: 5 flops
99243  s_r(2, 3, 4) = s_r(2, 3, 4) + e_4_2_3*(1)*s_r_t2_8 ! cost: 5 flops
99244  s_r(2, 3, 4) = s_r(2, 3, 4) + e_5_2_3*(1)*s_r_t2_9 ! cost: 5 flops
99245  s_r(3, 3, 4) = s_r(3, 3, 4) + e_0_3_3*(1)*s_r_t2_4 ! cost: 5 flops
99246  s_r(3, 3, 4) = s_r(3, 3, 4) + e_1_3_3*(1)*s_r_t2_5 ! cost: 5 flops
99247  s_r(3, 3, 4) = s_r(3, 3, 4) + e_2_3_3*(1)*s_r_t2_6 ! cost: 5 flops
99248  s_r(3, 3, 4) = s_r(3, 3, 4) + e_3_3_3*(1)*s_r_t2_7 ! cost: 5 flops
99249  s_r(3, 3, 4) = s_r(3, 3, 4) + e_4_3_3*(1)*s_r_t2_8 ! cost: 5 flops
99250  s_r(3, 3, 4) = s_r(3, 3, 4) + e_5_3_3*(1)*s_r_t2_9 ! cost: 5 flops
99251  s_r(3, 3, 4) = s_r(3, 3, 4) + e_6_3_3*(1)*s_r_t2_10 ! cost: 5 flops
99252  s_r(0, 4, 4) = s_r(0, 4, 4) + e_0_0_4*(1)*s_r_t2_4 ! cost: 5 flops
99253  s_r(0, 4, 4) = s_r(0, 4, 4) + e_1_0_4*(1)*s_r_t2_5 ! cost: 5 flops
99254  s_r(0, 4, 4) = s_r(0, 4, 4) + e_2_0_4*(1)*s_r_t2_6 ! cost: 5 flops
99255  s_r(0, 4, 4) = s_r(0, 4, 4) + e_3_0_4*(1)*s_r_t2_7 ! cost: 5 flops
99256  s_r(0, 4, 4) = s_r(0, 4, 4) + e_4_0_4*(1)*s_r_t2_8 ! cost: 5 flops
99257  s_r(1, 4, 4) = s_r(1, 4, 4) + e_0_1_4*(1)*s_r_t2_4 ! cost: 5 flops
99258  s_r(1, 4, 4) = s_r(1, 4, 4) + e_1_1_4*(1)*s_r_t2_5 ! cost: 5 flops
99259  s_r(1, 4, 4) = s_r(1, 4, 4) + e_2_1_4*(1)*s_r_t2_6 ! cost: 5 flops
99260  s_r(1, 4, 4) = s_r(1, 4, 4) + e_3_1_4*(1)*s_r_t2_7 ! cost: 5 flops
99261  s_r(1, 4, 4) = s_r(1, 4, 4) + e_4_1_4*(1)*s_r_t2_8 ! cost: 5 flops
99262  s_r(1, 4, 4) = s_r(1, 4, 4) + e_5_1_4*(1)*s_r_t2_9 ! cost: 5 flops
99263  s_r(2, 4, 4) = s_r(2, 4, 4) + e_0_2_4*(1)*s_r_t2_4 ! cost: 5 flops
99264  s_r(2, 4, 4) = s_r(2, 4, 4) + e_1_2_4*(1)*s_r_t2_5 ! cost: 5 flops
99265  s_r(2, 4, 4) = s_r(2, 4, 4) + e_2_2_4*(1)*s_r_t2_6 ! cost: 5 flops
99266  s_r(2, 4, 4) = s_r(2, 4, 4) + e_3_2_4*(1)*s_r_t2_7 ! cost: 5 flops
99267  s_r(2, 4, 4) = s_r(2, 4, 4) + e_4_2_4*(1)*s_r_t2_8 ! cost: 5 flops
99268  s_r(2, 4, 4) = s_r(2, 4, 4) + e_5_2_4*(1)*s_r_t2_9 ! cost: 5 flops
99269  s_r(2, 4, 4) = s_r(2, 4, 4) + e_6_2_4*(1)*s_r_t2_10 ! cost: 5 flops
99270  s_r(3, 4, 4) = s_r(3, 4, 4) + e_0_3_4*(1)*s_r_t2_4 ! cost: 5 flops
99271  s_r(3, 4, 4) = s_r(3, 4, 4) + e_1_3_4*(1)*s_r_t2_5 ! cost: 5 flops
99272  s_r(3, 4, 4) = s_r(3, 4, 4) + e_2_3_4*(1)*s_r_t2_6 ! cost: 5 flops
99273  s_r(3, 4, 4) = s_r(3, 4, 4) + e_3_3_4*(1)*s_r_t2_7 ! cost: 5 flops
99274  s_r(3, 4, 4) = s_r(3, 4, 4) + e_4_3_4*(1)*s_r_t2_8 ! cost: 5 flops
99275  s_r(3, 4, 4) = s_r(3, 4, 4) + e_5_3_4*(1)*s_r_t2_9 ! cost: 5 flops
99276  s_r(3, 4, 4) = s_r(3, 4, 4) + e_6_3_4*(1)*s_r_t2_10 ! cost: 5 flops
99277  s_r(3, 4, 4) = s_r(3, 4, 4) + e_7_3_4*(1)*s_r_t2_11 ! cost: 5 flops
99278  r1 = r1 + dr
99279  END DO
99280 
99281  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
99282  END SUBROUTINE
99283  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_0_0_exp_1 ( &
99284  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
99285  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
99286  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
99287  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
99288  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
99289  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
99290  r_pow_t, r_tmp, rr1_delta, rr2_delta
99291 
99292  REAL(kind=dp) :: c1, c2, c3
99293  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4
99294  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4
99295  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
99296  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4
99297  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
99298  & e_2_4_0, e_3_4_0, e_4_4_0
99299 
99300  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
99301 
99302  dr = lgth
99303  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
99304 
99305  s_r(:, :, :) = 0.0_dp
99306 
99307  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
99308 
99309  h_to_c_0_0 = sqrt(alpha/pi)
99310 
99311  h_to_c_0_1 = 0.0_dp
99312  h_to_c_1_1 = +2*alpha*h_to_c_0_0
99313  h_to_c_0_2 = -1*h_to_c_1_1
99314  h_to_c_1_2 = +2*alpha*h_to_c_0_1
99315  h_to_c_2_2 = +2*alpha*h_to_c_1_1
99316  h_to_c_0_3 = -1*h_to_c_1_2
99317  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
99318  h_to_c_2_3 = +2*alpha*h_to_c_1_2
99319  h_to_c_3_3 = +2*alpha*h_to_c_2_2
99320  h_to_c_0_4 = -1*h_to_c_1_3
99321  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
99322  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
99323  h_to_c_3_4 = +2*alpha*h_to_c_2_3
99324  h_to_c_4_4 = +2*alpha*h_to_c_3_3
99325 
99326  exp_drsq = exp(-alpha*dr*dr)
99327  exp_2drsq = exp_drsq*exp_drsq
99328 
99329  rr1_delta = (ra - rb)/dr
99330 
99331  rr1_l = ceiling(-r_c(1) + rr1_delta)
99332  rr1_r = floor(r_c(1) + rr1_delta)
99333 
99334  r1 = rr1_l*dr
99335 
99336  alpha_e = zeta*zetb/(zeta + zetb)
99337 
99338  DO rr1 = rr1_l, rr1_r
99339  s_r_t_0 = 0.0_dp
99340  s_r_t2_0 = 0.0_dp
99341  s_r_t_1 = 0.0_dp
99342  s_r_t2_1 = 0.0_dp
99343  s_r_t_2 = 0.0_dp
99344  s_r_t2_2 = 0.0_dp
99345  s_r_t_3 = 0.0_dp
99346  s_r_t2_3 = 0.0_dp
99347  s_r_t_4 = 0.0_dp
99348  s_r_t2_4 = 0.0_dp
99349  r_tmp = r_offset + r1*zeta/(zeta + zetb)
99350  rr2_delta = -r_tmp/dr
99351 
99352  rr2_l = ceiling(-r_c(2) + rr2_delta)
99353  rr2_r = floor(r_c(2) + rr2_delta)
99354 
99355  r = r_tmp + (rr2_l)*dr
99356 
99357  exp2_2rdr = exp(-2*alpha*r*dr)
99358  exp2_rsq = exp(-alpha*r*r)
99359 
99360  DO rr2 = rr2_l, rr2_r
99361  r_pow_t = 1.0_dp
99362  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
99363  r_pow_t = r_pow_t*r
99364  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
99365  r_pow_t = r_pow_t*r
99366  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
99367  r_pow_t = r_pow_t*r
99368  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
99369  r_pow_t = r_pow_t*r
99370  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
99371 
99372  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
99373  exp2_2rdr = exp2_2rdr*exp_2drsq
99374  r = r + dr
99375  END DO
99376 
99377  ! C --> H
99378  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
99379  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
99380  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
99381  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
99382  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
99383  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
99384  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
99385  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
99386  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
99387  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
99388  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
99389  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
99390  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
99391  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
99392  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
99393 
99394  ! H --> HH
99395  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
99396 
99397  c1 = 1.0_dp/(zeta + zetb)
99398  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
99399  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
99400 
99401  e_0_1_0 = zeta*( &
99402  +c2*e_0_0_0&
99403 
99404  )
99405  e_1_1_0 = zeta*( c1*e_0_0_0 &
99406 
99407 
99408  )
99409  e_0_2_0 = zeta*( &
99410  +c2*e_0_1_0&
99411  +2*e_1_1_0 &
99412  -2*e_0_0_0)
99413  e_1_2_0 = zeta*( c1*e_0_1_0 &
99414  +c2*e_1_1_0&
99415 
99416  )
99417  e_2_2_0 = zeta*( c1*e_1_1_0 &
99418 
99419 
99420  )
99421  e_0_3_0 = zeta*( &
99422  +c2*e_0_2_0&
99423  +2*e_1_2_0 &
99424  -4*e_0_1_0)
99425  e_1_3_0 = zeta*( c1*e_0_2_0 &
99426  +c2*e_1_2_0&
99427  +4*e_2_2_0 &
99428  -4*e_1_1_0)
99429  e_2_3_0 = zeta*( c1*e_1_2_0 &
99430  +c2*e_2_2_0&
99431 
99432  )
99433  e_3_3_0 = zeta*( c1*e_2_2_0 &
99434 
99435 
99436  )
99437  e_0_4_0 = zeta*( &
99438  +c2*e_0_3_0&
99439  +2*e_1_3_0 &
99440  -6*e_0_2_0)
99441  e_1_4_0 = zeta*( c1*e_0_3_0 &
99442  +c2*e_1_3_0&
99443  +4*e_2_3_0 &
99444  -6*e_1_2_0)
99445  e_2_4_0 = zeta*( c1*e_1_3_0 &
99446  +c2*e_2_3_0&
99447  +6*e_3_3_0 &
99448  -6*e_2_2_0)
99449  e_3_4_0 = zeta*( c1*e_2_3_0 &
99450  +c2*e_3_3_0&
99451 
99452  )
99453  e_4_4_0 = zeta*( c1*e_3_3_0 &
99454 
99455 
99456  )
99457 
99458  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
99459  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
99460  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
99461  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
99462  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
99463  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
99464  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
99465  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
99466  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
99467  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
99468  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
99469  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
99470  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
99471  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
99472  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
99473  r1 = r1 + dr
99474  END DO
99475 
99476  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
99477  END SUBROUTINE
99478  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_0_1_exp_1 ( &
99479  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
99480  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
99481  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
99482  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
99483  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
99484  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
99485  r_pow_t, r_tmp, rr1_delta, rr2_delta
99486 
99487  REAL(kind=dp) :: c1, c2, c3
99488  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
99489  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
99490  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
99491  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
99492  & h_to_c_4_5, h_to_c_5_5
99493  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
99494  & e_2_4_0, e_3_4_0, e_4_4_0
99495 
99496  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
99497 
99498  dr = lgth
99499  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
99500 
99501  s_r(:, :, :) = 0.0_dp
99502 
99503  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
99504 
99505  h_to_c_0_0 = sqrt(alpha/pi)
99506 
99507  h_to_c_0_1 = 0.0_dp
99508  h_to_c_1_1 = +2*alpha*h_to_c_0_0
99509  h_to_c_0_2 = -1*h_to_c_1_1
99510  h_to_c_1_2 = +2*alpha*h_to_c_0_1
99511  h_to_c_2_2 = +2*alpha*h_to_c_1_1
99512  h_to_c_0_3 = -1*h_to_c_1_2
99513  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
99514  h_to_c_2_3 = +2*alpha*h_to_c_1_2
99515  h_to_c_3_3 = +2*alpha*h_to_c_2_2
99516  h_to_c_0_4 = -1*h_to_c_1_3
99517  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
99518  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
99519  h_to_c_3_4 = +2*alpha*h_to_c_2_3
99520  h_to_c_4_4 = +2*alpha*h_to_c_3_3
99521  h_to_c_0_5 = -1*h_to_c_1_4
99522  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
99523  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
99524  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
99525  h_to_c_4_5 = +2*alpha*h_to_c_3_4
99526  h_to_c_5_5 = +2*alpha*h_to_c_4_4
99527 
99528  exp_drsq = exp(-alpha*dr*dr)
99529  exp_2drsq = exp_drsq*exp_drsq
99530 
99531  rr1_delta = (ra - rb)/dr
99532 
99533  rr1_l = ceiling(-r_c(1) + rr1_delta)
99534  rr1_r = floor(r_c(1) + rr1_delta)
99535 
99536  r1 = rr1_l*dr
99537 
99538  alpha_e = zeta*zetb/(zeta + zetb)
99539 
99540  DO rr1 = rr1_l, rr1_r
99541  s_r_t_0 = 0.0_dp
99542  s_r_t2_0 = 0.0_dp
99543  s_r_t_1 = 0.0_dp
99544  s_r_t2_1 = 0.0_dp
99545  s_r_t_2 = 0.0_dp
99546  s_r_t2_2 = 0.0_dp
99547  s_r_t_3 = 0.0_dp
99548  s_r_t2_3 = 0.0_dp
99549  s_r_t_4 = 0.0_dp
99550  s_r_t2_4 = 0.0_dp
99551  s_r_t_5 = 0.0_dp
99552  s_r_t2_5 = 0.0_dp
99553  r_tmp = r_offset + r1*zeta/(zeta + zetb)
99554  rr2_delta = -r_tmp/dr
99555 
99556  rr2_l = ceiling(-r_c(2) + rr2_delta)
99557  rr2_r = floor(r_c(2) + rr2_delta)
99558 
99559  r = r_tmp + (rr2_l)*dr
99560 
99561  exp2_2rdr = exp(-2*alpha*r*dr)
99562  exp2_rsq = exp(-alpha*r*r)
99563 
99564  DO rr2 = rr2_l, rr2_r
99565  r_pow_t = 1.0_dp
99566  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
99567  r_pow_t = r_pow_t*r
99568  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
99569  r_pow_t = r_pow_t*r
99570  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
99571  r_pow_t = r_pow_t*r
99572  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
99573  r_pow_t = r_pow_t*r
99574  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
99575  r_pow_t = r_pow_t*r
99576  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
99577 
99578  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
99579  exp2_2rdr = exp2_2rdr*exp_2drsq
99580  r = r + dr
99581  END DO
99582 
99583  ! C --> H
99584  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
99585  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
99586  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
99587  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
99588  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
99589  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
99590  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
99591  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
99592  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
99593  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
99594  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
99595  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
99596  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
99597  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
99598  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
99599  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
99600  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
99601  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
99602  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
99603  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
99604  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
99605 
99606  ! H --> HH
99607  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
99608 
99609  c1 = 1.0_dp/(zeta + zetb)
99610  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
99611  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
99612 
99613  e_0_1_0 = zeta*( &
99614  +c2*e_0_0_0&
99615 
99616  )
99617  e_1_1_0 = zeta*( c1*e_0_0_0 &
99618 
99619 
99620  )
99621  e_0_2_0 = zeta*( &
99622  +c2*e_0_1_0&
99623  +2*e_1_1_0 &
99624  -2*e_0_0_0)
99625  e_1_2_0 = zeta*( c1*e_0_1_0 &
99626  +c2*e_1_1_0&
99627 
99628  )
99629  e_2_2_0 = zeta*( c1*e_1_1_0 &
99630 
99631 
99632  )
99633  e_0_3_0 = zeta*( &
99634  +c2*e_0_2_0&
99635  +2*e_1_2_0 &
99636  -4*e_0_1_0)
99637  e_1_3_0 = zeta*( c1*e_0_2_0 &
99638  +c2*e_1_2_0&
99639  +4*e_2_2_0 &
99640  -4*e_1_1_0)
99641  e_2_3_0 = zeta*( c1*e_1_2_0 &
99642  +c2*e_2_2_0&
99643 
99644  )
99645  e_3_3_0 = zeta*( c1*e_2_2_0 &
99646 
99647 
99648  )
99649  e_0_4_0 = zeta*( &
99650  +c2*e_0_3_0&
99651  +2*e_1_3_0 &
99652  -6*e_0_2_0)
99653  e_1_4_0 = zeta*( c1*e_0_3_0 &
99654  +c2*e_1_3_0&
99655  +4*e_2_3_0 &
99656  -6*e_1_2_0)
99657  e_2_4_0 = zeta*( c1*e_1_3_0 &
99658  +c2*e_2_3_0&
99659  +6*e_3_3_0 &
99660  -6*e_2_2_0)
99661  e_3_4_0 = zeta*( c1*e_2_3_0 &
99662  +c2*e_3_3_0&
99663 
99664  )
99665  e_4_4_0 = zeta*( c1*e_3_3_0 &
99666 
99667 
99668  )
99669 
99670  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
99671  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
99672  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
99673  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
99674  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
99675  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
99676  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
99677  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
99678  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
99679  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
99680  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
99681  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
99682  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
99683  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
99684  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
99685  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
99686  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
99687  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
99688  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
99689  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
99690  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
99691  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
99692  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
99693  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
99694  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
99695  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
99696  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
99697  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
99698  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
99699  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
99700  r1 = r1 + dr
99701  END DO
99702 
99703  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
99704  END SUBROUTINE
99705  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_0_2_exp_1 ( &
99706  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
99707  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
99708  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
99709  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
99710  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
99711  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
99712  r_pow_t, r_tmp, rr1_delta, rr2_delta
99713 
99714  REAL(kind=dp) :: c1, c2, c3
99715  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
99716  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
99717  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
99718  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
99719  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
99720  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
99721  & e_2_4_0, e_3_4_0, e_4_4_0
99722 
99723  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
99724 
99725  dr = lgth
99726  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
99727 
99728  s_r(:, :, :) = 0.0_dp
99729 
99730  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
99731 
99732  h_to_c_0_0 = sqrt(alpha/pi)
99733 
99734  h_to_c_0_1 = 0.0_dp
99735  h_to_c_1_1 = +2*alpha*h_to_c_0_0
99736  h_to_c_0_2 = -1*h_to_c_1_1
99737  h_to_c_1_2 = +2*alpha*h_to_c_0_1
99738  h_to_c_2_2 = +2*alpha*h_to_c_1_1
99739  h_to_c_0_3 = -1*h_to_c_1_2
99740  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
99741  h_to_c_2_3 = +2*alpha*h_to_c_1_2
99742  h_to_c_3_3 = +2*alpha*h_to_c_2_2
99743  h_to_c_0_4 = -1*h_to_c_1_3
99744  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
99745  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
99746  h_to_c_3_4 = +2*alpha*h_to_c_2_3
99747  h_to_c_4_4 = +2*alpha*h_to_c_3_3
99748  h_to_c_0_5 = -1*h_to_c_1_4
99749  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
99750  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
99751  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
99752  h_to_c_4_5 = +2*alpha*h_to_c_3_4
99753  h_to_c_5_5 = +2*alpha*h_to_c_4_4
99754  h_to_c_0_6 = -1*h_to_c_1_5
99755  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
99756  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
99757  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
99758  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
99759  h_to_c_5_6 = +2*alpha*h_to_c_4_5
99760  h_to_c_6_6 = +2*alpha*h_to_c_5_5
99761 
99762  exp_drsq = exp(-alpha*dr*dr)
99763  exp_2drsq = exp_drsq*exp_drsq
99764 
99765  rr1_delta = (ra - rb)/dr
99766 
99767  rr1_l = ceiling(-r_c(1) + rr1_delta)
99768  rr1_r = floor(r_c(1) + rr1_delta)
99769 
99770  r1 = rr1_l*dr
99771 
99772  alpha_e = zeta*zetb/(zeta + zetb)
99773 
99774  DO rr1 = rr1_l, rr1_r
99775  s_r_t_0 = 0.0_dp
99776  s_r_t2_0 = 0.0_dp
99777  s_r_t_1 = 0.0_dp
99778  s_r_t2_1 = 0.0_dp
99779  s_r_t_2 = 0.0_dp
99780  s_r_t2_2 = 0.0_dp
99781  s_r_t_3 = 0.0_dp
99782  s_r_t2_3 = 0.0_dp
99783  s_r_t_4 = 0.0_dp
99784  s_r_t2_4 = 0.0_dp
99785  s_r_t_5 = 0.0_dp
99786  s_r_t2_5 = 0.0_dp
99787  s_r_t_6 = 0.0_dp
99788  s_r_t2_6 = 0.0_dp
99789  r_tmp = r_offset + r1*zeta/(zeta + zetb)
99790  rr2_delta = -r_tmp/dr
99791 
99792  rr2_l = ceiling(-r_c(2) + rr2_delta)
99793  rr2_r = floor(r_c(2) + rr2_delta)
99794 
99795  r = r_tmp + (rr2_l)*dr
99796 
99797  exp2_2rdr = exp(-2*alpha*r*dr)
99798  exp2_rsq = exp(-alpha*r*r)
99799 
99800  DO rr2 = rr2_l, rr2_r
99801  r_pow_t = 1.0_dp
99802  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
99803  r_pow_t = r_pow_t*r
99804  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
99805  r_pow_t = r_pow_t*r
99806  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
99807  r_pow_t = r_pow_t*r
99808  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
99809  r_pow_t = r_pow_t*r
99810  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
99811  r_pow_t = r_pow_t*r
99812  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
99813  r_pow_t = r_pow_t*r
99814  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
99815 
99816  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
99817  exp2_2rdr = exp2_2rdr*exp_2drsq
99818  r = r + dr
99819  END DO
99820 
99821  ! C --> H
99822  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
99823  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
99824  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
99825  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
99826  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
99827  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
99828  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
99829  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
99830  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
99831  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
99832  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
99833  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
99834  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
99835  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
99836  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
99837  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
99838  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
99839  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
99840  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
99841  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
99842  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
99843  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
99844  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
99845  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
99846  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
99847  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
99848  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
99849  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
99850 
99851  ! H --> HH
99852  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
99853 
99854  c1 = 1.0_dp/(zeta + zetb)
99855  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
99856  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
99857 
99858  e_0_1_0 = zeta*( &
99859  +c2*e_0_0_0&
99860 
99861  )
99862  e_1_1_0 = zeta*( c1*e_0_0_0 &
99863 
99864 
99865  )
99866  e_0_2_0 = zeta*( &
99867  +c2*e_0_1_0&
99868  +2*e_1_1_0 &
99869  -2*e_0_0_0)
99870  e_1_2_0 = zeta*( c1*e_0_1_0 &
99871  +c2*e_1_1_0&
99872 
99873  )
99874  e_2_2_0 = zeta*( c1*e_1_1_0 &
99875 
99876 
99877  )
99878  e_0_3_0 = zeta*( &
99879  +c2*e_0_2_0&
99880  +2*e_1_2_0 &
99881  -4*e_0_1_0)
99882  e_1_3_0 = zeta*( c1*e_0_2_0 &
99883  +c2*e_1_2_0&
99884  +4*e_2_2_0 &
99885  -4*e_1_1_0)
99886  e_2_3_0 = zeta*( c1*e_1_2_0 &
99887  +c2*e_2_2_0&
99888 
99889  )
99890  e_3_3_0 = zeta*( c1*e_2_2_0 &
99891 
99892 
99893  )
99894  e_0_4_0 = zeta*( &
99895  +c2*e_0_3_0&
99896  +2*e_1_3_0 &
99897  -6*e_0_2_0)
99898  e_1_4_0 = zeta*( c1*e_0_3_0 &
99899  +c2*e_1_3_0&
99900  +4*e_2_3_0 &
99901  -6*e_1_2_0)
99902  e_2_4_0 = zeta*( c1*e_1_3_0 &
99903  +c2*e_2_3_0&
99904  +6*e_3_3_0 &
99905  -6*e_2_2_0)
99906  e_3_4_0 = zeta*( c1*e_2_3_0 &
99907  +c2*e_3_3_0&
99908 
99909  )
99910  e_4_4_0 = zeta*( c1*e_3_3_0 &
99911 
99912 
99913  )
99914 
99915  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
99916  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
99917  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
99918  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
99919  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
99920  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
99921  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
99922  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
99923  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
99924  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
99925  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
99926  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
99927  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
99928  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
99929  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
99930  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
99931  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
99932  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
99933  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
99934  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
99935  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
99936  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
99937  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
99938  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
99939  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
99940  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
99941  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
99942  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
99943  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
99944  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
99945  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
99946  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
99947  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
99948  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
99949  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
99950  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
99951  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
99952  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
99953  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
99954  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
99955  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
99956  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
99957  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
99958  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
99959  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
99960  r1 = r1 + dr
99961  END DO
99962 
99963  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
99964  END SUBROUTINE
99965  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_0_3_exp_1 ( &
99966  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
99967  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
99968  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
99969  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
99970  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
99971  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
99972  r_pow_t, r_tmp, rr1_delta, rr2_delta
99973 
99974  REAL(kind=dp) :: c1, c2, c3
99975  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
99976  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
99977  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
99978  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
99979  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
99980  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
99981  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
99982  & e_2_4_0, e_3_4_0, e_4_4_0
99983 
99984  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
99985 
99986  dr = lgth
99987  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
99988 
99989  s_r(:, :, :) = 0.0_dp
99990 
99991  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
99992 
99993  h_to_c_0_0 = sqrt(alpha/pi)
99994 
99995  h_to_c_0_1 = 0.0_dp
99996  h_to_c_1_1 = +2*alpha*h_to_c_0_0
99997  h_to_c_0_2 = -1*h_to_c_1_1
99998  h_to_c_1_2 = +2*alpha*h_to_c_0_1
99999  h_to_c_2_2 = +2*alpha*h_to_c_1_1
100000  h_to_c_0_3 = -1*h_to_c_1_2
100001  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
100002  h_to_c_2_3 = +2*alpha*h_to_c_1_2
100003  h_to_c_3_3 = +2*alpha*h_to_c_2_2
100004  h_to_c_0_4 = -1*h_to_c_1_3
100005  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
100006  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
100007  h_to_c_3_4 = +2*alpha*h_to_c_2_3
100008  h_to_c_4_4 = +2*alpha*h_to_c_3_3
100009  h_to_c_0_5 = -1*h_to_c_1_4
100010  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
100011  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
100012  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
100013  h_to_c_4_5 = +2*alpha*h_to_c_3_4
100014  h_to_c_5_5 = +2*alpha*h_to_c_4_4
100015  h_to_c_0_6 = -1*h_to_c_1_5
100016  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
100017  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
100018  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
100019  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
100020  h_to_c_5_6 = +2*alpha*h_to_c_4_5
100021  h_to_c_6_6 = +2*alpha*h_to_c_5_5
100022  h_to_c_0_7 = -1*h_to_c_1_6
100023  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
100024  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
100025  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
100026  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
100027  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
100028  h_to_c_6_7 = +2*alpha*h_to_c_5_6
100029  h_to_c_7_7 = +2*alpha*h_to_c_6_6
100030 
100031  exp_drsq = exp(-alpha*dr*dr)
100032  exp_2drsq = exp_drsq*exp_drsq
100033 
100034  rr1_delta = (ra - rb)/dr
100035 
100036  rr1_l = ceiling(-r_c(1) + rr1_delta)
100037  rr1_r = floor(r_c(1) + rr1_delta)
100038 
100039  r1 = rr1_l*dr
100040 
100041  alpha_e = zeta*zetb/(zeta + zetb)
100042 
100043  DO rr1 = rr1_l, rr1_r
100044  s_r_t_0 = 0.0_dp
100045  s_r_t2_0 = 0.0_dp
100046  s_r_t_1 = 0.0_dp
100047  s_r_t2_1 = 0.0_dp
100048  s_r_t_2 = 0.0_dp
100049  s_r_t2_2 = 0.0_dp
100050  s_r_t_3 = 0.0_dp
100051  s_r_t2_3 = 0.0_dp
100052  s_r_t_4 = 0.0_dp
100053  s_r_t2_4 = 0.0_dp
100054  s_r_t_5 = 0.0_dp
100055  s_r_t2_5 = 0.0_dp
100056  s_r_t_6 = 0.0_dp
100057  s_r_t2_6 = 0.0_dp
100058  s_r_t_7 = 0.0_dp
100059  s_r_t2_7 = 0.0_dp
100060  r_tmp = r_offset + r1*zeta/(zeta + zetb)
100061  rr2_delta = -r_tmp/dr
100062 
100063  rr2_l = ceiling(-r_c(2) + rr2_delta)
100064  rr2_r = floor(r_c(2) + rr2_delta)
100065 
100066  r = r_tmp + (rr2_l)*dr
100067 
100068  exp2_2rdr = exp(-2*alpha*r*dr)
100069  exp2_rsq = exp(-alpha*r*r)
100070 
100071  DO rr2 = rr2_l, rr2_r
100072  r_pow_t = 1.0_dp
100073  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
100074  r_pow_t = r_pow_t*r
100075  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
100076  r_pow_t = r_pow_t*r
100077  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
100078  r_pow_t = r_pow_t*r
100079  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
100080  r_pow_t = r_pow_t*r
100081  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
100082  r_pow_t = r_pow_t*r
100083  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
100084  r_pow_t = r_pow_t*r
100085  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
100086  r_pow_t = r_pow_t*r
100087  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
100088 
100089  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
100090  exp2_2rdr = exp2_2rdr*exp_2drsq
100091  r = r + dr
100092  END DO
100093 
100094  ! C --> H
100095  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
100096  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
100097  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
100098  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
100099  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
100100  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
100101  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
100102  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
100103  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
100104  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
100105  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
100106  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
100107  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
100108  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
100109  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
100110  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
100111  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
100112  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
100113  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
100114  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
100115  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
100116  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
100117  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
100118  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
100119  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
100120  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
100121  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
100122  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
100123  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
100124  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
100125  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
100126  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
100127  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
100128  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
100129  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
100130  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
100131 
100132  ! H --> HH
100133  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
100134 
100135  c1 = 1.0_dp/(zeta + zetb)
100136  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
100137  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
100138 
100139  e_0_1_0 = zeta*( &
100140  +c2*e_0_0_0&
100141 
100142  )
100143  e_1_1_0 = zeta*( c1*e_0_0_0 &
100144 
100145 
100146  )
100147  e_0_2_0 = zeta*( &
100148  +c2*e_0_1_0&
100149  +2*e_1_1_0 &
100150  -2*e_0_0_0)
100151  e_1_2_0 = zeta*( c1*e_0_1_0 &
100152  +c2*e_1_1_0&
100153 
100154  )
100155  e_2_2_0 = zeta*( c1*e_1_1_0 &
100156 
100157 
100158  )
100159  e_0_3_0 = zeta*( &
100160  +c2*e_0_2_0&
100161  +2*e_1_2_0 &
100162  -4*e_0_1_0)
100163  e_1_3_0 = zeta*( c1*e_0_2_0 &
100164  +c2*e_1_2_0&
100165  +4*e_2_2_0 &
100166  -4*e_1_1_0)
100167  e_2_3_0 = zeta*( c1*e_1_2_0 &
100168  +c2*e_2_2_0&
100169 
100170  )
100171  e_3_3_0 = zeta*( c1*e_2_2_0 &
100172 
100173 
100174  )
100175  e_0_4_0 = zeta*( &
100176  +c2*e_0_3_0&
100177  +2*e_1_3_0 &
100178  -6*e_0_2_0)
100179  e_1_4_0 = zeta*( c1*e_0_3_0 &
100180  +c2*e_1_3_0&
100181  +4*e_2_3_0 &
100182  -6*e_1_2_0)
100183  e_2_4_0 = zeta*( c1*e_1_3_0 &
100184  +c2*e_2_3_0&
100185  +6*e_3_3_0 &
100186  -6*e_2_2_0)
100187  e_3_4_0 = zeta*( c1*e_2_3_0 &
100188  +c2*e_3_3_0&
100189 
100190  )
100191  e_4_4_0 = zeta*( c1*e_3_3_0 &
100192 
100193 
100194  )
100195 
100196  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
100197  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
100198  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
100199  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
100200  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
100201  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
100202  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
100203  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
100204  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
100205  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
100206  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
100207  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
100208  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
100209  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
100210  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
100211  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
100212  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
100213  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
100214  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
100215  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
100216  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
100217  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
100218  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
100219  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
100220  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
100221  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
100222  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
100223  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
100224  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
100225  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
100226  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
100227  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
100228  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
100229  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
100230  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
100231  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
100232  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
100233  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
100234  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
100235  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
100236  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
100237  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
100238  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
100239  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
100240  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
100241  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
100242  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
100243  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
100244  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
100245  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
100246  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
100247  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
100248  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
100249  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
100250  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
100251  s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
100252  s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
100253  s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
100254  s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
100255  s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
100256  r1 = r1 + dr
100257  END DO
100258 
100259  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
100260  END SUBROUTINE
100261  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_0_4_exp_1 ( &
100262  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
100263  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
100264  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
100265  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
100266  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
100267  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
100268  r_pow_t, r_tmp, rr1_delta, rr2_delta
100269 
100270  REAL(kind=dp) :: c1, c2, c3
100271  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
100272  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
100273  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
100274  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
100275  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
100276  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
100277  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
100278  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
100279  & e_2_4_0, e_3_4_0, e_4_4_0
100280 
100281  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
100282 
100283  dr = lgth
100284  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
100285 
100286  s_r(:, :, :) = 0.0_dp
100287 
100288  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
100289 
100290  h_to_c_0_0 = sqrt(alpha/pi)
100291 
100292  h_to_c_0_1 = 0.0_dp
100293  h_to_c_1_1 = +2*alpha*h_to_c_0_0
100294  h_to_c_0_2 = -1*h_to_c_1_1
100295  h_to_c_1_2 = +2*alpha*h_to_c_0_1
100296  h_to_c_2_2 = +2*alpha*h_to_c_1_1
100297  h_to_c_0_3 = -1*h_to_c_1_2
100298  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
100299  h_to_c_2_3 = +2*alpha*h_to_c_1_2
100300  h_to_c_3_3 = +2*alpha*h_to_c_2_2
100301  h_to_c_0_4 = -1*h_to_c_1_3
100302  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
100303  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
100304  h_to_c_3_4 = +2*alpha*h_to_c_2_3
100305  h_to_c_4_4 = +2*alpha*h_to_c_3_3
100306  h_to_c_0_5 = -1*h_to_c_1_4
100307  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
100308  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
100309  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
100310  h_to_c_4_5 = +2*alpha*h_to_c_3_4
100311  h_to_c_5_5 = +2*alpha*h_to_c_4_4
100312  h_to_c_0_6 = -1*h_to_c_1_5
100313  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
100314  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
100315  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
100316  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
100317  h_to_c_5_6 = +2*alpha*h_to_c_4_5
100318  h_to_c_6_6 = +2*alpha*h_to_c_5_5
100319  h_to_c_0_7 = -1*h_to_c_1_6
100320  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
100321  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
100322  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
100323  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
100324  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
100325  h_to_c_6_7 = +2*alpha*h_to_c_5_6
100326  h_to_c_7_7 = +2*alpha*h_to_c_6_6
100327  h_to_c_0_8 = -1*h_to_c_1_7
100328  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
100329  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
100330  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
100331  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
100332  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
100333  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
100334  h_to_c_7_8 = +2*alpha*h_to_c_6_7
100335  h_to_c_8_8 = +2*alpha*h_to_c_7_7
100336 
100337  exp_drsq = exp(-alpha*dr*dr)
100338  exp_2drsq = exp_drsq*exp_drsq
100339 
100340  rr1_delta = (ra - rb)/dr
100341 
100342  rr1_l = ceiling(-r_c(1) + rr1_delta)
100343  rr1_r = floor(r_c(1) + rr1_delta)
100344 
100345  r1 = rr1_l*dr
100346 
100347  alpha_e = zeta*zetb/(zeta + zetb)
100348 
100349  DO rr1 = rr1_l, rr1_r
100350  s_r_t_0 = 0.0_dp
100351  s_r_t2_0 = 0.0_dp
100352  s_r_t_1 = 0.0_dp
100353  s_r_t2_1 = 0.0_dp
100354  s_r_t_2 = 0.0_dp
100355  s_r_t2_2 = 0.0_dp
100356  s_r_t_3 = 0.0_dp
100357  s_r_t2_3 = 0.0_dp
100358  s_r_t_4 = 0.0_dp
100359  s_r_t2_4 = 0.0_dp
100360  s_r_t_5 = 0.0_dp
100361  s_r_t2_5 = 0.0_dp
100362  s_r_t_6 = 0.0_dp
100363  s_r_t2_6 = 0.0_dp
100364  s_r_t_7 = 0.0_dp
100365  s_r_t2_7 = 0.0_dp
100366  s_r_t_8 = 0.0_dp
100367  s_r_t2_8 = 0.0_dp
100368  r_tmp = r_offset + r1*zeta/(zeta + zetb)
100369  rr2_delta = -r_tmp/dr
100370 
100371  rr2_l = ceiling(-r_c(2) + rr2_delta)
100372  rr2_r = floor(r_c(2) + rr2_delta)
100373 
100374  r = r_tmp + (rr2_l)*dr
100375 
100376  exp2_2rdr = exp(-2*alpha*r*dr)
100377  exp2_rsq = exp(-alpha*r*r)
100378 
100379  DO rr2 = rr2_l, rr2_r
100380  r_pow_t = 1.0_dp
100381  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
100382  r_pow_t = r_pow_t*r
100383  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
100384  r_pow_t = r_pow_t*r
100385  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
100386  r_pow_t = r_pow_t*r
100387  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
100388  r_pow_t = r_pow_t*r
100389  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
100390  r_pow_t = r_pow_t*r
100391  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
100392  r_pow_t = r_pow_t*r
100393  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
100394  r_pow_t = r_pow_t*r
100395  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
100396  r_pow_t = r_pow_t*r
100397  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
100398 
100399  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
100400  exp2_2rdr = exp2_2rdr*exp_2drsq
100401  r = r + dr
100402  END DO
100403 
100404  ! C --> H
100405  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
100406  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
100407  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
100408  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
100409  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
100410  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
100411  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
100412  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
100413  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
100414  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
100415  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
100416  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
100417  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
100418  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
100419  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
100420  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
100421  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
100422  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
100423  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
100424  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
100425  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
100426  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
100427  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
100428  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
100429  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
100430  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
100431  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
100432  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
100433  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
100434  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
100435  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
100436  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
100437  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
100438  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
100439  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
100440  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
100441  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
100442  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
100443  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
100444  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
100445  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
100446  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
100447  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
100448  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
100449  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
100450 
100451  ! H --> HH
100452  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
100453 
100454  c1 = 1.0_dp/(zeta + zetb)
100455  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
100456  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
100457 
100458  e_0_1_0 = zeta*( &
100459  +c2*e_0_0_0&
100460 
100461  )
100462  e_1_1_0 = zeta*( c1*e_0_0_0 &
100463 
100464 
100465  )
100466  e_0_2_0 = zeta*( &
100467  +c2*e_0_1_0&
100468  +2*e_1_1_0 &
100469  -2*e_0_0_0)
100470  e_1_2_0 = zeta*( c1*e_0_1_0 &
100471  +c2*e_1_1_0&
100472 
100473  )
100474  e_2_2_0 = zeta*( c1*e_1_1_0 &
100475 
100476 
100477  )
100478  e_0_3_0 = zeta*( &
100479  +c2*e_0_2_0&
100480  +2*e_1_2_0 &
100481  -4*e_0_1_0)
100482  e_1_3_0 = zeta*( c1*e_0_2_0 &
100483  +c2*e_1_2_0&
100484  +4*e_2_2_0 &
100485  -4*e_1_1_0)
100486  e_2_3_0 = zeta*( c1*e_1_2_0 &
100487  +c2*e_2_2_0&
100488 
100489  )
100490  e_3_3_0 = zeta*( c1*e_2_2_0 &
100491 
100492 
100493  )
100494  e_0_4_0 = zeta*( &
100495  +c2*e_0_3_0&
100496  +2*e_1_3_0 &
100497  -6*e_0_2_0)
100498  e_1_4_0 = zeta*( c1*e_0_3_0 &
100499  +c2*e_1_3_0&
100500  +4*e_2_3_0 &
100501  -6*e_1_2_0)
100502  e_2_4_0 = zeta*( c1*e_1_3_0 &
100503  +c2*e_2_3_0&
100504  +6*e_3_3_0 &
100505  -6*e_2_2_0)
100506  e_3_4_0 = zeta*( c1*e_2_3_0 &
100507  +c2*e_3_3_0&
100508 
100509  )
100510  e_4_4_0 = zeta*( c1*e_3_3_0 &
100511 
100512 
100513  )
100514 
100515  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
100516  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
100517  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
100518  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
100519  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
100520  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
100521  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
100522  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
100523  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
100524  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
100525  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
100526  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
100527  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
100528  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
100529  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
100530  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
100531  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
100532  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
100533  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
100534  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
100535  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
100536  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
100537  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
100538  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
100539  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
100540  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
100541  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
100542  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
100543  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
100544  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
100545  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
100546  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
100547  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
100548  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
100549  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
100550  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
100551  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
100552  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
100553  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
100554  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
100555  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
100556  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
100557  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
100558  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
100559  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
100560  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
100561  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
100562  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
100563  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
100564  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
100565  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
100566  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
100567  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
100568  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
100569  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
100570  s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
100571  s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
100572  s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
100573  s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
100574  s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
100575  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
100576  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
100577  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
100578  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
100579  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
100580  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
100581  s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
100582  s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
100583  s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
100584  s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
100585  s_r(4, 0, 4) = s_r(4, 0, 4) + e_0_4_0*(1)*s_r_t2_4 ! cost: 5 flops
100586  s_r(4, 0, 4) = s_r(4, 0, 4) + e_1_4_0*(1)*s_r_t2_5 ! cost: 5 flops
100587  s_r(4, 0, 4) = s_r(4, 0, 4) + e_2_4_0*(1)*s_r_t2_6 ! cost: 5 flops
100588  s_r(4, 0, 4) = s_r(4, 0, 4) + e_3_4_0*(1)*s_r_t2_7 ! cost: 5 flops
100589  s_r(4, 0, 4) = s_r(4, 0, 4) + e_4_4_0*(1)*s_r_t2_8 ! cost: 5 flops
100590  r1 = r1 + dr
100591  END DO
100592 
100593  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
100594  END SUBROUTINE
100595  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_1_0_exp_1 ( &
100596  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
100597  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
100598  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
100599  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
100600  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
100601  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
100602  r_pow_t, r_tmp, rr1_delta, rr2_delta
100603 
100604  REAL(kind=dp) :: c1, c2, c3
100605  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5
100606  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5
100607  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
100608  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
100609  & h_to_c_4_5, h_to_c_5_5
100610  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
100611  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
100612  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1
100613 
100614  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
100615 
100616  dr = lgth
100617  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
100618 
100619  s_r(:, :, :) = 0.0_dp
100620 
100621  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
100622 
100623  h_to_c_0_0 = sqrt(alpha/pi)
100624 
100625  h_to_c_0_1 = 0.0_dp
100626  h_to_c_1_1 = +2*alpha*h_to_c_0_0
100627  h_to_c_0_2 = -1*h_to_c_1_1
100628  h_to_c_1_2 = +2*alpha*h_to_c_0_1
100629  h_to_c_2_2 = +2*alpha*h_to_c_1_1
100630  h_to_c_0_3 = -1*h_to_c_1_2
100631  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
100632  h_to_c_2_3 = +2*alpha*h_to_c_1_2
100633  h_to_c_3_3 = +2*alpha*h_to_c_2_2
100634  h_to_c_0_4 = -1*h_to_c_1_3
100635  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
100636  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
100637  h_to_c_3_4 = +2*alpha*h_to_c_2_3
100638  h_to_c_4_4 = +2*alpha*h_to_c_3_3
100639  h_to_c_0_5 = -1*h_to_c_1_4
100640  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
100641  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
100642  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
100643  h_to_c_4_5 = +2*alpha*h_to_c_3_4
100644  h_to_c_5_5 = +2*alpha*h_to_c_4_4
100645 
100646  exp_drsq = exp(-alpha*dr*dr)
100647  exp_2drsq = exp_drsq*exp_drsq
100648 
100649  rr1_delta = (ra - rb)/dr
100650 
100651  rr1_l = ceiling(-r_c(1) + rr1_delta)
100652  rr1_r = floor(r_c(1) + rr1_delta)
100653 
100654  r1 = rr1_l*dr
100655 
100656  alpha_e = zeta*zetb/(zeta + zetb)
100657 
100658  DO rr1 = rr1_l, rr1_r
100659  s_r_t_0 = 0.0_dp
100660  s_r_t2_0 = 0.0_dp
100661  s_r_t_1 = 0.0_dp
100662  s_r_t2_1 = 0.0_dp
100663  s_r_t_2 = 0.0_dp
100664  s_r_t2_2 = 0.0_dp
100665  s_r_t_3 = 0.0_dp
100666  s_r_t2_3 = 0.0_dp
100667  s_r_t_4 = 0.0_dp
100668  s_r_t2_4 = 0.0_dp
100669  s_r_t_5 = 0.0_dp
100670  s_r_t2_5 = 0.0_dp
100671  r_tmp = r_offset + r1*zeta/(zeta + zetb)
100672  rr2_delta = -r_tmp/dr
100673 
100674  rr2_l = ceiling(-r_c(2) + rr2_delta)
100675  rr2_r = floor(r_c(2) + rr2_delta)
100676 
100677  r = r_tmp + (rr2_l)*dr
100678 
100679  exp2_2rdr = exp(-2*alpha*r*dr)
100680  exp2_rsq = exp(-alpha*r*r)
100681 
100682  DO rr2 = rr2_l, rr2_r
100683  r_pow_t = 1.0_dp
100684  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
100685  r_pow_t = r_pow_t*r
100686  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
100687  r_pow_t = r_pow_t*r
100688  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
100689  r_pow_t = r_pow_t*r
100690  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
100691  r_pow_t = r_pow_t*r
100692  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
100693  r_pow_t = r_pow_t*r
100694  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
100695 
100696  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
100697  exp2_2rdr = exp2_2rdr*exp_2drsq
100698  r = r + dr
100699  END DO
100700 
100701  ! C --> H
100702  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
100703  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
100704  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
100705  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
100706  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
100707  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
100708  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
100709  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
100710  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
100711  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
100712  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
100713  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
100714  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
100715  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
100716  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
100717  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
100718  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
100719  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
100720  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
100721  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
100722  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
100723 
100724  ! H --> HH
100725  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
100726 
100727  c1 = 1.0_dp/(zeta + zetb)
100728  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
100729  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
100730 
100731  e_0_1_0 = zeta*( &
100732  +c2*e_0_0_0&
100733 
100734  )
100735  e_0_0_1 = zetb*( &
100736  +c3*e_0_0_0&
100737 
100738  )
100739  e_1_1_0 = zeta*( c1*e_0_0_0 &
100740 
100741 
100742  )
100743  e_1_0_1 = zetb*( c1*e_0_0_0 &
100744 
100745 
100746  )
100747  e_0_2_0 = zeta*( &
100748  +c2*e_0_1_0&
100749  +2*e_1_1_0 &
100750  -2*e_0_0_0)
100751  e_0_1_1 = zetb*( &
100752  +c3*e_0_1_0&
100753  +2*e_1_1_0 &
100754  )
100755  e_1_2_0 = zeta*( c1*e_0_1_0 &
100756  +c2*e_1_1_0&
100757 
100758  )
100759  e_1_1_1 = zetb*( c1*e_0_1_0 &
100760  +c3*e_1_1_0&
100761 
100762  )
100763  e_2_2_0 = zeta*( c1*e_1_1_0 &
100764 
100765 
100766  )
100767  e_2_1_1 = zetb*( c1*e_1_1_0 &
100768 
100769 
100770  )
100771  e_0_3_0 = zeta*( &
100772  +c2*e_0_2_0&
100773  +2*e_1_2_0 &
100774  -4*e_0_1_0)
100775  e_0_2_1 = zetb*( &
100776  +c3*e_0_2_0&
100777  +2*e_1_2_0 &
100778  )
100779  e_1_3_0 = zeta*( c1*e_0_2_0 &
100780  +c2*e_1_2_0&
100781  +4*e_2_2_0 &
100782  -4*e_1_1_0)
100783  e_1_2_1 = zetb*( c1*e_0_2_0 &
100784  +c3*e_1_2_0&
100785  +4*e_2_2_0 &
100786  )
100787  e_2_3_0 = zeta*( c1*e_1_2_0 &
100788  +c2*e_2_2_0&
100789 
100790  )
100791  e_2_2_1 = zetb*( c1*e_1_2_0 &
100792  +c3*e_2_2_0&
100793 
100794  )
100795  e_3_3_0 = zeta*( c1*e_2_2_0 &
100796 
100797 
100798  )
100799  e_3_2_1 = zetb*( c1*e_2_2_0 &
100800 
100801 
100802  )
100803  e_0_4_0 = zeta*( &
100804  +c2*e_0_3_0&
100805  +2*e_1_3_0 &
100806  -6*e_0_2_0)
100807  e_0_3_1 = zetb*( &
100808  +c3*e_0_3_0&
100809  +2*e_1_3_0 &
100810  )
100811  e_1_4_0 = zeta*( c1*e_0_3_0 &
100812  +c2*e_1_3_0&
100813  +4*e_2_3_0 &
100814  -6*e_1_2_0)
100815  e_1_3_1 = zetb*( c1*e_0_3_0 &
100816  +c3*e_1_3_0&
100817  +4*e_2_3_0 &
100818  )
100819  e_2_4_0 = zeta*( c1*e_1_3_0 &
100820  +c2*e_2_3_0&
100821  +6*e_3_3_0 &
100822  -6*e_2_2_0)
100823  e_2_3_1 = zetb*( c1*e_1_3_0 &
100824  +c3*e_2_3_0&
100825  +6*e_3_3_0 &
100826  )
100827  e_3_4_0 = zeta*( c1*e_2_3_0 &
100828  +c2*e_3_3_0&
100829 
100830  )
100831  e_3_3_1 = zetb*( c1*e_2_3_0 &
100832  +c3*e_3_3_0&
100833 
100834  )
100835  e_4_4_0 = zeta*( c1*e_3_3_0 &
100836 
100837 
100838  )
100839  e_4_3_1 = zetb*( c1*e_3_3_0 &
100840 
100841 
100842  )
100843  e_0_4_1 = zetb*( &
100844  +c3*e_0_4_0&
100845  +2*e_1_4_0 &
100846  )
100847  e_1_4_1 = zetb*( c1*e_0_4_0 &
100848  +c3*e_1_4_0&
100849  +4*e_2_4_0 &
100850  )
100851  e_2_4_1 = zetb*( c1*e_1_4_0 &
100852  +c3*e_2_4_0&
100853  +6*e_3_4_0 &
100854  )
100855  e_3_4_1 = zetb*( c1*e_2_4_0 &
100856  +c3*e_3_4_0&
100857  +8*e_4_4_0 &
100858  )
100859  e_4_4_1 = zetb*( c1*e_3_4_0 &
100860  +c3*e_4_4_0&
100861 
100862  )
100863  e_5_4_1 = zetb*( c1*e_4_4_0 &
100864 
100865 
100866  )
100867  e_0_1_1 = zeta*( &
100868  +c2*e_0_0_1&
100869  +2*e_1_0_1 &
100870  )
100871  e_1_1_1 = zeta*( c1*e_0_0_1 &
100872  +c2*e_1_0_1&
100873 
100874  )
100875  e_2_1_1 = zeta*( c1*e_1_0_1 &
100876 
100877 
100878  )
100879  e_0_2_1 = zeta*( &
100880  +c2*e_0_1_1&
100881  +2*e_1_1_1 &
100882  -2*e_0_0_1)
100883  e_1_2_1 = zeta*( c1*e_0_1_1 &
100884  +c2*e_1_1_1&
100885  +4*e_2_1_1 &
100886  -2*e_1_0_1)
100887  e_2_2_1 = zeta*( c1*e_1_1_1 &
100888  +c2*e_2_1_1&
100889 
100890  )
100891  e_3_2_1 = zeta*( c1*e_2_1_1 &
100892 
100893 
100894  )
100895  e_0_3_1 = zeta*( &
100896  +c2*e_0_2_1&
100897  +2*e_1_2_1 &
100898  -4*e_0_1_1)
100899  e_1_3_1 = zeta*( c1*e_0_2_1 &
100900  +c2*e_1_2_1&
100901  +4*e_2_2_1 &
100902  -4*e_1_1_1)
100903  e_2_3_1 = zeta*( c1*e_1_2_1 &
100904  +c2*e_2_2_1&
100905  +6*e_3_2_1 &
100906  -4*e_2_1_1)
100907  e_3_3_1 = zeta*( c1*e_2_2_1 &
100908  +c2*e_3_2_1&
100909 
100910  )
100911  e_4_3_1 = zeta*( c1*e_3_2_1 &
100912 
100913 
100914  )
100915  e_0_4_1 = zeta*( &
100916  +c2*e_0_3_1&
100917  +2*e_1_3_1 &
100918  -6*e_0_2_1)
100919  e_1_4_1 = zeta*( c1*e_0_3_1 &
100920  +c2*e_1_3_1&
100921  +4*e_2_3_1 &
100922  -6*e_1_2_1)
100923  e_2_4_1 = zeta*( c1*e_1_3_1 &
100924  +c2*e_2_3_1&
100925  +6*e_3_3_1 &
100926  -6*e_2_2_1)
100927  e_3_4_1 = zeta*( c1*e_2_3_1 &
100928  +c2*e_3_3_1&
100929  +8*e_4_3_1 &
100930  -6*e_3_2_1)
100931  e_4_4_1 = zeta*( c1*e_3_3_1 &
100932  +c2*e_4_3_1&
100933 
100934  )
100935  e_5_4_1 = zeta*( c1*e_4_3_1 &
100936 
100937 
100938  )
100939 
100940  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
100941  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
100942  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
100943  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
100944  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
100945  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
100946  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
100947  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
100948  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
100949  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
100950  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
100951  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
100952  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
100953  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
100954  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
100955  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
100956  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
100957  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
100958  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
100959  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
100960  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
100961  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
100962  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
100963  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
100964  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
100965  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
100966  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
100967  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
100968  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
100969  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
100970  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
100971  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
100972  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
100973  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
100974  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
100975  r1 = r1 + dr
100976  END DO
100977 
100978  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
100979  END SUBROUTINE
100980  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_1_1_exp_1 ( &
100981  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
100982  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
100983  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
100984  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
100985  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
100986  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
100987  r_pow_t, r_tmp, rr1_delta, rr2_delta
100988 
100989  REAL(kind=dp) :: c1, c2, c3
100990  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
100991  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
100992  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
100993  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
100994  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
100995  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
100996  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
100997  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1
100998 
100999  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
101000 
101001  dr = lgth
101002  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
101003 
101004  s_r(:, :, :) = 0.0_dp
101005 
101006  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
101007 
101008  h_to_c_0_0 = sqrt(alpha/pi)
101009 
101010  h_to_c_0_1 = 0.0_dp
101011  h_to_c_1_1 = +2*alpha*h_to_c_0_0
101012  h_to_c_0_2 = -1*h_to_c_1_1
101013  h_to_c_1_2 = +2*alpha*h_to_c_0_1
101014  h_to_c_2_2 = +2*alpha*h_to_c_1_1
101015  h_to_c_0_3 = -1*h_to_c_1_2
101016  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
101017  h_to_c_2_3 = +2*alpha*h_to_c_1_2
101018  h_to_c_3_3 = +2*alpha*h_to_c_2_2
101019  h_to_c_0_4 = -1*h_to_c_1_3
101020  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
101021  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
101022  h_to_c_3_4 = +2*alpha*h_to_c_2_3
101023  h_to_c_4_4 = +2*alpha*h_to_c_3_3
101024  h_to_c_0_5 = -1*h_to_c_1_4
101025  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
101026  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
101027  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
101028  h_to_c_4_5 = +2*alpha*h_to_c_3_4
101029  h_to_c_5_5 = +2*alpha*h_to_c_4_4
101030  h_to_c_0_6 = -1*h_to_c_1_5
101031  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
101032  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
101033  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
101034  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
101035  h_to_c_5_6 = +2*alpha*h_to_c_4_5
101036  h_to_c_6_6 = +2*alpha*h_to_c_5_5
101037 
101038  exp_drsq = exp(-alpha*dr*dr)
101039  exp_2drsq = exp_drsq*exp_drsq
101040 
101041  rr1_delta = (ra - rb)/dr
101042 
101043  rr1_l = ceiling(-r_c(1) + rr1_delta)
101044  rr1_r = floor(r_c(1) + rr1_delta)
101045 
101046  r1 = rr1_l*dr
101047 
101048  alpha_e = zeta*zetb/(zeta + zetb)
101049 
101050  DO rr1 = rr1_l, rr1_r
101051  s_r_t_0 = 0.0_dp
101052  s_r_t2_0 = 0.0_dp
101053  s_r_t_1 = 0.0_dp
101054  s_r_t2_1 = 0.0_dp
101055  s_r_t_2 = 0.0_dp
101056  s_r_t2_2 = 0.0_dp
101057  s_r_t_3 = 0.0_dp
101058  s_r_t2_3 = 0.0_dp
101059  s_r_t_4 = 0.0_dp
101060  s_r_t2_4 = 0.0_dp
101061  s_r_t_5 = 0.0_dp
101062  s_r_t2_5 = 0.0_dp
101063  s_r_t_6 = 0.0_dp
101064  s_r_t2_6 = 0.0_dp
101065  r_tmp = r_offset + r1*zeta/(zeta + zetb)
101066  rr2_delta = -r_tmp/dr
101067 
101068  rr2_l = ceiling(-r_c(2) + rr2_delta)
101069  rr2_r = floor(r_c(2) + rr2_delta)
101070 
101071  r = r_tmp + (rr2_l)*dr
101072 
101073  exp2_2rdr = exp(-2*alpha*r*dr)
101074  exp2_rsq = exp(-alpha*r*r)
101075 
101076  DO rr2 = rr2_l, rr2_r
101077  r_pow_t = 1.0_dp
101078  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
101079  r_pow_t = r_pow_t*r
101080  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
101081  r_pow_t = r_pow_t*r
101082  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
101083  r_pow_t = r_pow_t*r
101084  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
101085  r_pow_t = r_pow_t*r
101086  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
101087  r_pow_t = r_pow_t*r
101088  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
101089  r_pow_t = r_pow_t*r
101090  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
101091 
101092  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
101093  exp2_2rdr = exp2_2rdr*exp_2drsq
101094  r = r + dr
101095  END DO
101096 
101097  ! C --> H
101098  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
101099  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
101100  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
101101  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
101102  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
101103  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
101104  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
101105  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
101106  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
101107  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
101108  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
101109  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
101110  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
101111  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
101112  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
101113  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
101114  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
101115  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
101116  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
101117  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
101118  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
101119  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
101120  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
101121  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
101122  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
101123  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
101124  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
101125  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
101126 
101127  ! H --> HH
101128  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
101129 
101130  c1 = 1.0_dp/(zeta + zetb)
101131  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
101132  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
101133 
101134  e_0_1_0 = zeta*( &
101135  +c2*e_0_0_0&
101136 
101137  )
101138  e_0_0_1 = zetb*( &
101139  +c3*e_0_0_0&
101140 
101141  )
101142  e_1_1_0 = zeta*( c1*e_0_0_0 &
101143 
101144 
101145  )
101146  e_1_0_1 = zetb*( c1*e_0_0_0 &
101147 
101148 
101149  )
101150  e_0_2_0 = zeta*( &
101151  +c2*e_0_1_0&
101152  +2*e_1_1_0 &
101153  -2*e_0_0_0)
101154  e_0_1_1 = zetb*( &
101155  +c3*e_0_1_0&
101156  +2*e_1_1_0 &
101157  )
101158  e_1_2_0 = zeta*( c1*e_0_1_0 &
101159  +c2*e_1_1_0&
101160 
101161  )
101162  e_1_1_1 = zetb*( c1*e_0_1_0 &
101163  +c3*e_1_1_0&
101164 
101165  )
101166  e_2_2_0 = zeta*( c1*e_1_1_0 &
101167 
101168 
101169  )
101170  e_2_1_1 = zetb*( c1*e_1_1_0 &
101171 
101172 
101173  )
101174  e_0_3_0 = zeta*( &
101175  +c2*e_0_2_0&
101176  +2*e_1_2_0 &
101177  -4*e_0_1_0)
101178  e_0_2_1 = zetb*( &
101179  +c3*e_0_2_0&
101180  +2*e_1_2_0 &
101181  )
101182  e_1_3_0 = zeta*( c1*e_0_2_0 &
101183  +c2*e_1_2_0&
101184  +4*e_2_2_0 &
101185  -4*e_1_1_0)
101186  e_1_2_1 = zetb*( c1*e_0_2_0 &
101187  +c3*e_1_2_0&
101188  +4*e_2_2_0 &
101189  )
101190  e_2_3_0 = zeta*( c1*e_1_2_0 &
101191  +c2*e_2_2_0&
101192 
101193  )
101194  e_2_2_1 = zetb*( c1*e_1_2_0 &
101195  +c3*e_2_2_0&
101196 
101197  )
101198  e_3_3_0 = zeta*( c1*e_2_2_0 &
101199 
101200 
101201  )
101202  e_3_2_1 = zetb*( c1*e_2_2_0 &
101203 
101204 
101205  )
101206  e_0_4_0 = zeta*( &
101207  +c2*e_0_3_0&
101208  +2*e_1_3_0 &
101209  -6*e_0_2_0)
101210  e_0_3_1 = zetb*( &
101211  +c3*e_0_3_0&
101212  +2*e_1_3_0 &
101213  )
101214  e_1_4_0 = zeta*( c1*e_0_3_0 &
101215  +c2*e_1_3_0&
101216  +4*e_2_3_0 &
101217  -6*e_1_2_0)
101218  e_1_3_1 = zetb*( c1*e_0_3_0 &
101219  +c3*e_1_3_0&
101220  +4*e_2_3_0 &
101221  )
101222  e_2_4_0 = zeta*( c1*e_1_3_0 &
101223  +c2*e_2_3_0&
101224  +6*e_3_3_0 &
101225  -6*e_2_2_0)
101226  e_2_3_1 = zetb*( c1*e_1_3_0 &
101227  +c3*e_2_3_0&
101228  +6*e_3_3_0 &
101229  )
101230  e_3_4_0 = zeta*( c1*e_2_3_0 &
101231  +c2*e_3_3_0&
101232 
101233  )
101234  e_3_3_1 = zetb*( c1*e_2_3_0 &
101235  +c3*e_3_3_0&
101236 
101237  )
101238  e_4_4_0 = zeta*( c1*e_3_3_0 &
101239 
101240 
101241  )
101242  e_4_3_1 = zetb*( c1*e_3_3_0 &
101243 
101244 
101245  )
101246  e_0_4_1 = zetb*( &
101247  +c3*e_0_4_0&
101248  +2*e_1_4_0 &
101249  )
101250  e_1_4_1 = zetb*( c1*e_0_4_0 &
101251  +c3*e_1_4_0&
101252  +4*e_2_4_0 &
101253  )
101254  e_2_4_1 = zetb*( c1*e_1_4_0 &
101255  +c3*e_2_4_0&
101256  +6*e_3_4_0 &
101257  )
101258  e_3_4_1 = zetb*( c1*e_2_4_0 &
101259  +c3*e_3_4_0&
101260  +8*e_4_4_0 &
101261  )
101262  e_4_4_1 = zetb*( c1*e_3_4_0 &
101263  +c3*e_4_4_0&
101264 
101265  )
101266  e_5_4_1 = zetb*( c1*e_4_4_0 &
101267 
101268 
101269  )
101270  e_0_1_1 = zeta*( &
101271  +c2*e_0_0_1&
101272  +2*e_1_0_1 &
101273  )
101274  e_1_1_1 = zeta*( c1*e_0_0_1 &
101275  +c2*e_1_0_1&
101276 
101277  )
101278  e_2_1_1 = zeta*( c1*e_1_0_1 &
101279 
101280 
101281  )
101282  e_0_2_1 = zeta*( &
101283  +c2*e_0_1_1&
101284  +2*e_1_1_1 &
101285  -2*e_0_0_1)
101286  e_1_2_1 = zeta*( c1*e_0_1_1 &
101287  +c2*e_1_1_1&
101288  +4*e_2_1_1 &
101289  -2*e_1_0_1)
101290  e_2_2_1 = zeta*( c1*e_1_1_1 &
101291  +c2*e_2_1_1&
101292 
101293  )
101294  e_3_2_1 = zeta*( c1*e_2_1_1 &
101295 
101296 
101297  )
101298  e_0_3_1 = zeta*( &
101299  +c2*e_0_2_1&
101300  +2*e_1_2_1 &
101301  -4*e_0_1_1)
101302  e_1_3_1 = zeta*( c1*e_0_2_1 &
101303  +c2*e_1_2_1&
101304  +4*e_2_2_1 &
101305  -4*e_1_1_1)
101306  e_2_3_1 = zeta*( c1*e_1_2_1 &
101307  +c2*e_2_2_1&
101308  +6*e_3_2_1 &
101309  -4*e_2_1_1)
101310  e_3_3_1 = zeta*( c1*e_2_2_1 &
101311  +c2*e_3_2_1&
101312 
101313  )
101314  e_4_3_1 = zeta*( c1*e_3_2_1 &
101315 
101316 
101317  )
101318  e_0_4_1 = zeta*( &
101319  +c2*e_0_3_1&
101320  +2*e_1_3_1 &
101321  -6*e_0_2_1)
101322  e_1_4_1 = zeta*( c1*e_0_3_1 &
101323  +c2*e_1_3_1&
101324  +4*e_2_3_1 &
101325  -6*e_1_2_1)
101326  e_2_4_1 = zeta*( c1*e_1_3_1 &
101327  +c2*e_2_3_1&
101328  +6*e_3_3_1 &
101329  -6*e_2_2_1)
101330  e_3_4_1 = zeta*( c1*e_2_3_1 &
101331  +c2*e_3_3_1&
101332  +8*e_4_3_1 &
101333  -6*e_3_2_1)
101334  e_4_4_1 = zeta*( c1*e_3_3_1 &
101335  +c2*e_4_3_1&
101336 
101337  )
101338  e_5_4_1 = zeta*( c1*e_4_3_1 &
101339 
101340 
101341  )
101342 
101343  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
101344  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
101345  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
101346  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
101347  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
101348  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
101349  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
101350  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
101351  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
101352  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
101353  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
101354  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
101355  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
101356  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
101357  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
101358  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
101359  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
101360  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
101361  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
101362  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
101363  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
101364  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
101365  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
101366  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
101367  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
101368  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
101369  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
101370  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
101371  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
101372  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
101373  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
101374  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
101375  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
101376  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
101377  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
101378  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
101379  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
101380  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
101381  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
101382  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
101383  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
101384  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
101385  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
101386  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
101387  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
101388  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
101389  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
101390  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
101391  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
101392  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
101393  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
101394  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
101395  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
101396  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
101397  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
101398  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
101399  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
101400  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
101401  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
101402  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
101403  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
101404  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
101405  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
101406  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
101407  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
101408  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
101409  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
101410  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
101411  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
101412  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
101413  r1 = r1 + dr
101414  END DO
101415 
101416  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
101417  END SUBROUTINE
101418  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_1_2_exp_1 ( &
101419  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
101420  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
101421  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
101422  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
101423  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
101424  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
101425  r_pow_t, r_tmp, rr1_delta, rr2_delta
101426 
101427  REAL(kind=dp) :: c1, c2, c3
101428  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
101429  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
101430  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
101431  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
101432  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
101433  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
101434  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
101435  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
101436  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1
101437 
101438  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
101439 
101440  dr = lgth
101441  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
101442 
101443  s_r(:, :, :) = 0.0_dp
101444 
101445  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
101446 
101447  h_to_c_0_0 = sqrt(alpha/pi)
101448 
101449  h_to_c_0_1 = 0.0_dp
101450  h_to_c_1_1 = +2*alpha*h_to_c_0_0
101451  h_to_c_0_2 = -1*h_to_c_1_1
101452  h_to_c_1_2 = +2*alpha*h_to_c_0_1
101453  h_to_c_2_2 = +2*alpha*h_to_c_1_1
101454  h_to_c_0_3 = -1*h_to_c_1_2
101455  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
101456  h_to_c_2_3 = +2*alpha*h_to_c_1_2
101457  h_to_c_3_3 = +2*alpha*h_to_c_2_2
101458  h_to_c_0_4 = -1*h_to_c_1_3
101459  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
101460  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
101461  h_to_c_3_4 = +2*alpha*h_to_c_2_3
101462  h_to_c_4_4 = +2*alpha*h_to_c_3_3
101463  h_to_c_0_5 = -1*h_to_c_1_4
101464  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
101465  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
101466  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
101467  h_to_c_4_5 = +2*alpha*h_to_c_3_4
101468  h_to_c_5_5 = +2*alpha*h_to_c_4_4
101469  h_to_c_0_6 = -1*h_to_c_1_5
101470  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
101471  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
101472  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
101473  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
101474  h_to_c_5_6 = +2*alpha*h_to_c_4_5
101475  h_to_c_6_6 = +2*alpha*h_to_c_5_5
101476  h_to_c_0_7 = -1*h_to_c_1_6
101477  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
101478  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
101479  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
101480  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
101481  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
101482  h_to_c_6_7 = +2*alpha*h_to_c_5_6
101483  h_to_c_7_7 = +2*alpha*h_to_c_6_6
101484 
101485  exp_drsq = exp(-alpha*dr*dr)
101486  exp_2drsq = exp_drsq*exp_drsq
101487 
101488  rr1_delta = (ra - rb)/dr
101489 
101490  rr1_l = ceiling(-r_c(1) + rr1_delta)
101491  rr1_r = floor(r_c(1) + rr1_delta)
101492 
101493  r1 = rr1_l*dr
101494 
101495  alpha_e = zeta*zetb/(zeta + zetb)
101496 
101497  DO rr1 = rr1_l, rr1_r
101498  s_r_t_0 = 0.0_dp
101499  s_r_t2_0 = 0.0_dp
101500  s_r_t_1 = 0.0_dp
101501  s_r_t2_1 = 0.0_dp
101502  s_r_t_2 = 0.0_dp
101503  s_r_t2_2 = 0.0_dp
101504  s_r_t_3 = 0.0_dp
101505  s_r_t2_3 = 0.0_dp
101506  s_r_t_4 = 0.0_dp
101507  s_r_t2_4 = 0.0_dp
101508  s_r_t_5 = 0.0_dp
101509  s_r_t2_5 = 0.0_dp
101510  s_r_t_6 = 0.0_dp
101511  s_r_t2_6 = 0.0_dp
101512  s_r_t_7 = 0.0_dp
101513  s_r_t2_7 = 0.0_dp
101514  r_tmp = r_offset + r1*zeta/(zeta + zetb)
101515  rr2_delta = -r_tmp/dr
101516 
101517  rr2_l = ceiling(-r_c(2) + rr2_delta)
101518  rr2_r = floor(r_c(2) + rr2_delta)
101519 
101520  r = r_tmp + (rr2_l)*dr
101521 
101522  exp2_2rdr = exp(-2*alpha*r*dr)
101523  exp2_rsq = exp(-alpha*r*r)
101524 
101525  DO rr2 = rr2_l, rr2_r
101526  r_pow_t = 1.0_dp
101527  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
101528  r_pow_t = r_pow_t*r
101529  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
101530  r_pow_t = r_pow_t*r
101531  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
101532  r_pow_t = r_pow_t*r
101533  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
101534  r_pow_t = r_pow_t*r
101535  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
101536  r_pow_t = r_pow_t*r
101537  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
101538  r_pow_t = r_pow_t*r
101539  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
101540  r_pow_t = r_pow_t*r
101541  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
101542 
101543  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
101544  exp2_2rdr = exp2_2rdr*exp_2drsq
101545  r = r + dr
101546  END DO
101547 
101548  ! C --> H
101549  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
101550  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
101551  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
101552  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
101553  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
101554  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
101555  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
101556  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
101557  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
101558  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
101559  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
101560  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
101561  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
101562  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
101563  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
101564  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
101565  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
101566  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
101567  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
101568  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
101569  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
101570  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
101571  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
101572  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
101573  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
101574  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
101575  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
101576  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
101577  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
101578  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
101579  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
101580  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
101581  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
101582  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
101583  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
101584  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
101585 
101586  ! H --> HH
101587  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
101588 
101589  c1 = 1.0_dp/(zeta + zetb)
101590  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
101591  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
101592 
101593  e_0_1_0 = zeta*( &
101594  +c2*e_0_0_0&
101595 
101596  )
101597  e_0_0_1 = zetb*( &
101598  +c3*e_0_0_0&
101599 
101600  )
101601  e_1_1_0 = zeta*( c1*e_0_0_0 &
101602 
101603 
101604  )
101605  e_1_0_1 = zetb*( c1*e_0_0_0 &
101606 
101607 
101608  )
101609  e_0_2_0 = zeta*( &
101610  +c2*e_0_1_0&
101611  +2*e_1_1_0 &
101612  -2*e_0_0_0)
101613  e_0_1_1 = zetb*( &
101614  +c3*e_0_1_0&
101615  +2*e_1_1_0 &
101616  )
101617  e_1_2_0 = zeta*( c1*e_0_1_0 &
101618  +c2*e_1_1_0&
101619 
101620  )
101621  e_1_1_1 = zetb*( c1*e_0_1_0 &
101622  +c3*e_1_1_0&
101623 
101624  )
101625  e_2_2_0 = zeta*( c1*e_1_1_0 &
101626 
101627 
101628  )
101629  e_2_1_1 = zetb*( c1*e_1_1_0 &
101630 
101631 
101632  )
101633  e_0_3_0 = zeta*( &
101634  +c2*e_0_2_0&
101635  +2*e_1_2_0 &
101636  -4*e_0_1_0)
101637  e_0_2_1 = zetb*( &
101638  +c3*e_0_2_0&
101639  +2*e_1_2_0 &
101640  )
101641  e_1_3_0 = zeta*( c1*e_0_2_0 &
101642  +c2*e_1_2_0&
101643  +4*e_2_2_0 &
101644  -4*e_1_1_0)
101645  e_1_2_1 = zetb*( c1*e_0_2_0 &
101646  +c3*e_1_2_0&
101647  +4*e_2_2_0 &
101648  )
101649  e_2_3_0 = zeta*( c1*e_1_2_0 &
101650  +c2*e_2_2_0&
101651 
101652  )
101653  e_2_2_1 = zetb*( c1*e_1_2_0 &
101654  +c3*e_2_2_0&
101655 
101656  )
101657  e_3_3_0 = zeta*( c1*e_2_2_0 &
101658 
101659 
101660  )
101661  e_3_2_1 = zetb*( c1*e_2_2_0 &
101662 
101663 
101664  )
101665  e_0_4_0 = zeta*( &
101666  +c2*e_0_3_0&
101667  +2*e_1_3_0 &
101668  -6*e_0_2_0)
101669  e_0_3_1 = zetb*( &
101670  +c3*e_0_3_0&
101671  +2*e_1_3_0 &
101672  )
101673  e_1_4_0 = zeta*( c1*e_0_3_0 &
101674  +c2*e_1_3_0&
101675  +4*e_2_3_0 &
101676  -6*e_1_2_0)
101677  e_1_3_1 = zetb*( c1*e_0_3_0 &
101678  +c3*e_1_3_0&
101679  +4*e_2_3_0 &
101680  )
101681  e_2_4_0 = zeta*( c1*e_1_3_0 &
101682  +c2*e_2_3_0&
101683  +6*e_3_3_0 &
101684  -6*e_2_2_0)
101685  e_2_3_1 = zetb*( c1*e_1_3_0 &
101686  +c3*e_2_3_0&
101687  +6*e_3_3_0 &
101688  )
101689  e_3_4_0 = zeta*( c1*e_2_3_0 &
101690  +c2*e_3_3_0&
101691 
101692  )
101693  e_3_3_1 = zetb*( c1*e_2_3_0 &
101694  +c3*e_3_3_0&
101695 
101696  )
101697  e_4_4_0 = zeta*( c1*e_3_3_0 &
101698 
101699 
101700  )
101701  e_4_3_1 = zetb*( c1*e_3_3_0 &
101702 
101703 
101704  )
101705  e_0_4_1 = zetb*( &
101706  +c3*e_0_4_0&
101707  +2*e_1_4_0 &
101708  )
101709  e_1_4_1 = zetb*( c1*e_0_4_0 &
101710  +c3*e_1_4_0&
101711  +4*e_2_4_0 &
101712  )
101713  e_2_4_1 = zetb*( c1*e_1_4_0 &
101714  +c3*e_2_4_0&
101715  +6*e_3_4_0 &
101716  )
101717  e_3_4_1 = zetb*( c1*e_2_4_0 &
101718  +c3*e_3_4_0&
101719  +8*e_4_4_0 &
101720  )
101721  e_4_4_1 = zetb*( c1*e_3_4_0 &
101722  +c3*e_4_4_0&
101723 
101724  )
101725  e_5_4_1 = zetb*( c1*e_4_4_0 &
101726 
101727 
101728  )
101729  e_0_1_1 = zeta*( &
101730  +c2*e_0_0_1&
101731  +2*e_1_0_1 &
101732  )
101733  e_1_1_1 = zeta*( c1*e_0_0_1 &
101734  +c2*e_1_0_1&
101735 
101736  )
101737  e_2_1_1 = zeta*( c1*e_1_0_1 &
101738 
101739 
101740  )
101741  e_0_2_1 = zeta*( &
101742  +c2*e_0_1_1&
101743  +2*e_1_1_1 &
101744  -2*e_0_0_1)
101745  e_1_2_1 = zeta*( c1*e_0_1_1 &
101746  +c2*e_1_1_1&
101747  +4*e_2_1_1 &
101748  -2*e_1_0_1)
101749  e_2_2_1 = zeta*( c1*e_1_1_1 &
101750  +c2*e_2_1_1&
101751 
101752  )
101753  e_3_2_1 = zeta*( c1*e_2_1_1 &
101754 
101755 
101756  )
101757  e_0_3_1 = zeta*( &
101758  +c2*e_0_2_1&
101759  +2*e_1_2_1 &
101760  -4*e_0_1_1)
101761  e_1_3_1 = zeta*( c1*e_0_2_1 &
101762  +c2*e_1_2_1&
101763  +4*e_2_2_1 &
101764  -4*e_1_1_1)
101765  e_2_3_1 = zeta*( c1*e_1_2_1 &
101766  +c2*e_2_2_1&
101767  +6*e_3_2_1 &
101768  -4*e_2_1_1)
101769  e_3_3_1 = zeta*( c1*e_2_2_1 &
101770  +c2*e_3_2_1&
101771 
101772  )
101773  e_4_3_1 = zeta*( c1*e_3_2_1 &
101774 
101775 
101776  )
101777  e_0_4_1 = zeta*( &
101778  +c2*e_0_3_1&
101779  +2*e_1_3_1 &
101780  -6*e_0_2_1)
101781  e_1_4_1 = zeta*( c1*e_0_3_1 &
101782  +c2*e_1_3_1&
101783  +4*e_2_3_1 &
101784  -6*e_1_2_1)
101785  e_2_4_1 = zeta*( c1*e_1_3_1 &
101786  +c2*e_2_3_1&
101787  +6*e_3_3_1 &
101788  -6*e_2_2_1)
101789  e_3_4_1 = zeta*( c1*e_2_3_1 &
101790  +c2*e_3_3_1&
101791  +8*e_4_3_1 &
101792  -6*e_3_2_1)
101793  e_4_4_1 = zeta*( c1*e_3_3_1 &
101794  +c2*e_4_3_1&
101795 
101796  )
101797  e_5_4_1 = zeta*( c1*e_4_3_1 &
101798 
101799 
101800  )
101801 
101802  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
101803  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
101804  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
101805  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
101806  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
101807  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
101808  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
101809  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
101810  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
101811  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
101812  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
101813  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
101814  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
101815  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
101816  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
101817  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
101818  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
101819  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
101820  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
101821  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
101822  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
101823  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
101824  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
101825  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
101826  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
101827  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
101828  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
101829  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
101830  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
101831  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
101832  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
101833  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
101834  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
101835  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
101836  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
101837  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
101838  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
101839  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
101840  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
101841  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
101842  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
101843  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
101844  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
101845  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
101846  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
101847  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
101848  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
101849  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
101850  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
101851  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
101852  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
101853  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
101854  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
101855  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
101856  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
101857  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
101858  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
101859  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
101860  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
101861  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
101862  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
101863  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
101864  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
101865  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
101866  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
101867  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
101868  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
101869  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
101870  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
101871  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
101872  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
101873  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
101874  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
101875  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
101876  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
101877  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
101878  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
101879  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
101880  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
101881  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
101882  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
101883  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
101884  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
101885  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
101886  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
101887  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
101888  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
101889  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
101890  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
101891  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
101892  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
101893  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
101894  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
101895  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
101896  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
101897  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
101898  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
101899  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
101900  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
101901  s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
101902  s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
101903  s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
101904  s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
101905  s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
101906  s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
101907  r1 = r1 + dr
101908  END DO
101909 
101910  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
101911  END SUBROUTINE
101912  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_1_3_exp_1 ( &
101913  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
101914  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
101915  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
101916  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
101917  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
101918  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
101919  r_pow_t, r_tmp, rr1_delta, rr2_delta
101920 
101921  REAL(kind=dp) :: c1, c2, c3
101922  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
101923  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
101924  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
101925  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
101926  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
101927  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
101928  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
101929  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
101930  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
101931  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1
101932 
101933  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
101934 
101935  dr = lgth
101936  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
101937 
101938  s_r(:, :, :) = 0.0_dp
101939 
101940  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
101941 
101942  h_to_c_0_0 = sqrt(alpha/pi)
101943 
101944  h_to_c_0_1 = 0.0_dp
101945  h_to_c_1_1 = +2*alpha*h_to_c_0_0
101946  h_to_c_0_2 = -1*h_to_c_1_1
101947  h_to_c_1_2 = +2*alpha*h_to_c_0_1
101948  h_to_c_2_2 = +2*alpha*h_to_c_1_1
101949  h_to_c_0_3 = -1*h_to_c_1_2
101950  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
101951  h_to_c_2_3 = +2*alpha*h_to_c_1_2
101952  h_to_c_3_3 = +2*alpha*h_to_c_2_2
101953  h_to_c_0_4 = -1*h_to_c_1_3
101954  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
101955  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
101956  h_to_c_3_4 = +2*alpha*h_to_c_2_3
101957  h_to_c_4_4 = +2*alpha*h_to_c_3_3
101958  h_to_c_0_5 = -1*h_to_c_1_4
101959  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
101960  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
101961  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
101962  h_to_c_4_5 = +2*alpha*h_to_c_3_4
101963  h_to_c_5_5 = +2*alpha*h_to_c_4_4
101964  h_to_c_0_6 = -1*h_to_c_1_5
101965  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
101966  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
101967  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
101968  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
101969  h_to_c_5_6 = +2*alpha*h_to_c_4_5
101970  h_to_c_6_6 = +2*alpha*h_to_c_5_5
101971  h_to_c_0_7 = -1*h_to_c_1_6
101972  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
101973  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
101974  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
101975  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
101976  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
101977  h_to_c_6_7 = +2*alpha*h_to_c_5_6
101978  h_to_c_7_7 = +2*alpha*h_to_c_6_6
101979  h_to_c_0_8 = -1*h_to_c_1_7
101980  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
101981  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
101982  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
101983  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
101984  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
101985  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
101986  h_to_c_7_8 = +2*alpha*h_to_c_6_7
101987  h_to_c_8_8 = +2*alpha*h_to_c_7_7
101988 
101989  exp_drsq = exp(-alpha*dr*dr)
101990  exp_2drsq = exp_drsq*exp_drsq
101991 
101992  rr1_delta = (ra - rb)/dr
101993 
101994  rr1_l = ceiling(-r_c(1) + rr1_delta)
101995  rr1_r = floor(r_c(1) + rr1_delta)
101996 
101997  r1 = rr1_l*dr
101998 
101999  alpha_e = zeta*zetb/(zeta + zetb)
102000 
102001  DO rr1 = rr1_l, rr1_r
102002  s_r_t_0 = 0.0_dp
102003  s_r_t2_0 = 0.0_dp
102004  s_r_t_1 = 0.0_dp
102005  s_r_t2_1 = 0.0_dp
102006  s_r_t_2 = 0.0_dp
102007  s_r_t2_2 = 0.0_dp
102008  s_r_t_3 = 0.0_dp
102009  s_r_t2_3 = 0.0_dp
102010  s_r_t_4 = 0.0_dp
102011  s_r_t2_4 = 0.0_dp
102012  s_r_t_5 = 0.0_dp
102013  s_r_t2_5 = 0.0_dp
102014  s_r_t_6 = 0.0_dp
102015  s_r_t2_6 = 0.0_dp
102016  s_r_t_7 = 0.0_dp
102017  s_r_t2_7 = 0.0_dp
102018  s_r_t_8 = 0.0_dp
102019  s_r_t2_8 = 0.0_dp
102020  r_tmp = r_offset + r1*zeta/(zeta + zetb)
102021  rr2_delta = -r_tmp/dr
102022 
102023  rr2_l = ceiling(-r_c(2) + rr2_delta)
102024  rr2_r = floor(r_c(2) + rr2_delta)
102025 
102026  r = r_tmp + (rr2_l)*dr
102027 
102028  exp2_2rdr = exp(-2*alpha*r*dr)
102029  exp2_rsq = exp(-alpha*r*r)
102030 
102031  DO rr2 = rr2_l, rr2_r
102032  r_pow_t = 1.0_dp
102033  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
102034  r_pow_t = r_pow_t*r
102035  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
102036  r_pow_t = r_pow_t*r
102037  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
102038  r_pow_t = r_pow_t*r
102039  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
102040  r_pow_t = r_pow_t*r
102041  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
102042  r_pow_t = r_pow_t*r
102043  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
102044  r_pow_t = r_pow_t*r
102045  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
102046  r_pow_t = r_pow_t*r
102047  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
102048  r_pow_t = r_pow_t*r
102049  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
102050 
102051  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
102052  exp2_2rdr = exp2_2rdr*exp_2drsq
102053  r = r + dr
102054  END DO
102055 
102056  ! C --> H
102057  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
102058  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
102059  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
102060  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
102061  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
102062  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
102063  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
102064  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
102065  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
102066  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
102067  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
102068  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
102069  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
102070  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
102071  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
102072  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
102073  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
102074  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
102075  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
102076  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
102077  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
102078  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
102079  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
102080  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
102081  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
102082  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
102083  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
102084  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
102085  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
102086  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
102087  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
102088  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
102089  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
102090  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
102091  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
102092  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
102093  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
102094  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
102095  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
102096  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
102097  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
102098  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
102099  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
102100  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
102101  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
102102 
102103  ! H --> HH
102104  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
102105 
102106  c1 = 1.0_dp/(zeta + zetb)
102107  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
102108  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
102109 
102110  e_0_1_0 = zeta*( &
102111  +c2*e_0_0_0&
102112 
102113  )
102114  e_0_0_1 = zetb*( &
102115  +c3*e_0_0_0&
102116 
102117  )
102118  e_1_1_0 = zeta*( c1*e_0_0_0 &
102119 
102120 
102121  )
102122  e_1_0_1 = zetb*( c1*e_0_0_0 &
102123 
102124 
102125  )
102126  e_0_2_0 = zeta*( &
102127  +c2*e_0_1_0&
102128  +2*e_1_1_0 &
102129  -2*e_0_0_0)
102130  e_0_1_1 = zetb*( &
102131  +c3*e_0_1_0&
102132  +2*e_1_1_0 &
102133  )
102134  e_1_2_0 = zeta*( c1*e_0_1_0 &
102135  +c2*e_1_1_0&
102136 
102137  )
102138  e_1_1_1 = zetb*( c1*e_0_1_0 &
102139  +c3*e_1_1_0&
102140 
102141  )
102142  e_2_2_0 = zeta*( c1*e_1_1_0 &
102143 
102144 
102145  )
102146  e_2_1_1 = zetb*( c1*e_1_1_0 &
102147 
102148 
102149  )
102150  e_0_3_0 = zeta*( &
102151  +c2*e_0_2_0&
102152  +2*e_1_2_0 &
102153  -4*e_0_1_0)
102154  e_0_2_1 = zetb*( &
102155  +c3*e_0_2_0&
102156  +2*e_1_2_0 &
102157  )
102158  e_1_3_0 = zeta*( c1*e_0_2_0 &
102159  +c2*e_1_2_0&
102160  +4*e_2_2_0 &
102161  -4*e_1_1_0)
102162  e_1_2_1 = zetb*( c1*e_0_2_0 &
102163  +c3*e_1_2_0&
102164  +4*e_2_2_0 &
102165  )
102166  e_2_3_0 = zeta*( c1*e_1_2_0 &
102167  +c2*e_2_2_0&
102168 
102169  )
102170  e_2_2_1 = zetb*( c1*e_1_2_0 &
102171  +c3*e_2_2_0&
102172 
102173  )
102174  e_3_3_0 = zeta*( c1*e_2_2_0 &
102175 
102176 
102177  )
102178  e_3_2_1 = zetb*( c1*e_2_2_0 &
102179 
102180 
102181  )
102182  e_0_4_0 = zeta*( &
102183  +c2*e_0_3_0&
102184  +2*e_1_3_0 &
102185  -6*e_0_2_0)
102186  e_0_3_1 = zetb*( &
102187  +c3*e_0_3_0&
102188  +2*e_1_3_0 &
102189  )
102190  e_1_4_0 = zeta*( c1*e_0_3_0 &
102191  +c2*e_1_3_0&
102192  +4*e_2_3_0 &
102193  -6*e_1_2_0)
102194  e_1_3_1 = zetb*( c1*e_0_3_0 &
102195  +c3*e_1_3_0&
102196  +4*e_2_3_0 &
102197  )
102198  e_2_4_0 = zeta*( c1*e_1_3_0 &
102199  +c2*e_2_3_0&
102200  +6*e_3_3_0 &
102201  -6*e_2_2_0)
102202  e_2_3_1 = zetb*( c1*e_1_3_0 &
102203  +c3*e_2_3_0&
102204  +6*e_3_3_0 &
102205  )
102206  e_3_4_0 = zeta*( c1*e_2_3_0 &
102207  +c2*e_3_3_0&
102208 
102209  )
102210  e_3_3_1 = zetb*( c1*e_2_3_0 &
102211  +c3*e_3_3_0&
102212 
102213  )
102214  e_4_4_0 = zeta*( c1*e_3_3_0 &
102215 
102216 
102217  )
102218  e_4_3_1 = zetb*( c1*e_3_3_0 &
102219 
102220 
102221  )
102222  e_0_4_1 = zetb*( &
102223  +c3*e_0_4_0&
102224  +2*e_1_4_0 &
102225  )
102226  e_1_4_1 = zetb*( c1*e_0_4_0 &
102227  +c3*e_1_4_0&
102228  +4*e_2_4_0 &
102229  )
102230  e_2_4_1 = zetb*( c1*e_1_4_0 &
102231  +c3*e_2_4_0&
102232  +6*e_3_4_0 &
102233  )
102234  e_3_4_1 = zetb*( c1*e_2_4_0 &
102235  +c3*e_3_4_0&
102236  +8*e_4_4_0 &
102237  )
102238  e_4_4_1 = zetb*( c1*e_3_4_0 &
102239  +c3*e_4_4_0&
102240 
102241  )
102242  e_5_4_1 = zetb*( c1*e_4_4_0 &
102243 
102244 
102245  )
102246  e_0_1_1 = zeta*( &
102247  +c2*e_0_0_1&
102248  +2*e_1_0_1 &
102249  )
102250  e_1_1_1 = zeta*( c1*e_0_0_1 &
102251  +c2*e_1_0_1&
102252 
102253  )
102254  e_2_1_1 = zeta*( c1*e_1_0_1 &
102255 
102256 
102257  )
102258  e_0_2_1 = zeta*( &
102259  +c2*e_0_1_1&
102260  +2*e_1_1_1 &
102261  -2*e_0_0_1)
102262  e_1_2_1 = zeta*( c1*e_0_1_1 &
102263  +c2*e_1_1_1&
102264  +4*e_2_1_1 &
102265  -2*e_1_0_1)
102266  e_2_2_1 = zeta*( c1*e_1_1_1 &
102267  +c2*e_2_1_1&
102268 
102269  )
102270  e_3_2_1 = zeta*( c1*e_2_1_1 &
102271 
102272 
102273  )
102274  e_0_3_1 = zeta*( &
102275  +c2*e_0_2_1&
102276  +2*e_1_2_1 &
102277  -4*e_0_1_1)
102278  e_1_3_1 = zeta*( c1*e_0_2_1 &
102279  +c2*e_1_2_1&
102280  +4*e_2_2_1 &
102281  -4*e_1_1_1)
102282  e_2_3_1 = zeta*( c1*e_1_2_1 &
102283  +c2*e_2_2_1&
102284  +6*e_3_2_1 &
102285  -4*e_2_1_1)
102286  e_3_3_1 = zeta*( c1*e_2_2_1 &
102287  +c2*e_3_2_1&
102288 
102289  )
102290  e_4_3_1 = zeta*( c1*e_3_2_1 &
102291 
102292 
102293  )
102294  e_0_4_1 = zeta*( &
102295  +c2*e_0_3_1&
102296  +2*e_1_3_1 &
102297  -6*e_0_2_1)
102298  e_1_4_1 = zeta*( c1*e_0_3_1 &
102299  +c2*e_1_3_1&
102300  +4*e_2_3_1 &
102301  -6*e_1_2_1)
102302  e_2_4_1 = zeta*( c1*e_1_3_1 &
102303  +c2*e_2_3_1&
102304  +6*e_3_3_1 &
102305  -6*e_2_2_1)
102306  e_3_4_1 = zeta*( c1*e_2_3_1 &
102307  +c2*e_3_3_1&
102308  +8*e_4_3_1 &
102309  -6*e_3_2_1)
102310  e_4_4_1 = zeta*( c1*e_3_3_1 &
102311  +c2*e_4_3_1&
102312 
102313  )
102314  e_5_4_1 = zeta*( c1*e_4_3_1 &
102315 
102316 
102317  )
102318 
102319  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
102320  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
102321  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
102322  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
102323  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
102324  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
102325  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
102326  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
102327  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
102328  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
102329  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
102330  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
102331  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
102332  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
102333  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
102334  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
102335  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
102336  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
102337  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
102338  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
102339  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
102340  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
102341  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
102342  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
102343  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
102344  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
102345  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
102346  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
102347  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
102348  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
102349  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
102350  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
102351  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
102352  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
102353  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
102354  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
102355  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
102356  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
102357  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
102358  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
102359  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
102360  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
102361  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
102362  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
102363  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
102364  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
102365  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
102366  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
102367  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
102368  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
102369  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
102370  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
102371  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
102372  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
102373  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
102374  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
102375  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
102376  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
102377  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
102378  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
102379  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
102380  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
102381  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
102382  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
102383  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
102384  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
102385  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
102386  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
102387  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
102388  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
102389  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
102390  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
102391  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
102392  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
102393  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
102394  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
102395  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
102396  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
102397  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
102398  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
102399  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
102400  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
102401  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
102402  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
102403  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
102404  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
102405  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
102406  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
102407  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
102408  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
102409  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
102410  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
102411  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
102412  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
102413  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
102414  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
102415  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
102416  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
102417  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
102418  s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
102419  s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
102420  s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
102421  s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
102422  s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
102423  s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
102424  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
102425  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
102426  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
102427  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
102428  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
102429  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
102430  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
102431  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
102432  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
102433  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
102434  s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
102435  s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
102436  s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
102437  s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
102438  s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
102439  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
102440  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
102441  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
102442  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
102443  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
102444  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
102445  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
102446  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
102447  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
102448  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
102449  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
102450  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
102451  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
102452  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
102453  s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
102454  s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
102455  s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
102456  s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
102457  s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
102458  s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
102459  r1 = r1 + dr
102460  END DO
102461 
102462  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
102463  END SUBROUTINE
102464  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_1_4_exp_1 ( &
102465  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
102466  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
102467  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
102468  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
102469  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
102470  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
102471  r_pow_t, r_tmp, rr1_delta, rr2_delta
102472 
102473  REAL(kind=dp) :: c1, c2, c3
102474  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
102475  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
102476  & s_r_t2_9
102477  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
102478  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
102479  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
102480  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
102481  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
102482  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
102483  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
102484  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
102485  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1
102486 
102487  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
102488 
102489  dr = lgth
102490  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
102491 
102492  s_r(:, :, :) = 0.0_dp
102493 
102494  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
102495 
102496  h_to_c_0_0 = sqrt(alpha/pi)
102497 
102498  h_to_c_0_1 = 0.0_dp
102499  h_to_c_1_1 = +2*alpha*h_to_c_0_0
102500  h_to_c_0_2 = -1*h_to_c_1_1
102501  h_to_c_1_2 = +2*alpha*h_to_c_0_1
102502  h_to_c_2_2 = +2*alpha*h_to_c_1_1
102503  h_to_c_0_3 = -1*h_to_c_1_2
102504  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
102505  h_to_c_2_3 = +2*alpha*h_to_c_1_2
102506  h_to_c_3_3 = +2*alpha*h_to_c_2_2
102507  h_to_c_0_4 = -1*h_to_c_1_3
102508  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
102509  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
102510  h_to_c_3_4 = +2*alpha*h_to_c_2_3
102511  h_to_c_4_4 = +2*alpha*h_to_c_3_3
102512  h_to_c_0_5 = -1*h_to_c_1_4
102513  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
102514  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
102515  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
102516  h_to_c_4_5 = +2*alpha*h_to_c_3_4
102517  h_to_c_5_5 = +2*alpha*h_to_c_4_4
102518  h_to_c_0_6 = -1*h_to_c_1_5
102519  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
102520  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
102521  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
102522  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
102523  h_to_c_5_6 = +2*alpha*h_to_c_4_5
102524  h_to_c_6_6 = +2*alpha*h_to_c_5_5
102525  h_to_c_0_7 = -1*h_to_c_1_6
102526  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
102527  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
102528  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
102529  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
102530  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
102531  h_to_c_6_7 = +2*alpha*h_to_c_5_6
102532  h_to_c_7_7 = +2*alpha*h_to_c_6_6
102533  h_to_c_0_8 = -1*h_to_c_1_7
102534  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
102535  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
102536  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
102537  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
102538  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
102539  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
102540  h_to_c_7_8 = +2*alpha*h_to_c_6_7
102541  h_to_c_8_8 = +2*alpha*h_to_c_7_7
102542  h_to_c_0_9 = -1*h_to_c_1_8
102543  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
102544  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
102545  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
102546  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
102547  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
102548  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
102549  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
102550  h_to_c_8_9 = +2*alpha*h_to_c_7_8
102551  h_to_c_9_9 = +2*alpha*h_to_c_8_8
102552 
102553  exp_drsq = exp(-alpha*dr*dr)
102554  exp_2drsq = exp_drsq*exp_drsq
102555 
102556  rr1_delta = (ra - rb)/dr
102557 
102558  rr1_l = ceiling(-r_c(1) + rr1_delta)
102559  rr1_r = floor(r_c(1) + rr1_delta)
102560 
102561  r1 = rr1_l*dr
102562 
102563  alpha_e = zeta*zetb/(zeta + zetb)
102564 
102565  DO rr1 = rr1_l, rr1_r
102566  s_r_t_0 = 0.0_dp
102567  s_r_t2_0 = 0.0_dp
102568  s_r_t_1 = 0.0_dp
102569  s_r_t2_1 = 0.0_dp
102570  s_r_t_2 = 0.0_dp
102571  s_r_t2_2 = 0.0_dp
102572  s_r_t_3 = 0.0_dp
102573  s_r_t2_3 = 0.0_dp
102574  s_r_t_4 = 0.0_dp
102575  s_r_t2_4 = 0.0_dp
102576  s_r_t_5 = 0.0_dp
102577  s_r_t2_5 = 0.0_dp
102578  s_r_t_6 = 0.0_dp
102579  s_r_t2_6 = 0.0_dp
102580  s_r_t_7 = 0.0_dp
102581  s_r_t2_7 = 0.0_dp
102582  s_r_t_8 = 0.0_dp
102583  s_r_t2_8 = 0.0_dp
102584  s_r_t_9 = 0.0_dp
102585  s_r_t2_9 = 0.0_dp
102586  r_tmp = r_offset + r1*zeta/(zeta + zetb)
102587  rr2_delta = -r_tmp/dr
102588 
102589  rr2_l = ceiling(-r_c(2) + rr2_delta)
102590  rr2_r = floor(r_c(2) + rr2_delta)
102591 
102592  r = r_tmp + (rr2_l)*dr
102593 
102594  exp2_2rdr = exp(-2*alpha*r*dr)
102595  exp2_rsq = exp(-alpha*r*r)
102596 
102597  DO rr2 = rr2_l, rr2_r
102598  r_pow_t = 1.0_dp
102599  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
102600  r_pow_t = r_pow_t*r
102601  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
102602  r_pow_t = r_pow_t*r
102603  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
102604  r_pow_t = r_pow_t*r
102605  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
102606  r_pow_t = r_pow_t*r
102607  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
102608  r_pow_t = r_pow_t*r
102609  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
102610  r_pow_t = r_pow_t*r
102611  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
102612  r_pow_t = r_pow_t*r
102613  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
102614  r_pow_t = r_pow_t*r
102615  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
102616  r_pow_t = r_pow_t*r
102617  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
102618 
102619  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
102620  exp2_2rdr = exp2_2rdr*exp_2drsq
102621  r = r + dr
102622  END DO
102623 
102624  ! C --> H
102625  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
102626  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
102627  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
102628  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
102629  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
102630  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
102631  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
102632  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
102633  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
102634  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
102635  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
102636  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
102637  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
102638  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
102639  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
102640  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
102641  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
102642  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
102643  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
102644  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
102645  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
102646  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
102647  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
102648  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
102649  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
102650  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
102651  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
102652  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
102653  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
102654  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
102655  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
102656  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
102657  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
102658  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
102659  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
102660  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
102661  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
102662  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
102663  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
102664  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
102665  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
102666  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
102667  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
102668  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
102669  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
102670  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
102671  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
102672  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
102673  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
102674  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
102675  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
102676  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
102677  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
102678  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
102679  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
102680 
102681  ! H --> HH
102682  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
102683 
102684  c1 = 1.0_dp/(zeta + zetb)
102685  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
102686  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
102687 
102688  e_0_1_0 = zeta*( &
102689  +c2*e_0_0_0&
102690 
102691  )
102692  e_0_0_1 = zetb*( &
102693  +c3*e_0_0_0&
102694 
102695  )
102696  e_1_1_0 = zeta*( c1*e_0_0_0 &
102697 
102698 
102699  )
102700  e_1_0_1 = zetb*( c1*e_0_0_0 &
102701 
102702 
102703  )
102704  e_0_2_0 = zeta*( &
102705  +c2*e_0_1_0&
102706  +2*e_1_1_0 &
102707  -2*e_0_0_0)
102708  e_0_1_1 = zetb*( &
102709  +c3*e_0_1_0&
102710  +2*e_1_1_0 &
102711  )
102712  e_1_2_0 = zeta*( c1*e_0_1_0 &
102713  +c2*e_1_1_0&
102714 
102715  )
102716  e_1_1_1 = zetb*( c1*e_0_1_0 &
102717  +c3*e_1_1_0&
102718 
102719  )
102720  e_2_2_0 = zeta*( c1*e_1_1_0 &
102721 
102722 
102723  )
102724  e_2_1_1 = zetb*( c1*e_1_1_0 &
102725 
102726 
102727  )
102728  e_0_3_0 = zeta*( &
102729  +c2*e_0_2_0&
102730  +2*e_1_2_0 &
102731  -4*e_0_1_0)
102732  e_0_2_1 = zetb*( &
102733  +c3*e_0_2_0&
102734  +2*e_1_2_0 &
102735  )
102736  e_1_3_0 = zeta*( c1*e_0_2_0 &
102737  +c2*e_1_2_0&
102738  +4*e_2_2_0 &
102739  -4*e_1_1_0)
102740  e_1_2_1 = zetb*( c1*e_0_2_0 &
102741  +c3*e_1_2_0&
102742  +4*e_2_2_0 &
102743  )
102744  e_2_3_0 = zeta*( c1*e_1_2_0 &
102745  +c2*e_2_2_0&
102746 
102747  )
102748  e_2_2_1 = zetb*( c1*e_1_2_0 &
102749  +c3*e_2_2_0&
102750 
102751  )
102752  e_3_3_0 = zeta*( c1*e_2_2_0 &
102753 
102754 
102755  )
102756  e_3_2_1 = zetb*( c1*e_2_2_0 &
102757 
102758 
102759  )
102760  e_0_4_0 = zeta*( &
102761  +c2*e_0_3_0&
102762  +2*e_1_3_0 &
102763  -6*e_0_2_0)
102764  e_0_3_1 = zetb*( &
102765  +c3*e_0_3_0&
102766  +2*e_1_3_0 &
102767  )
102768  e_1_4_0 = zeta*( c1*e_0_3_0 &
102769  +c2*e_1_3_0&
102770  +4*e_2_3_0 &
102771  -6*e_1_2_0)
102772  e_1_3_1 = zetb*( c1*e_0_3_0 &
102773  +c3*e_1_3_0&
102774  +4*e_2_3_0 &
102775  )
102776  e_2_4_0 = zeta*( c1*e_1_3_0 &
102777  +c2*e_2_3_0&
102778  +6*e_3_3_0 &
102779  -6*e_2_2_0)
102780  e_2_3_1 = zetb*( c1*e_1_3_0 &
102781  +c3*e_2_3_0&
102782  +6*e_3_3_0 &
102783  )
102784  e_3_4_0 = zeta*( c1*e_2_3_0 &
102785  +c2*e_3_3_0&
102786 
102787  )
102788  e_3_3_1 = zetb*( c1*e_2_3_0 &
102789  +c3*e_3_3_0&
102790 
102791  )
102792  e_4_4_0 = zeta*( c1*e_3_3_0 &
102793 
102794 
102795  )
102796  e_4_3_1 = zetb*( c1*e_3_3_0 &
102797 
102798 
102799  )
102800  e_0_4_1 = zetb*( &
102801  +c3*e_0_4_0&
102802  +2*e_1_4_0 &
102803  )
102804  e_1_4_1 = zetb*( c1*e_0_4_0 &
102805  +c3*e_1_4_0&
102806  +4*e_2_4_0 &
102807  )
102808  e_2_4_1 = zetb*( c1*e_1_4_0 &
102809  +c3*e_2_4_0&
102810  +6*e_3_4_0 &
102811  )
102812  e_3_4_1 = zetb*( c1*e_2_4_0 &
102813  +c3*e_3_4_0&
102814  +8*e_4_4_0 &
102815  )
102816  e_4_4_1 = zetb*( c1*e_3_4_0 &
102817  +c3*e_4_4_0&
102818 
102819  )
102820  e_5_4_1 = zetb*( c1*e_4_4_0 &
102821 
102822 
102823  )
102824  e_0_1_1 = zeta*( &
102825  +c2*e_0_0_1&
102826  +2*e_1_0_1 &
102827  )
102828  e_1_1_1 = zeta*( c1*e_0_0_1 &
102829  +c2*e_1_0_1&
102830 
102831  )
102832  e_2_1_1 = zeta*( c1*e_1_0_1 &
102833 
102834 
102835  )
102836  e_0_2_1 = zeta*( &
102837  +c2*e_0_1_1&
102838  +2*e_1_1_1 &
102839  -2*e_0_0_1)
102840  e_1_2_1 = zeta*( c1*e_0_1_1 &
102841  +c2*e_1_1_1&
102842  +4*e_2_1_1 &
102843  -2*e_1_0_1)
102844  e_2_2_1 = zeta*( c1*e_1_1_1 &
102845  +c2*e_2_1_1&
102846 
102847  )
102848  e_3_2_1 = zeta*( c1*e_2_1_1 &
102849 
102850 
102851  )
102852  e_0_3_1 = zeta*( &
102853  +c2*e_0_2_1&
102854  +2*e_1_2_1 &
102855  -4*e_0_1_1)
102856  e_1_3_1 = zeta*( c1*e_0_2_1 &
102857  +c2*e_1_2_1&
102858  +4*e_2_2_1 &
102859  -4*e_1_1_1)
102860  e_2_3_1 = zeta*( c1*e_1_2_1 &
102861  +c2*e_2_2_1&
102862  +6*e_3_2_1 &
102863  -4*e_2_1_1)
102864  e_3_3_1 = zeta*( c1*e_2_2_1 &
102865  +c2*e_3_2_1&
102866 
102867  )
102868  e_4_3_1 = zeta*( c1*e_3_2_1 &
102869 
102870 
102871  )
102872  e_0_4_1 = zeta*( &
102873  +c2*e_0_3_1&
102874  +2*e_1_3_1 &
102875  -6*e_0_2_1)
102876  e_1_4_1 = zeta*( c1*e_0_3_1 &
102877  +c2*e_1_3_1&
102878  +4*e_2_3_1 &
102879  -6*e_1_2_1)
102880  e_2_4_1 = zeta*( c1*e_1_3_1 &
102881  +c2*e_2_3_1&
102882  +6*e_3_3_1 &
102883  -6*e_2_2_1)
102884  e_3_4_1 = zeta*( c1*e_2_3_1 &
102885  +c2*e_3_3_1&
102886  +8*e_4_3_1 &
102887  -6*e_3_2_1)
102888  e_4_4_1 = zeta*( c1*e_3_3_1 &
102889  +c2*e_4_3_1&
102890 
102891  )
102892  e_5_4_1 = zeta*( c1*e_4_3_1 &
102893 
102894 
102895  )
102896 
102897  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
102898  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
102899  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
102900  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
102901  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
102902  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
102903  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
102904  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
102905  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
102906  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
102907  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
102908  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
102909  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
102910  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
102911  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
102912  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
102913  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
102914  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
102915  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
102916  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
102917  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
102918  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
102919  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
102920  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
102921  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
102922  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
102923  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
102924  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
102925  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
102926  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
102927  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
102928  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
102929  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
102930  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
102931  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
102932  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
102933  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
102934  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
102935  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
102936  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
102937  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
102938  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
102939  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
102940  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
102941  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
102942  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
102943  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
102944  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
102945  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
102946  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
102947  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
102948  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
102949  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
102950  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
102951  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
102952  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
102953  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
102954  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
102955  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
102956  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
102957  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
102958  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
102959  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
102960  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
102961  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
102962  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
102963  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
102964  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
102965  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
102966  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
102967  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
102968  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
102969  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
102970  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
102971  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
102972  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
102973  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
102974  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
102975  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
102976  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
102977  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
102978  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
102979  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
102980  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
102981  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
102982  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
102983  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
102984  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
102985  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
102986  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
102987  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
102988  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
102989  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
102990  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
102991  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
102992  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
102993  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
102994  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
102995  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
102996  s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
102997  s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
102998  s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
102999  s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
103000  s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
103001  s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
103002  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
103003  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
103004  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
103005  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
103006  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
103007  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
103008  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
103009  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
103010  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
103011  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
103012  s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
103013  s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
103014  s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
103015  s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
103016  s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
103017  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
103018  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
103019  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
103020  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
103021  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
103022  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
103023  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
103024  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
103025  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
103026  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
103027  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
103028  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
103029  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
103030  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
103031  s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
103032  s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
103033  s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
103034  s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
103035  s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
103036  s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
103037  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
103038  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
103039  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
103040  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
103041  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
103042  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
103043  s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
103044  s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
103045  s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
103046  s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
103047  s_r(4, 0, 4) = s_r(4, 0, 4) + e_0_4_0*(1)*s_r_t2_4 ! cost: 5 flops
103048  s_r(4, 0, 4) = s_r(4, 0, 4) + e_1_4_0*(1)*s_r_t2_5 ! cost: 5 flops
103049  s_r(4, 0, 4) = s_r(4, 0, 4) + e_2_4_0*(1)*s_r_t2_6 ! cost: 5 flops
103050  s_r(4, 0, 4) = s_r(4, 0, 4) + e_3_4_0*(1)*s_r_t2_7 ! cost: 5 flops
103051  s_r(4, 0, 4) = s_r(4, 0, 4) + e_4_4_0*(1)*s_r_t2_8 ! cost: 5 flops
103052  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
103053  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
103054  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
103055  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
103056  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
103057  s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
103058  s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
103059  s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
103060  s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
103061  s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
103062  s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
103063  s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
103064  s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
103065  s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
103066  s_r(4, 1, 4) = s_r(4, 1, 4) + e_0_4_1*(1)*s_r_t2_4 ! cost: 5 flops
103067  s_r(4, 1, 4) = s_r(4, 1, 4) + e_1_4_1*(1)*s_r_t2_5 ! cost: 5 flops
103068  s_r(4, 1, 4) = s_r(4, 1, 4) + e_2_4_1*(1)*s_r_t2_6 ! cost: 5 flops
103069  s_r(4, 1, 4) = s_r(4, 1, 4) + e_3_4_1*(1)*s_r_t2_7 ! cost: 5 flops
103070  s_r(4, 1, 4) = s_r(4, 1, 4) + e_4_4_1*(1)*s_r_t2_8 ! cost: 5 flops
103071  s_r(4, 1, 4) = s_r(4, 1, 4) + e_5_4_1*(1)*s_r_t2_9 ! cost: 5 flops
103072  r1 = r1 + dr
103073  END DO
103074 
103075  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
103076  END SUBROUTINE
103077  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_2_0_exp_1 ( &
103078  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
103079  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
103080  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
103081  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
103082  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
103083  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
103084  r_pow_t, r_tmp, rr1_delta, rr2_delta
103085 
103086  REAL(kind=dp) :: c1, c2, c3
103087  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6
103088  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6
103089  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
103090  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
103091  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6
103092  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
103093  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
103094  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
103095  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
103096  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2
103097 
103098  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
103099 
103100  dr = lgth
103101  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
103102 
103103  s_r(:, :, :) = 0.0_dp
103104 
103105  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
103106 
103107  h_to_c_0_0 = sqrt(alpha/pi)
103108 
103109  h_to_c_0_1 = 0.0_dp
103110  h_to_c_1_1 = +2*alpha*h_to_c_0_0
103111  h_to_c_0_2 = -1*h_to_c_1_1
103112  h_to_c_1_2 = +2*alpha*h_to_c_0_1
103113  h_to_c_2_2 = +2*alpha*h_to_c_1_1
103114  h_to_c_0_3 = -1*h_to_c_1_2
103115  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
103116  h_to_c_2_3 = +2*alpha*h_to_c_1_2
103117  h_to_c_3_3 = +2*alpha*h_to_c_2_2
103118  h_to_c_0_4 = -1*h_to_c_1_3
103119  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
103120  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
103121  h_to_c_3_4 = +2*alpha*h_to_c_2_3
103122  h_to_c_4_4 = +2*alpha*h_to_c_3_3
103123  h_to_c_0_5 = -1*h_to_c_1_4
103124  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
103125  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
103126  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
103127  h_to_c_4_5 = +2*alpha*h_to_c_3_4
103128  h_to_c_5_5 = +2*alpha*h_to_c_4_4
103129  h_to_c_0_6 = -1*h_to_c_1_5
103130  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
103131  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
103132  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
103133  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
103134  h_to_c_5_6 = +2*alpha*h_to_c_4_5
103135  h_to_c_6_6 = +2*alpha*h_to_c_5_5
103136 
103137  exp_drsq = exp(-alpha*dr*dr)
103138  exp_2drsq = exp_drsq*exp_drsq
103139 
103140  rr1_delta = (ra - rb)/dr
103141 
103142  rr1_l = ceiling(-r_c(1) + rr1_delta)
103143  rr1_r = floor(r_c(1) + rr1_delta)
103144 
103145  r1 = rr1_l*dr
103146 
103147  alpha_e = zeta*zetb/(zeta + zetb)
103148 
103149  DO rr1 = rr1_l, rr1_r
103150  s_r_t_0 = 0.0_dp
103151  s_r_t2_0 = 0.0_dp
103152  s_r_t_1 = 0.0_dp
103153  s_r_t2_1 = 0.0_dp
103154  s_r_t_2 = 0.0_dp
103155  s_r_t2_2 = 0.0_dp
103156  s_r_t_3 = 0.0_dp
103157  s_r_t2_3 = 0.0_dp
103158  s_r_t_4 = 0.0_dp
103159  s_r_t2_4 = 0.0_dp
103160  s_r_t_5 = 0.0_dp
103161  s_r_t2_5 = 0.0_dp
103162  s_r_t_6 = 0.0_dp
103163  s_r_t2_6 = 0.0_dp
103164  r_tmp = r_offset + r1*zeta/(zeta + zetb)
103165  rr2_delta = -r_tmp/dr
103166 
103167  rr2_l = ceiling(-r_c(2) + rr2_delta)
103168  rr2_r = floor(r_c(2) + rr2_delta)
103169 
103170  r = r_tmp + (rr2_l)*dr
103171 
103172  exp2_2rdr = exp(-2*alpha*r*dr)
103173  exp2_rsq = exp(-alpha*r*r)
103174 
103175  DO rr2 = rr2_l, rr2_r
103176  r_pow_t = 1.0_dp
103177  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
103178  r_pow_t = r_pow_t*r
103179  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
103180  r_pow_t = r_pow_t*r
103181  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
103182  r_pow_t = r_pow_t*r
103183  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
103184  r_pow_t = r_pow_t*r
103185  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
103186  r_pow_t = r_pow_t*r
103187  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
103188  r_pow_t = r_pow_t*r
103189  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
103190 
103191  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
103192  exp2_2rdr = exp2_2rdr*exp_2drsq
103193  r = r + dr
103194  END DO
103195 
103196  ! C --> H
103197  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
103198  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
103199  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
103200  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
103201  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
103202  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
103203  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
103204  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
103205  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
103206  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
103207  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
103208  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
103209  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
103210  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
103211  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
103212  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
103213  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
103214  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
103215  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
103216  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
103217  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
103218  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
103219  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
103220  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
103221  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
103222  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
103223  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
103224  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
103225 
103226  ! H --> HH
103227  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
103228 
103229  c1 = 1.0_dp/(zeta + zetb)
103230  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
103231  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
103232 
103233  e_0_1_0 = zeta*( &
103234  +c2*e_0_0_0&
103235 
103236  )
103237  e_0_0_1 = zetb*( &
103238  +c3*e_0_0_0&
103239 
103240  )
103241  e_1_1_0 = zeta*( c1*e_0_0_0 &
103242 
103243 
103244  )
103245  e_1_0_1 = zetb*( c1*e_0_0_0 &
103246 
103247 
103248  )
103249  e_0_2_0 = zeta*( &
103250  +c2*e_0_1_0&
103251  +2*e_1_1_0 &
103252  -2*e_0_0_0)
103253  e_0_1_1 = zetb*( &
103254  +c3*e_0_1_0&
103255  +2*e_1_1_0 &
103256  )
103257  e_1_2_0 = zeta*( c1*e_0_1_0 &
103258  +c2*e_1_1_0&
103259 
103260  )
103261  e_1_1_1 = zetb*( c1*e_0_1_0 &
103262  +c3*e_1_1_0&
103263 
103264  )
103265  e_2_2_0 = zeta*( c1*e_1_1_0 &
103266 
103267 
103268  )
103269  e_2_1_1 = zetb*( c1*e_1_1_0 &
103270 
103271 
103272  )
103273  e_0_3_0 = zeta*( &
103274  +c2*e_0_2_0&
103275  +2*e_1_2_0 &
103276  -4*e_0_1_0)
103277  e_0_2_1 = zetb*( &
103278  +c3*e_0_2_0&
103279  +2*e_1_2_0 &
103280  )
103281  e_1_3_0 = zeta*( c1*e_0_2_0 &
103282  +c2*e_1_2_0&
103283  +4*e_2_2_0 &
103284  -4*e_1_1_0)
103285  e_1_2_1 = zetb*( c1*e_0_2_0 &
103286  +c3*e_1_2_0&
103287  +4*e_2_2_0 &
103288  )
103289  e_2_3_0 = zeta*( c1*e_1_2_0 &
103290  +c2*e_2_2_0&
103291 
103292  )
103293  e_2_2_1 = zetb*( c1*e_1_2_0 &
103294  +c3*e_2_2_0&
103295 
103296  )
103297  e_3_3_0 = zeta*( c1*e_2_2_0 &
103298 
103299 
103300  )
103301  e_3_2_1 = zetb*( c1*e_2_2_0 &
103302 
103303 
103304  )
103305  e_0_4_0 = zeta*( &
103306  +c2*e_0_3_0&
103307  +2*e_1_3_0 &
103308  -6*e_0_2_0)
103309  e_0_3_1 = zetb*( &
103310  +c3*e_0_3_0&
103311  +2*e_1_3_0 &
103312  )
103313  e_1_4_0 = zeta*( c1*e_0_3_0 &
103314  +c2*e_1_3_0&
103315  +4*e_2_3_0 &
103316  -6*e_1_2_0)
103317  e_1_3_1 = zetb*( c1*e_0_3_0 &
103318  +c3*e_1_3_0&
103319  +4*e_2_3_0 &
103320  )
103321  e_2_4_0 = zeta*( c1*e_1_3_0 &
103322  +c2*e_2_3_0&
103323  +6*e_3_3_0 &
103324  -6*e_2_2_0)
103325  e_2_3_1 = zetb*( c1*e_1_3_0 &
103326  +c3*e_2_3_0&
103327  +6*e_3_3_0 &
103328  )
103329  e_3_4_0 = zeta*( c1*e_2_3_0 &
103330  +c2*e_3_3_0&
103331 
103332  )
103333  e_3_3_1 = zetb*( c1*e_2_3_0 &
103334  +c3*e_3_3_0&
103335 
103336  )
103337  e_4_4_0 = zeta*( c1*e_3_3_0 &
103338 
103339 
103340  )
103341  e_4_3_1 = zetb*( c1*e_3_3_0 &
103342 
103343 
103344  )
103345  e_0_4_1 = zetb*( &
103346  +c3*e_0_4_0&
103347  +2*e_1_4_0 &
103348  )
103349  e_1_4_1 = zetb*( c1*e_0_4_0 &
103350  +c3*e_1_4_0&
103351  +4*e_2_4_0 &
103352  )
103353  e_2_4_1 = zetb*( c1*e_1_4_0 &
103354  +c3*e_2_4_0&
103355  +6*e_3_4_0 &
103356  )
103357  e_3_4_1 = zetb*( c1*e_2_4_0 &
103358  +c3*e_3_4_0&
103359  +8*e_4_4_0 &
103360  )
103361  e_4_4_1 = zetb*( c1*e_3_4_0 &
103362  +c3*e_4_4_0&
103363 
103364  )
103365  e_5_4_1 = zetb*( c1*e_4_4_0 &
103366 
103367 
103368  )
103369  e_0_1_1 = zeta*( &
103370  +c2*e_0_0_1&
103371  +2*e_1_0_1 &
103372  )
103373  e_0_0_2 = zetb*( &
103374  +c3*e_0_0_1&
103375  +2*e_1_0_1 &
103376  -2*e_0_0_0)
103377  e_1_1_1 = zeta*( c1*e_0_0_1 &
103378  +c2*e_1_0_1&
103379 
103380  )
103381  e_1_0_2 = zetb*( c1*e_0_0_1 &
103382  +c3*e_1_0_1&
103383 
103384  )
103385  e_2_1_1 = zeta*( c1*e_1_0_1 &
103386 
103387 
103388  )
103389  e_2_0_2 = zetb*( c1*e_1_0_1 &
103390 
103391 
103392  )
103393  e_0_2_1 = zeta*( &
103394  +c2*e_0_1_1&
103395  +2*e_1_1_1 &
103396  -2*e_0_0_1)
103397  e_0_1_2 = zetb*( &
103398  +c3*e_0_1_1&
103399  +2*e_1_1_1 &
103400  -2*e_0_1_0)
103401  e_1_2_1 = zeta*( c1*e_0_1_1 &
103402  +c2*e_1_1_1&
103403  +4*e_2_1_1 &
103404  -2*e_1_0_1)
103405  e_1_1_2 = zetb*( c1*e_0_1_1 &
103406  +c3*e_1_1_1&
103407  +4*e_2_1_1 &
103408  -2*e_1_1_0)
103409  e_2_2_1 = zeta*( c1*e_1_1_1 &
103410  +c2*e_2_1_1&
103411 
103412  )
103413  e_2_1_2 = zetb*( c1*e_1_1_1 &
103414  +c3*e_2_1_1&
103415 
103416  )
103417  e_3_2_1 = zeta*( c1*e_2_1_1 &
103418 
103419 
103420  )
103421  e_3_1_2 = zetb*( c1*e_2_1_1 &
103422 
103423 
103424  )
103425  e_0_3_1 = zeta*( &
103426  +c2*e_0_2_1&
103427  +2*e_1_2_1 &
103428  -4*e_0_1_1)
103429  e_0_2_2 = zetb*( &
103430  +c3*e_0_2_1&
103431  +2*e_1_2_1 &
103432  -2*e_0_2_0)
103433  e_1_3_1 = zeta*( c1*e_0_2_1 &
103434  +c2*e_1_2_1&
103435  +4*e_2_2_1 &
103436  -4*e_1_1_1)
103437  e_1_2_2 = zetb*( c1*e_0_2_1 &
103438  +c3*e_1_2_1&
103439  +4*e_2_2_1 &
103440  -2*e_1_2_0)
103441  e_2_3_1 = zeta*( c1*e_1_2_1 &
103442  +c2*e_2_2_1&
103443  +6*e_3_2_1 &
103444  -4*e_2_1_1)
103445  e_2_2_2 = zetb*( c1*e_1_2_1 &
103446  +c3*e_2_2_1&
103447  +6*e_3_2_1 &
103448  -2*e_2_2_0)
103449  e_3_3_1 = zeta*( c1*e_2_2_1 &
103450  +c2*e_3_2_1&
103451 
103452  )
103453  e_3_2_2 = zetb*( c1*e_2_2_1 &
103454  +c3*e_3_2_1&
103455 
103456  )
103457  e_4_3_1 = zeta*( c1*e_3_2_1 &
103458 
103459 
103460  )
103461  e_4_2_2 = zetb*( c1*e_3_2_1 &
103462 
103463 
103464  )
103465  e_0_4_1 = zeta*( &
103466  +c2*e_0_3_1&
103467  +2*e_1_3_1 &
103468  -6*e_0_2_1)
103469  e_0_3_2 = zetb*( &
103470  +c3*e_0_3_1&
103471  +2*e_1_3_1 &
103472  -2*e_0_3_0)
103473  e_1_4_1 = zeta*( c1*e_0_3_1 &
103474  +c2*e_1_3_1&
103475  +4*e_2_3_1 &
103476  -6*e_1_2_1)
103477  e_1_3_2 = zetb*( c1*e_0_3_1 &
103478  +c3*e_1_3_1&
103479  +4*e_2_3_1 &
103480  -2*e_1_3_0)
103481  e_2_4_1 = zeta*( c1*e_1_3_1 &
103482  +c2*e_2_3_1&
103483  +6*e_3_3_1 &
103484  -6*e_2_2_1)
103485  e_2_3_2 = zetb*( c1*e_1_3_1 &
103486  +c3*e_2_3_1&
103487  +6*e_3_3_1 &
103488  -2*e_2_3_0)
103489  e_3_4_1 = zeta*( c1*e_2_3_1 &
103490  +c2*e_3_3_1&
103491  +8*e_4_3_1 &
103492  -6*e_3_2_1)
103493  e_3_3_2 = zetb*( c1*e_2_3_1 &
103494  +c3*e_3_3_1&
103495  +8*e_4_3_1 &
103496  -2*e_3_3_0)
103497  e_4_4_1 = zeta*( c1*e_3_3_1 &
103498  +c2*e_4_3_1&
103499 
103500  )
103501  e_4_3_2 = zetb*( c1*e_3_3_1 &
103502  +c3*e_4_3_1&
103503 
103504  )
103505  e_5_4_1 = zeta*( c1*e_4_3_1 &
103506 
103507 
103508  )
103509  e_5_3_2 = zetb*( c1*e_4_3_1 &
103510 
103511 
103512  )
103513  e_0_4_2 = zetb*( &
103514  +c3*e_0_4_1&
103515  +2*e_1_4_1 &
103516  -2*e_0_4_0)
103517  e_1_4_2 = zetb*( c1*e_0_4_1 &
103518  +c3*e_1_4_1&
103519  +4*e_2_4_1 &
103520  -2*e_1_4_0)
103521  e_2_4_2 = zetb*( c1*e_1_4_1 &
103522  +c3*e_2_4_1&
103523  +6*e_3_4_1 &
103524  -2*e_2_4_0)
103525  e_3_4_2 = zetb*( c1*e_2_4_1 &
103526  +c3*e_3_4_1&
103527  +8*e_4_4_1 &
103528  -2*e_3_4_0)
103529  e_4_4_2 = zetb*( c1*e_3_4_1 &
103530  +c3*e_4_4_1&
103531  +10*e_5_4_1 &
103532  -2*e_4_4_0)
103533  e_5_4_2 = zetb*( c1*e_4_4_1 &
103534  +c3*e_5_4_1&
103535 
103536  )
103537  e_6_4_2 = zetb*( c1*e_5_4_1 &
103538 
103539 
103540  )
103541  e_0_1_2 = zeta*( &
103542  +c2*e_0_0_2&
103543  +2*e_1_0_2 &
103544  )
103545  e_1_1_2 = zeta*( c1*e_0_0_2 &
103546  +c2*e_1_0_2&
103547  +4*e_2_0_2 &
103548  )
103549  e_2_1_2 = zeta*( c1*e_1_0_2 &
103550  +c2*e_2_0_2&
103551 
103552  )
103553  e_3_1_2 = zeta*( c1*e_2_0_2 &
103554 
103555 
103556  )
103557  e_0_2_2 = zeta*( &
103558  +c2*e_0_1_2&
103559  +2*e_1_1_2 &
103560  -2*e_0_0_2)
103561  e_1_2_2 = zeta*( c1*e_0_1_2 &
103562  +c2*e_1_1_2&
103563  +4*e_2_1_2 &
103564  -2*e_1_0_2)
103565  e_2_2_2 = zeta*( c1*e_1_1_2 &
103566  +c2*e_2_1_2&
103567  +6*e_3_1_2 &
103568  -2*e_2_0_2)
103569  e_3_2_2 = zeta*( c1*e_2_1_2 &
103570  +c2*e_3_1_2&
103571 
103572  )
103573  e_4_2_2 = zeta*( c1*e_3_1_2 &
103574 
103575 
103576  )
103577  e_0_3_2 = zeta*( &
103578  +c2*e_0_2_2&
103579  +2*e_1_2_2 &
103580  -4*e_0_1_2)
103581  e_1_3_2 = zeta*( c1*e_0_2_2 &
103582  +c2*e_1_2_2&
103583  +4*e_2_2_2 &
103584  -4*e_1_1_2)
103585  e_2_3_2 = zeta*( c1*e_1_2_2 &
103586  +c2*e_2_2_2&
103587  +6*e_3_2_2 &
103588  -4*e_2_1_2)
103589  e_3_3_2 = zeta*( c1*e_2_2_2 &
103590  +c2*e_3_2_2&
103591  +8*e_4_2_2 &
103592  -4*e_3_1_2)
103593  e_4_3_2 = zeta*( c1*e_3_2_2 &
103594  +c2*e_4_2_2&
103595 
103596  )
103597  e_5_3_2 = zeta*( c1*e_4_2_2 &
103598 
103599 
103600  )
103601  e_0_4_2 = zeta*( &
103602  +c2*e_0_3_2&
103603  +2*e_1_3_2 &
103604  -6*e_0_2_2)
103605  e_1_4_2 = zeta*( c1*e_0_3_2 &
103606  +c2*e_1_3_2&
103607  +4*e_2_3_2 &
103608  -6*e_1_2_2)
103609  e_2_4_2 = zeta*( c1*e_1_3_2 &
103610  +c2*e_2_3_2&
103611  +6*e_3_3_2 &
103612  -6*e_2_2_2)
103613  e_3_4_2 = zeta*( c1*e_2_3_2 &
103614  +c2*e_3_3_2&
103615  +8*e_4_3_2 &
103616  -6*e_3_2_2)
103617  e_4_4_2 = zeta*( c1*e_3_3_2 &
103618  +c2*e_4_3_2&
103619  +10*e_5_3_2 &
103620  -6*e_4_2_2)
103621  e_5_4_2 = zeta*( c1*e_4_3_2 &
103622  +c2*e_5_3_2&
103623 
103624  )
103625  e_6_4_2 = zeta*( c1*e_5_3_2 &
103626 
103627 
103628  )
103629 
103630  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
103631  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
103632  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
103633  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
103634  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
103635  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
103636  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
103637  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
103638  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
103639  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
103640  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
103641  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
103642  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
103643  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
103644  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
103645  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
103646  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
103647  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
103648  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
103649  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
103650  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
103651  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
103652  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
103653  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
103654  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
103655  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
103656  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
103657  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
103658  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
103659  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
103660  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
103661  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
103662  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
103663  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
103664  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
103665  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
103666  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
103667  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
103668  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
103669  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
103670  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
103671  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
103672  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
103673  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
103674  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
103675  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
103676  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
103677  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
103678  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
103679  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
103680  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
103681  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
103682  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
103683  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
103684  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
103685  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
103686  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
103687  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
103688  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
103689  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
103690  r1 = r1 + dr
103691  END DO
103692 
103693  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
103694  END SUBROUTINE
103695  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_2_1_exp_1 ( &
103696  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
103697  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
103698  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
103699  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
103700  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
103701  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
103702  r_pow_t, r_tmp, rr1_delta, rr2_delta
103703 
103704  REAL(kind=dp) :: c1, c2, c3
103705  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
103706  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
103707  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
103708  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
103709  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
103710  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
103711  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
103712  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
103713  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
103714  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
103715  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2
103716 
103717  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
103718 
103719  dr = lgth
103720  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
103721 
103722  s_r(:, :, :) = 0.0_dp
103723 
103724  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
103725 
103726  h_to_c_0_0 = sqrt(alpha/pi)
103727 
103728  h_to_c_0_1 = 0.0_dp
103729  h_to_c_1_1 = +2*alpha*h_to_c_0_0
103730  h_to_c_0_2 = -1*h_to_c_1_1
103731  h_to_c_1_2 = +2*alpha*h_to_c_0_1
103732  h_to_c_2_2 = +2*alpha*h_to_c_1_1
103733  h_to_c_0_3 = -1*h_to_c_1_2
103734  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
103735  h_to_c_2_3 = +2*alpha*h_to_c_1_2
103736  h_to_c_3_3 = +2*alpha*h_to_c_2_2
103737  h_to_c_0_4 = -1*h_to_c_1_3
103738  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
103739  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
103740  h_to_c_3_4 = +2*alpha*h_to_c_2_3
103741  h_to_c_4_4 = +2*alpha*h_to_c_3_3
103742  h_to_c_0_5 = -1*h_to_c_1_4
103743  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
103744  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
103745  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
103746  h_to_c_4_5 = +2*alpha*h_to_c_3_4
103747  h_to_c_5_5 = +2*alpha*h_to_c_4_4
103748  h_to_c_0_6 = -1*h_to_c_1_5
103749  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
103750  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
103751  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
103752  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
103753  h_to_c_5_6 = +2*alpha*h_to_c_4_5
103754  h_to_c_6_6 = +2*alpha*h_to_c_5_5
103755  h_to_c_0_7 = -1*h_to_c_1_6
103756  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
103757  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
103758  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
103759  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
103760  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
103761  h_to_c_6_7 = +2*alpha*h_to_c_5_6
103762  h_to_c_7_7 = +2*alpha*h_to_c_6_6
103763 
103764  exp_drsq = exp(-alpha*dr*dr)
103765  exp_2drsq = exp_drsq*exp_drsq
103766 
103767  rr1_delta = (ra - rb)/dr
103768 
103769  rr1_l = ceiling(-r_c(1) + rr1_delta)
103770  rr1_r = floor(r_c(1) + rr1_delta)
103771 
103772  r1 = rr1_l*dr
103773 
103774  alpha_e = zeta*zetb/(zeta + zetb)
103775 
103776  DO rr1 = rr1_l, rr1_r
103777  s_r_t_0 = 0.0_dp
103778  s_r_t2_0 = 0.0_dp
103779  s_r_t_1 = 0.0_dp
103780  s_r_t2_1 = 0.0_dp
103781  s_r_t_2 = 0.0_dp
103782  s_r_t2_2 = 0.0_dp
103783  s_r_t_3 = 0.0_dp
103784  s_r_t2_3 = 0.0_dp
103785  s_r_t_4 = 0.0_dp
103786  s_r_t2_4 = 0.0_dp
103787  s_r_t_5 = 0.0_dp
103788  s_r_t2_5 = 0.0_dp
103789  s_r_t_6 = 0.0_dp
103790  s_r_t2_6 = 0.0_dp
103791  s_r_t_7 = 0.0_dp
103792  s_r_t2_7 = 0.0_dp
103793  r_tmp = r_offset + r1*zeta/(zeta + zetb)
103794  rr2_delta = -r_tmp/dr
103795 
103796  rr2_l = ceiling(-r_c(2) + rr2_delta)
103797  rr2_r = floor(r_c(2) + rr2_delta)
103798 
103799  r = r_tmp + (rr2_l)*dr
103800 
103801  exp2_2rdr = exp(-2*alpha*r*dr)
103802  exp2_rsq = exp(-alpha*r*r)
103803 
103804  DO rr2 = rr2_l, rr2_r
103805  r_pow_t = 1.0_dp
103806  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
103807  r_pow_t = r_pow_t*r
103808  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
103809  r_pow_t = r_pow_t*r
103810  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
103811  r_pow_t = r_pow_t*r
103812  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
103813  r_pow_t = r_pow_t*r
103814  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
103815  r_pow_t = r_pow_t*r
103816  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
103817  r_pow_t = r_pow_t*r
103818  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
103819  r_pow_t = r_pow_t*r
103820  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
103821 
103822  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
103823  exp2_2rdr = exp2_2rdr*exp_2drsq
103824  r = r + dr
103825  END DO
103826 
103827  ! C --> H
103828  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
103829  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
103830  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
103831  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
103832  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
103833  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
103834  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
103835  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
103836  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
103837  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
103838  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
103839  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
103840  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
103841  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
103842  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
103843  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
103844  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
103845  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
103846  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
103847  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
103848  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
103849  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
103850  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
103851  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
103852  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
103853  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
103854  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
103855  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
103856  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
103857  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
103858  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
103859  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
103860  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
103861  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
103862  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
103863  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
103864 
103865  ! H --> HH
103866  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
103867 
103868  c1 = 1.0_dp/(zeta + zetb)
103869  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
103870  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
103871 
103872  e_0_1_0 = zeta*( &
103873  +c2*e_0_0_0&
103874 
103875  )
103876  e_0_0_1 = zetb*( &
103877  +c3*e_0_0_0&
103878 
103879  )
103880  e_1_1_0 = zeta*( c1*e_0_0_0 &
103881 
103882 
103883  )
103884  e_1_0_1 = zetb*( c1*e_0_0_0 &
103885 
103886 
103887  )
103888  e_0_2_0 = zeta*( &
103889  +c2*e_0_1_0&
103890  +2*e_1_1_0 &
103891  -2*e_0_0_0)
103892  e_0_1_1 = zetb*( &
103893  +c3*e_0_1_0&
103894  +2*e_1_1_0 &
103895  )
103896  e_1_2_0 = zeta*( c1*e_0_1_0 &
103897  +c2*e_1_1_0&
103898 
103899  )
103900  e_1_1_1 = zetb*( c1*e_0_1_0 &
103901  +c3*e_1_1_0&
103902 
103903  )
103904  e_2_2_0 = zeta*( c1*e_1_1_0 &
103905 
103906 
103907  )
103908  e_2_1_1 = zetb*( c1*e_1_1_0 &
103909 
103910 
103911  )
103912  e_0_3_0 = zeta*( &
103913  +c2*e_0_2_0&
103914  +2*e_1_2_0 &
103915  -4*e_0_1_0)
103916  e_0_2_1 = zetb*( &
103917  +c3*e_0_2_0&
103918  +2*e_1_2_0 &
103919  )
103920  e_1_3_0 = zeta*( c1*e_0_2_0 &
103921  +c2*e_1_2_0&
103922  +4*e_2_2_0 &
103923  -4*e_1_1_0)
103924  e_1_2_1 = zetb*( c1*e_0_2_0 &
103925  +c3*e_1_2_0&
103926  +4*e_2_2_0 &
103927  )
103928  e_2_3_0 = zeta*( c1*e_1_2_0 &
103929  +c2*e_2_2_0&
103930 
103931  )
103932  e_2_2_1 = zetb*( c1*e_1_2_0 &
103933  +c3*e_2_2_0&
103934 
103935  )
103936  e_3_3_0 = zeta*( c1*e_2_2_0 &
103937 
103938 
103939  )
103940  e_3_2_1 = zetb*( c1*e_2_2_0 &
103941 
103942 
103943  )
103944  e_0_4_0 = zeta*( &
103945  +c2*e_0_3_0&
103946  +2*e_1_3_0 &
103947  -6*e_0_2_0)
103948  e_0_3_1 = zetb*( &
103949  +c3*e_0_3_0&
103950  +2*e_1_3_0 &
103951  )
103952  e_1_4_0 = zeta*( c1*e_0_3_0 &
103953  +c2*e_1_3_0&
103954  +4*e_2_3_0 &
103955  -6*e_1_2_0)
103956  e_1_3_1 = zetb*( c1*e_0_3_0 &
103957  +c3*e_1_3_0&
103958  +4*e_2_3_0 &
103959  )
103960  e_2_4_0 = zeta*( c1*e_1_3_0 &
103961  +c2*e_2_3_0&
103962  +6*e_3_3_0 &
103963  -6*e_2_2_0)
103964  e_2_3_1 = zetb*( c1*e_1_3_0 &
103965  +c3*e_2_3_0&
103966  +6*e_3_3_0 &
103967  )
103968  e_3_4_0 = zeta*( c1*e_2_3_0 &
103969  +c2*e_3_3_0&
103970 
103971  )
103972  e_3_3_1 = zetb*( c1*e_2_3_0 &
103973  +c3*e_3_3_0&
103974 
103975  )
103976  e_4_4_0 = zeta*( c1*e_3_3_0 &
103977 
103978 
103979  )
103980  e_4_3_1 = zetb*( c1*e_3_3_0 &
103981 
103982 
103983  )
103984  e_0_4_1 = zetb*( &
103985  +c3*e_0_4_0&
103986  +2*e_1_4_0 &
103987  )
103988  e_1_4_1 = zetb*( c1*e_0_4_0 &
103989  +c3*e_1_4_0&
103990  +4*e_2_4_0 &
103991  )
103992  e_2_4_1 = zetb*( c1*e_1_4_0 &
103993  +c3*e_2_4_0&
103994  +6*e_3_4_0 &
103995  )
103996  e_3_4_1 = zetb*( c1*e_2_4_0 &
103997  +c3*e_3_4_0&
103998  +8*e_4_4_0 &
103999  )
104000  e_4_4_1 = zetb*( c1*e_3_4_0 &
104001  +c3*e_4_4_0&
104002 
104003  )
104004  e_5_4_1 = zetb*( c1*e_4_4_0 &
104005 
104006 
104007  )
104008  e_0_1_1 = zeta*( &
104009  +c2*e_0_0_1&
104010  +2*e_1_0_1 &
104011  )
104012  e_0_0_2 = zetb*( &
104013  +c3*e_0_0_1&
104014  +2*e_1_0_1 &
104015  -2*e_0_0_0)
104016  e_1_1_1 = zeta*( c1*e_0_0_1 &
104017  +c2*e_1_0_1&
104018 
104019  )
104020  e_1_0_2 = zetb*( c1*e_0_0_1 &
104021  +c3*e_1_0_1&
104022 
104023  )
104024  e_2_1_1 = zeta*( c1*e_1_0_1 &
104025 
104026 
104027  )
104028  e_2_0_2 = zetb*( c1*e_1_0_1 &
104029 
104030 
104031  )
104032  e_0_2_1 = zeta*( &
104033  +c2*e_0_1_1&
104034  +2*e_1_1_1 &
104035  -2*e_0_0_1)
104036  e_0_1_2 = zetb*( &
104037  +c3*e_0_1_1&
104038  +2*e_1_1_1 &
104039  -2*e_0_1_0)
104040  e_1_2_1 = zeta*( c1*e_0_1_1 &
104041  +c2*e_1_1_1&
104042  +4*e_2_1_1 &
104043  -2*e_1_0_1)
104044  e_1_1_2 = zetb*( c1*e_0_1_1 &
104045  +c3*e_1_1_1&
104046  +4*e_2_1_1 &
104047  -2*e_1_1_0)
104048  e_2_2_1 = zeta*( c1*e_1_1_1 &
104049  +c2*e_2_1_1&
104050 
104051  )
104052  e_2_1_2 = zetb*( c1*e_1_1_1 &
104053  +c3*e_2_1_1&
104054 
104055  )
104056  e_3_2_1 = zeta*( c1*e_2_1_1 &
104057 
104058 
104059  )
104060  e_3_1_2 = zetb*( c1*e_2_1_1 &
104061 
104062 
104063  )
104064  e_0_3_1 = zeta*( &
104065  +c2*e_0_2_1&
104066  +2*e_1_2_1 &
104067  -4*e_0_1_1)
104068  e_0_2_2 = zetb*( &
104069  +c3*e_0_2_1&
104070  +2*e_1_2_1 &
104071  -2*e_0_2_0)
104072  e_1_3_1 = zeta*( c1*e_0_2_1 &
104073  +c2*e_1_2_1&
104074  +4*e_2_2_1 &
104075  -4*e_1_1_1)
104076  e_1_2_2 = zetb*( c1*e_0_2_1 &
104077  +c3*e_1_2_1&
104078  +4*e_2_2_1 &
104079  -2*e_1_2_0)
104080  e_2_3_1 = zeta*( c1*e_1_2_1 &
104081  +c2*e_2_2_1&
104082  +6*e_3_2_1 &
104083  -4*e_2_1_1)
104084  e_2_2_2 = zetb*( c1*e_1_2_1 &
104085  +c3*e_2_2_1&
104086  +6*e_3_2_1 &
104087  -2*e_2_2_0)
104088  e_3_3_1 = zeta*( c1*e_2_2_1 &
104089  +c2*e_3_2_1&
104090 
104091  )
104092  e_3_2_2 = zetb*( c1*e_2_2_1 &
104093  +c3*e_3_2_1&
104094 
104095  )
104096  e_4_3_1 = zeta*( c1*e_3_2_1 &
104097 
104098 
104099  )
104100  e_4_2_2 = zetb*( c1*e_3_2_1 &
104101 
104102 
104103  )
104104  e_0_4_1 = zeta*( &
104105  +c2*e_0_3_1&
104106  +2*e_1_3_1 &
104107  -6*e_0_2_1)
104108  e_0_3_2 = zetb*( &
104109  +c3*e_0_3_1&
104110  +2*e_1_3_1 &
104111  -2*e_0_3_0)
104112  e_1_4_1 = zeta*( c1*e_0_3_1 &
104113  +c2*e_1_3_1&
104114  +4*e_2_3_1 &
104115  -6*e_1_2_1)
104116  e_1_3_2 = zetb*( c1*e_0_3_1 &
104117  +c3*e_1_3_1&
104118  +4*e_2_3_1 &
104119  -2*e_1_3_0)
104120  e_2_4_1 = zeta*( c1*e_1_3_1 &
104121  +c2*e_2_3_1&
104122  +6*e_3_3_1 &
104123  -6*e_2_2_1)
104124  e_2_3_2 = zetb*( c1*e_1_3_1 &
104125  +c3*e_2_3_1&
104126  +6*e_3_3_1 &
104127  -2*e_2_3_0)
104128  e_3_4_1 = zeta*( c1*e_2_3_1 &
104129  +c2*e_3_3_1&
104130  +8*e_4_3_1 &
104131  -6*e_3_2_1)
104132  e_3_3_2 = zetb*( c1*e_2_3_1 &
104133  +c3*e_3_3_1&
104134  +8*e_4_3_1 &
104135  -2*e_3_3_0)
104136  e_4_4_1 = zeta*( c1*e_3_3_1 &
104137  +c2*e_4_3_1&
104138 
104139  )
104140  e_4_3_2 = zetb*( c1*e_3_3_1 &
104141  +c3*e_4_3_1&
104142 
104143  )
104144  e_5_4_1 = zeta*( c1*e_4_3_1 &
104145 
104146 
104147  )
104148  e_5_3_2 = zetb*( c1*e_4_3_1 &
104149 
104150 
104151  )
104152  e_0_4_2 = zetb*( &
104153  +c3*e_0_4_1&
104154  +2*e_1_4_1 &
104155  -2*e_0_4_0)
104156  e_1_4_2 = zetb*( c1*e_0_4_1 &
104157  +c3*e_1_4_1&
104158  +4*e_2_4_1 &
104159  -2*e_1_4_0)
104160  e_2_4_2 = zetb*( c1*e_1_4_1 &
104161  +c3*e_2_4_1&
104162  +6*e_3_4_1 &
104163  -2*e_2_4_0)
104164  e_3_4_2 = zetb*( c1*e_2_4_1 &
104165  +c3*e_3_4_1&
104166  +8*e_4_4_1 &
104167  -2*e_3_4_0)
104168  e_4_4_2 = zetb*( c1*e_3_4_1 &
104169  +c3*e_4_4_1&
104170  +10*e_5_4_1 &
104171  -2*e_4_4_0)
104172  e_5_4_2 = zetb*( c1*e_4_4_1 &
104173  +c3*e_5_4_1&
104174 
104175  )
104176  e_6_4_2 = zetb*( c1*e_5_4_1 &
104177 
104178 
104179  )
104180  e_0_1_2 = zeta*( &
104181  +c2*e_0_0_2&
104182  +2*e_1_0_2 &
104183  )
104184  e_1_1_2 = zeta*( c1*e_0_0_2 &
104185  +c2*e_1_0_2&
104186  +4*e_2_0_2 &
104187  )
104188  e_2_1_2 = zeta*( c1*e_1_0_2 &
104189  +c2*e_2_0_2&
104190 
104191  )
104192  e_3_1_2 = zeta*( c1*e_2_0_2 &
104193 
104194 
104195  )
104196  e_0_2_2 = zeta*( &
104197  +c2*e_0_1_2&
104198  +2*e_1_1_2 &
104199  -2*e_0_0_2)
104200  e_1_2_2 = zeta*( c1*e_0_1_2 &
104201  +c2*e_1_1_2&
104202  +4*e_2_1_2 &
104203  -2*e_1_0_2)
104204  e_2_2_2 = zeta*( c1*e_1_1_2 &
104205  +c2*e_2_1_2&
104206  +6*e_3_1_2 &
104207  -2*e_2_0_2)
104208  e_3_2_2 = zeta*( c1*e_2_1_2 &
104209  +c2*e_3_1_2&
104210 
104211  )
104212  e_4_2_2 = zeta*( c1*e_3_1_2 &
104213 
104214 
104215  )
104216  e_0_3_2 = zeta*( &
104217  +c2*e_0_2_2&
104218  +2*e_1_2_2 &
104219  -4*e_0_1_2)
104220  e_1_3_2 = zeta*( c1*e_0_2_2 &
104221  +c2*e_1_2_2&
104222  +4*e_2_2_2 &
104223  -4*e_1_1_2)
104224  e_2_3_2 = zeta*( c1*e_1_2_2 &
104225  +c2*e_2_2_2&
104226  +6*e_3_2_2 &
104227  -4*e_2_1_2)
104228  e_3_3_2 = zeta*( c1*e_2_2_2 &
104229  +c2*e_3_2_2&
104230  +8*e_4_2_2 &
104231  -4*e_3_1_2)
104232  e_4_3_2 = zeta*( c1*e_3_2_2 &
104233  +c2*e_4_2_2&
104234 
104235  )
104236  e_5_3_2 = zeta*( c1*e_4_2_2 &
104237 
104238 
104239  )
104240  e_0_4_2 = zeta*( &
104241  +c2*e_0_3_2&
104242  +2*e_1_3_2 &
104243  -6*e_0_2_2)
104244  e_1_4_2 = zeta*( c1*e_0_3_2 &
104245  +c2*e_1_3_2&
104246  +4*e_2_3_2 &
104247  -6*e_1_2_2)
104248  e_2_4_2 = zeta*( c1*e_1_3_2 &
104249  +c2*e_2_3_2&
104250  +6*e_3_3_2 &
104251  -6*e_2_2_2)
104252  e_3_4_2 = zeta*( c1*e_2_3_2 &
104253  +c2*e_3_3_2&
104254  +8*e_4_3_2 &
104255  -6*e_3_2_2)
104256  e_4_4_2 = zeta*( c1*e_3_3_2 &
104257  +c2*e_4_3_2&
104258  +10*e_5_3_2 &
104259  -6*e_4_2_2)
104260  e_5_4_2 = zeta*( c1*e_4_3_2 &
104261  +c2*e_5_3_2&
104262 
104263  )
104264  e_6_4_2 = zeta*( c1*e_5_3_2 &
104265 
104266 
104267  )
104268 
104269  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
104270  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
104271  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
104272  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
104273  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
104274  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
104275  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
104276  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
104277  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
104278  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
104279  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
104280  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
104281  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
104282  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
104283  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
104284  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
104285  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
104286  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
104287  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
104288  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
104289  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
104290  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
104291  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
104292  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
104293  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
104294  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
104295  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
104296  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
104297  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
104298  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
104299  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
104300  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
104301  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
104302  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
104303  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
104304  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
104305  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
104306  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
104307  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
104308  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
104309  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
104310  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
104311  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
104312  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
104313  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
104314  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
104315  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
104316  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
104317  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
104318  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
104319  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
104320  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
104321  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
104322  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
104323  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
104324  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
104325  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
104326  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
104327  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
104328  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
104329  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
104330  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
104331  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
104332  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
104333  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
104334  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
104335  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
104336  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
104337  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
104338  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
104339  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
104340  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
104341  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
104342  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
104343  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
104344  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
104345  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
104346  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
104347  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
104348  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
104349  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
104350  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
104351  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
104352  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
104353  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
104354  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
104355  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
104356  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
104357  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
104358  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
104359  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
104360  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
104361  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
104362  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
104363  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
104364  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
104365  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
104366  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
104367  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
104368  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
104369  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
104370  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
104371  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
104372  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
104373  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
104374  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
104375  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
104376  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
104377  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
104378  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
104379  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
104380  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
104381  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
104382  s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
104383  s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
104384  s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
104385  s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
104386  s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
104387  s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
104388  s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
104389  r1 = r1 + dr
104390  END DO
104391 
104392  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
104393  END SUBROUTINE
104394  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_2_2_exp_1 ( &
104395  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
104396  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
104397  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
104398  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
104399  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
104400  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
104401  r_pow_t, r_tmp, rr1_delta, rr2_delta
104402 
104403  REAL(kind=dp) :: c1, c2, c3
104404  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
104405  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
104406  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
104407  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
104408  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
104409  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
104410  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
104411  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
104412  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
104413  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
104414  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
104415  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2
104416 
104417  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
104418 
104419  dr = lgth
104420  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
104421 
104422  s_r(:, :, :) = 0.0_dp
104423 
104424  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
104425 
104426  h_to_c_0_0 = sqrt(alpha/pi)
104427 
104428  h_to_c_0_1 = 0.0_dp
104429  h_to_c_1_1 = +2*alpha*h_to_c_0_0
104430  h_to_c_0_2 = -1*h_to_c_1_1
104431  h_to_c_1_2 = +2*alpha*h_to_c_0_1
104432  h_to_c_2_2 = +2*alpha*h_to_c_1_1
104433  h_to_c_0_3 = -1*h_to_c_1_2
104434  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
104435  h_to_c_2_3 = +2*alpha*h_to_c_1_2
104436  h_to_c_3_3 = +2*alpha*h_to_c_2_2
104437  h_to_c_0_4 = -1*h_to_c_1_3
104438  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
104439  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
104440  h_to_c_3_4 = +2*alpha*h_to_c_2_3
104441  h_to_c_4_4 = +2*alpha*h_to_c_3_3
104442  h_to_c_0_5 = -1*h_to_c_1_4
104443  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
104444  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
104445  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
104446  h_to_c_4_5 = +2*alpha*h_to_c_3_4
104447  h_to_c_5_5 = +2*alpha*h_to_c_4_4
104448  h_to_c_0_6 = -1*h_to_c_1_5
104449  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
104450  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
104451  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
104452  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
104453  h_to_c_5_6 = +2*alpha*h_to_c_4_5
104454  h_to_c_6_6 = +2*alpha*h_to_c_5_5
104455  h_to_c_0_7 = -1*h_to_c_1_6
104456  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
104457  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
104458  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
104459  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
104460  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
104461  h_to_c_6_7 = +2*alpha*h_to_c_5_6
104462  h_to_c_7_7 = +2*alpha*h_to_c_6_6
104463  h_to_c_0_8 = -1*h_to_c_1_7
104464  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
104465  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
104466  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
104467  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
104468  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
104469  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
104470  h_to_c_7_8 = +2*alpha*h_to_c_6_7
104471  h_to_c_8_8 = +2*alpha*h_to_c_7_7
104472 
104473  exp_drsq = exp(-alpha*dr*dr)
104474  exp_2drsq = exp_drsq*exp_drsq
104475 
104476  rr1_delta = (ra - rb)/dr
104477 
104478  rr1_l = ceiling(-r_c(1) + rr1_delta)
104479  rr1_r = floor(r_c(1) + rr1_delta)
104480 
104481  r1 = rr1_l*dr
104482 
104483  alpha_e = zeta*zetb/(zeta + zetb)
104484 
104485  DO rr1 = rr1_l, rr1_r
104486  s_r_t_0 = 0.0_dp
104487  s_r_t2_0 = 0.0_dp
104488  s_r_t_1 = 0.0_dp
104489  s_r_t2_1 = 0.0_dp
104490  s_r_t_2 = 0.0_dp
104491  s_r_t2_2 = 0.0_dp
104492  s_r_t_3 = 0.0_dp
104493  s_r_t2_3 = 0.0_dp
104494  s_r_t_4 = 0.0_dp
104495  s_r_t2_4 = 0.0_dp
104496  s_r_t_5 = 0.0_dp
104497  s_r_t2_5 = 0.0_dp
104498  s_r_t_6 = 0.0_dp
104499  s_r_t2_6 = 0.0_dp
104500  s_r_t_7 = 0.0_dp
104501  s_r_t2_7 = 0.0_dp
104502  s_r_t_8 = 0.0_dp
104503  s_r_t2_8 = 0.0_dp
104504  r_tmp = r_offset + r1*zeta/(zeta + zetb)
104505  rr2_delta = -r_tmp/dr
104506 
104507  rr2_l = ceiling(-r_c(2) + rr2_delta)
104508  rr2_r = floor(r_c(2) + rr2_delta)
104509 
104510  r = r_tmp + (rr2_l)*dr
104511 
104512  exp2_2rdr = exp(-2*alpha*r*dr)
104513  exp2_rsq = exp(-alpha*r*r)
104514 
104515  DO rr2 = rr2_l, rr2_r
104516  r_pow_t = 1.0_dp
104517  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
104518  r_pow_t = r_pow_t*r
104519  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
104520  r_pow_t = r_pow_t*r
104521  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
104522  r_pow_t = r_pow_t*r
104523  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
104524  r_pow_t = r_pow_t*r
104525  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
104526  r_pow_t = r_pow_t*r
104527  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
104528  r_pow_t = r_pow_t*r
104529  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
104530  r_pow_t = r_pow_t*r
104531  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
104532  r_pow_t = r_pow_t*r
104533  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
104534 
104535  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
104536  exp2_2rdr = exp2_2rdr*exp_2drsq
104537  r = r + dr
104538  END DO
104539 
104540  ! C --> H
104541  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
104542  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
104543  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
104544  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
104545  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
104546  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
104547  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
104548  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
104549  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
104550  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
104551  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
104552  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
104553  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
104554  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
104555  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
104556  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
104557  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
104558  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
104559  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
104560  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
104561  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
104562  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
104563  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
104564  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
104565  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
104566  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
104567  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
104568  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
104569  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
104570  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
104571  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
104572  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
104573  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
104574  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
104575  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
104576  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
104577  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
104578  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
104579  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
104580  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
104581  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
104582  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
104583  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
104584  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
104585  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
104586 
104587  ! H --> HH
104588  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
104589 
104590  c1 = 1.0_dp/(zeta + zetb)
104591  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
104592  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
104593 
104594  e_0_1_0 = zeta*( &
104595  +c2*e_0_0_0&
104596 
104597  )
104598  e_0_0_1 = zetb*( &
104599  +c3*e_0_0_0&
104600 
104601  )
104602  e_1_1_0 = zeta*( c1*e_0_0_0 &
104603 
104604 
104605  )
104606  e_1_0_1 = zetb*( c1*e_0_0_0 &
104607 
104608 
104609  )
104610  e_0_2_0 = zeta*( &
104611  +c2*e_0_1_0&
104612  +2*e_1_1_0 &
104613  -2*e_0_0_0)
104614  e_0_1_1 = zetb*( &
104615  +c3*e_0_1_0&
104616  +2*e_1_1_0 &
104617  )
104618  e_1_2_0 = zeta*( c1*e_0_1_0 &
104619  +c2*e_1_1_0&
104620 
104621  )
104622  e_1_1_1 = zetb*( c1*e_0_1_0 &
104623  +c3*e_1_1_0&
104624 
104625  )
104626  e_2_2_0 = zeta*( c1*e_1_1_0 &
104627 
104628 
104629  )
104630  e_2_1_1 = zetb*( c1*e_1_1_0 &
104631 
104632 
104633  )
104634  e_0_3_0 = zeta*( &
104635  +c2*e_0_2_0&
104636  +2*e_1_2_0 &
104637  -4*e_0_1_0)
104638  e_0_2_1 = zetb*( &
104639  +c3*e_0_2_0&
104640  +2*e_1_2_0 &
104641  )
104642  e_1_3_0 = zeta*( c1*e_0_2_0 &
104643  +c2*e_1_2_0&
104644  +4*e_2_2_0 &
104645  -4*e_1_1_0)
104646  e_1_2_1 = zetb*( c1*e_0_2_0 &
104647  +c3*e_1_2_0&
104648  +4*e_2_2_0 &
104649  )
104650  e_2_3_0 = zeta*( c1*e_1_2_0 &
104651  +c2*e_2_2_0&
104652 
104653  )
104654  e_2_2_1 = zetb*( c1*e_1_2_0 &
104655  +c3*e_2_2_0&
104656 
104657  )
104658  e_3_3_0 = zeta*( c1*e_2_2_0 &
104659 
104660 
104661  )
104662  e_3_2_1 = zetb*( c1*e_2_2_0 &
104663 
104664 
104665  )
104666  e_0_4_0 = zeta*( &
104667  +c2*e_0_3_0&
104668  +2*e_1_3_0 &
104669  -6*e_0_2_0)
104670  e_0_3_1 = zetb*( &
104671  +c3*e_0_3_0&
104672  +2*e_1_3_0 &
104673  )
104674  e_1_4_0 = zeta*( c1*e_0_3_0 &
104675  +c2*e_1_3_0&
104676  +4*e_2_3_0 &
104677  -6*e_1_2_0)
104678  e_1_3_1 = zetb*( c1*e_0_3_0 &
104679  +c3*e_1_3_0&
104680  +4*e_2_3_0 &
104681  )
104682  e_2_4_0 = zeta*( c1*e_1_3_0 &
104683  +c2*e_2_3_0&
104684  +6*e_3_3_0 &
104685  -6*e_2_2_0)
104686  e_2_3_1 = zetb*( c1*e_1_3_0 &
104687  +c3*e_2_3_0&
104688  +6*e_3_3_0 &
104689  )
104690  e_3_4_0 = zeta*( c1*e_2_3_0 &
104691  +c2*e_3_3_0&
104692 
104693  )
104694  e_3_3_1 = zetb*( c1*e_2_3_0 &
104695  +c3*e_3_3_0&
104696 
104697  )
104698  e_4_4_0 = zeta*( c1*e_3_3_0 &
104699 
104700 
104701  )
104702  e_4_3_1 = zetb*( c1*e_3_3_0 &
104703 
104704 
104705  )
104706  e_0_4_1 = zetb*( &
104707  +c3*e_0_4_0&
104708  +2*e_1_4_0 &
104709  )
104710  e_1_4_1 = zetb*( c1*e_0_4_0 &
104711  +c3*e_1_4_0&
104712  +4*e_2_4_0 &
104713  )
104714  e_2_4_1 = zetb*( c1*e_1_4_0 &
104715  +c3*e_2_4_0&
104716  +6*e_3_4_0 &
104717  )
104718  e_3_4_1 = zetb*( c1*e_2_4_0 &
104719  +c3*e_3_4_0&
104720  +8*e_4_4_0 &
104721  )
104722  e_4_4_1 = zetb*( c1*e_3_4_0 &
104723  +c3*e_4_4_0&
104724 
104725  )
104726  e_5_4_1 = zetb*( c1*e_4_4_0 &
104727 
104728 
104729  )
104730  e_0_1_1 = zeta*( &
104731  +c2*e_0_0_1&
104732  +2*e_1_0_1 &
104733  )
104734  e_0_0_2 = zetb*( &
104735  +c3*e_0_0_1&
104736  +2*e_1_0_1 &
104737  -2*e_0_0_0)
104738  e_1_1_1 = zeta*( c1*e_0_0_1 &
104739  +c2*e_1_0_1&
104740 
104741  )
104742  e_1_0_2 = zetb*( c1*e_0_0_1 &
104743  +c3*e_1_0_1&
104744 
104745  )
104746  e_2_1_1 = zeta*( c1*e_1_0_1 &
104747 
104748 
104749  )
104750  e_2_0_2 = zetb*( c1*e_1_0_1 &
104751 
104752 
104753  )
104754  e_0_2_1 = zeta*( &
104755  +c2*e_0_1_1&
104756  +2*e_1_1_1 &
104757  -2*e_0_0_1)
104758  e_0_1_2 = zetb*( &
104759  +c3*e_0_1_1&
104760  +2*e_1_1_1 &
104761  -2*e_0_1_0)
104762  e_1_2_1 = zeta*( c1*e_0_1_1 &
104763  +c2*e_1_1_1&
104764  +4*e_2_1_1 &
104765  -2*e_1_0_1)
104766  e_1_1_2 = zetb*( c1*e_0_1_1 &
104767  +c3*e_1_1_1&
104768  +4*e_2_1_1 &
104769  -2*e_1_1_0)
104770  e_2_2_1 = zeta*( c1*e_1_1_1 &
104771  +c2*e_2_1_1&
104772 
104773  )
104774  e_2_1_2 = zetb*( c1*e_1_1_1 &
104775  +c3*e_2_1_1&
104776 
104777  )
104778  e_3_2_1 = zeta*( c1*e_2_1_1 &
104779 
104780 
104781  )
104782  e_3_1_2 = zetb*( c1*e_2_1_1 &
104783 
104784 
104785  )
104786  e_0_3_1 = zeta*( &
104787  +c2*e_0_2_1&
104788  +2*e_1_2_1 &
104789  -4*e_0_1_1)
104790  e_0_2_2 = zetb*( &
104791  +c3*e_0_2_1&
104792  +2*e_1_2_1 &
104793  -2*e_0_2_0)
104794  e_1_3_1 = zeta*( c1*e_0_2_1 &
104795  +c2*e_1_2_1&
104796  +4*e_2_2_1 &
104797  -4*e_1_1_1)
104798  e_1_2_2 = zetb*( c1*e_0_2_1 &
104799  +c3*e_1_2_1&
104800  +4*e_2_2_1 &
104801  -2*e_1_2_0)
104802  e_2_3_1 = zeta*( c1*e_1_2_1 &
104803  +c2*e_2_2_1&
104804  +6*e_3_2_1 &
104805  -4*e_2_1_1)
104806  e_2_2_2 = zetb*( c1*e_1_2_1 &
104807  +c3*e_2_2_1&
104808  +6*e_3_2_1 &
104809  -2*e_2_2_0)
104810  e_3_3_1 = zeta*( c1*e_2_2_1 &
104811  +c2*e_3_2_1&
104812 
104813  )
104814  e_3_2_2 = zetb*( c1*e_2_2_1 &
104815  +c3*e_3_2_1&
104816 
104817  )
104818  e_4_3_1 = zeta*( c1*e_3_2_1 &
104819 
104820 
104821  )
104822  e_4_2_2 = zetb*( c1*e_3_2_1 &
104823 
104824 
104825  )
104826  e_0_4_1 = zeta*( &
104827  +c2*e_0_3_1&
104828  +2*e_1_3_1 &
104829  -6*e_0_2_1)
104830  e_0_3_2 = zetb*( &
104831  +c3*e_0_3_1&
104832  +2*e_1_3_1 &
104833  -2*e_0_3_0)
104834  e_1_4_1 = zeta*( c1*e_0_3_1 &
104835  +c2*e_1_3_1&
104836  +4*e_2_3_1 &
104837  -6*e_1_2_1)
104838  e_1_3_2 = zetb*( c1*e_0_3_1 &
104839  +c3*e_1_3_1&
104840  +4*e_2_3_1 &
104841  -2*e_1_3_0)
104842  e_2_4_1 = zeta*( c1*e_1_3_1 &
104843  +c2*e_2_3_1&
104844  +6*e_3_3_1 &
104845  -6*e_2_2_1)
104846  e_2_3_2 = zetb*( c1*e_1_3_1 &
104847  +c3*e_2_3_1&
104848  +6*e_3_3_1 &
104849  -2*e_2_3_0)
104850  e_3_4_1 = zeta*( c1*e_2_3_1 &
104851  +c2*e_3_3_1&
104852  +8*e_4_3_1 &
104853  -6*e_3_2_1)
104854  e_3_3_2 = zetb*( c1*e_2_3_1 &
104855  +c3*e_3_3_1&
104856  +8*e_4_3_1 &
104857  -2*e_3_3_0)
104858  e_4_4_1 = zeta*( c1*e_3_3_1 &
104859  +c2*e_4_3_1&
104860 
104861  )
104862  e_4_3_2 = zetb*( c1*e_3_3_1 &
104863  +c3*e_4_3_1&
104864 
104865  )
104866  e_5_4_1 = zeta*( c1*e_4_3_1 &
104867 
104868 
104869  )
104870  e_5_3_2 = zetb*( c1*e_4_3_1 &
104871 
104872 
104873  )
104874  e_0_4_2 = zetb*( &
104875  +c3*e_0_4_1&
104876  +2*e_1_4_1 &
104877  -2*e_0_4_0)
104878  e_1_4_2 = zetb*( c1*e_0_4_1 &
104879  +c3*e_1_4_1&
104880  +4*e_2_4_1 &
104881  -2*e_1_4_0)
104882  e_2_4_2 = zetb*( c1*e_1_4_1 &
104883  +c3*e_2_4_1&
104884  +6*e_3_4_1 &
104885  -2*e_2_4_0)
104886  e_3_4_2 = zetb*( c1*e_2_4_1 &
104887  +c3*e_3_4_1&
104888  +8*e_4_4_1 &
104889  -2*e_3_4_0)
104890  e_4_4_2 = zetb*( c1*e_3_4_1 &
104891  +c3*e_4_4_1&
104892  +10*e_5_4_1 &
104893  -2*e_4_4_0)
104894  e_5_4_2 = zetb*( c1*e_4_4_1 &
104895  +c3*e_5_4_1&
104896 
104897  )
104898  e_6_4_2 = zetb*( c1*e_5_4_1 &
104899 
104900 
104901  )
104902  e_0_1_2 = zeta*( &
104903  +c2*e_0_0_2&
104904  +2*e_1_0_2 &
104905  )
104906  e_1_1_2 = zeta*( c1*e_0_0_2 &
104907  +c2*e_1_0_2&
104908  +4*e_2_0_2 &
104909  )
104910  e_2_1_2 = zeta*( c1*e_1_0_2 &
104911  +c2*e_2_0_2&
104912 
104913  )
104914  e_3_1_2 = zeta*( c1*e_2_0_2 &
104915 
104916 
104917  )
104918  e_0_2_2 = zeta*( &
104919  +c2*e_0_1_2&
104920  +2*e_1_1_2 &
104921  -2*e_0_0_2)
104922  e_1_2_2 = zeta*( c1*e_0_1_2 &
104923  +c2*e_1_1_2&
104924  +4*e_2_1_2 &
104925  -2*e_1_0_2)
104926  e_2_2_2 = zeta*( c1*e_1_1_2 &
104927  +c2*e_2_1_2&
104928  +6*e_3_1_2 &
104929  -2*e_2_0_2)
104930  e_3_2_2 = zeta*( c1*e_2_1_2 &
104931  +c2*e_3_1_2&
104932 
104933  )
104934  e_4_2_2 = zeta*( c1*e_3_1_2 &
104935 
104936 
104937  )
104938  e_0_3_2 = zeta*( &
104939  +c2*e_0_2_2&
104940  +2*e_1_2_2 &
104941  -4*e_0_1_2)
104942  e_1_3_2 = zeta*( c1*e_0_2_2 &
104943  +c2*e_1_2_2&
104944  +4*e_2_2_2 &
104945  -4*e_1_1_2)
104946  e_2_3_2 = zeta*( c1*e_1_2_2 &
104947  +c2*e_2_2_2&
104948  +6*e_3_2_2 &
104949  -4*e_2_1_2)
104950  e_3_3_2 = zeta*( c1*e_2_2_2 &
104951  +c2*e_3_2_2&
104952  +8*e_4_2_2 &
104953  -4*e_3_1_2)
104954  e_4_3_2 = zeta*( c1*e_3_2_2 &
104955  +c2*e_4_2_2&
104956 
104957  )
104958  e_5_3_2 = zeta*( c1*e_4_2_2 &
104959 
104960 
104961  )
104962  e_0_4_2 = zeta*( &
104963  +c2*e_0_3_2&
104964  +2*e_1_3_2 &
104965  -6*e_0_2_2)
104966  e_1_4_2 = zeta*( c1*e_0_3_2 &
104967  +c2*e_1_3_2&
104968  +4*e_2_3_2 &
104969  -6*e_1_2_2)
104970  e_2_4_2 = zeta*( c1*e_1_3_2 &
104971  +c2*e_2_3_2&
104972  +6*e_3_3_2 &
104973  -6*e_2_2_2)
104974  e_3_4_2 = zeta*( c1*e_2_3_2 &
104975  +c2*e_3_3_2&
104976  +8*e_4_3_2 &
104977  -6*e_3_2_2)
104978  e_4_4_2 = zeta*( c1*e_3_3_2 &
104979  +c2*e_4_3_2&
104980  +10*e_5_3_2 &
104981  -6*e_4_2_2)
104982  e_5_4_2 = zeta*( c1*e_4_3_2 &
104983  +c2*e_5_3_2&
104984 
104985  )
104986  e_6_4_2 = zeta*( c1*e_5_3_2 &
104987 
104988 
104989  )
104990 
104991  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
104992  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
104993  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
104994  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
104995  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
104996  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
104997  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
104998  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
104999  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
105000  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
105001  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
105002  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
105003  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
105004  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
105005  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
105006  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
105007  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
105008  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
105009  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
105010  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
105011  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
105012  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
105013  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
105014  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
105015  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
105016  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
105017  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
105018  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
105019  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
105020  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
105021  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
105022  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
105023  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
105024  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
105025  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
105026  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
105027  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
105028  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
105029  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
105030  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
105031  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
105032  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
105033  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
105034  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
105035  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
105036  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
105037  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
105038  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
105039  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
105040  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
105041  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
105042  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
105043  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
105044  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
105045  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
105046  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
105047  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
105048  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
105049  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
105050  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
105051  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
105052  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
105053  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
105054  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
105055  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
105056  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
105057  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
105058  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
105059  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
105060  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
105061  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
105062  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
105063  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
105064  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
105065  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
105066  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
105067  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
105068  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
105069  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
105070  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
105071  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
105072  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
105073  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
105074  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
105075  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
105076  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
105077  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
105078  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
105079  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
105080  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
105081  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
105082  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
105083  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
105084  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
105085  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
105086  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
105087  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
105088  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
105089  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
105090  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
105091  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
105092  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
105093  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
105094  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
105095  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
105096  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
105097  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
105098  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
105099  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
105100  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
105101  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
105102  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
105103  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
105104  s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
105105  s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
105106  s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
105107  s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
105108  s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
105109  s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
105110  s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
105111  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
105112  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
105113  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
105114  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
105115  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
105116  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
105117  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
105118  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
105119  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
105120  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
105121  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
105122  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
105123  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
105124  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
105125  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
105126  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
105127  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
105128  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
105129  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
105130  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
105131  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
105132  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
105133  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
105134  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
105135  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
105136  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
105137  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
105138  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
105139  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
105140  s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
105141  s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
105142  s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
105143  s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
105144  s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
105145  s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
105146  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
105147  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
105148  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
105149  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
105150  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
105151  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
105152  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
105153  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
105154  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
105155  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
105156  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
105157  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
105158  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
105159  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
105160  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
105161  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
105162  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
105163  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
105164  s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
105165  s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
105166  s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
105167  s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
105168  s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
105169  s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
105170  s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
105171  r1 = r1 + dr
105172  END DO
105173 
105174  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
105175  END SUBROUTINE
105176  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_2_3_exp_1 ( &
105177  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
105178  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
105179  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
105180  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
105181  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
105182  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
105183  r_pow_t, r_tmp, rr1_delta, rr2_delta
105184 
105185  REAL(kind=dp) :: c1, c2, c3
105186  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
105187  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
105188  & s_r_t2_9
105189  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
105190  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
105191  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
105192  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
105193  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
105194  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
105195  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
105196  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
105197  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
105198  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
105199  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2
105200 
105201  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
105202 
105203  dr = lgth
105204  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
105205 
105206  s_r(:, :, :) = 0.0_dp
105207 
105208  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
105209 
105210  h_to_c_0_0 = sqrt(alpha/pi)
105211 
105212  h_to_c_0_1 = 0.0_dp
105213  h_to_c_1_1 = +2*alpha*h_to_c_0_0
105214  h_to_c_0_2 = -1*h_to_c_1_1
105215  h_to_c_1_2 = +2*alpha*h_to_c_0_1
105216  h_to_c_2_2 = +2*alpha*h_to_c_1_1
105217  h_to_c_0_3 = -1*h_to_c_1_2
105218  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
105219  h_to_c_2_3 = +2*alpha*h_to_c_1_2
105220  h_to_c_3_3 = +2*alpha*h_to_c_2_2
105221  h_to_c_0_4 = -1*h_to_c_1_3
105222  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
105223  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
105224  h_to_c_3_4 = +2*alpha*h_to_c_2_3
105225  h_to_c_4_4 = +2*alpha*h_to_c_3_3
105226  h_to_c_0_5 = -1*h_to_c_1_4
105227  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
105228  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
105229  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
105230  h_to_c_4_5 = +2*alpha*h_to_c_3_4
105231  h_to_c_5_5 = +2*alpha*h_to_c_4_4
105232  h_to_c_0_6 = -1*h_to_c_1_5
105233  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
105234  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
105235  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
105236  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
105237  h_to_c_5_6 = +2*alpha*h_to_c_4_5
105238  h_to_c_6_6 = +2*alpha*h_to_c_5_5
105239  h_to_c_0_7 = -1*h_to_c_1_6
105240  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
105241  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
105242  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
105243  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
105244  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
105245  h_to_c_6_7 = +2*alpha*h_to_c_5_6
105246  h_to_c_7_7 = +2*alpha*h_to_c_6_6
105247  h_to_c_0_8 = -1*h_to_c_1_7
105248  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
105249  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
105250  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
105251  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
105252  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
105253  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
105254  h_to_c_7_8 = +2*alpha*h_to_c_6_7
105255  h_to_c_8_8 = +2*alpha*h_to_c_7_7
105256  h_to_c_0_9 = -1*h_to_c_1_8
105257  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
105258  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
105259  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
105260  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
105261  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
105262  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
105263  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
105264  h_to_c_8_9 = +2*alpha*h_to_c_7_8
105265  h_to_c_9_9 = +2*alpha*h_to_c_8_8
105266 
105267  exp_drsq = exp(-alpha*dr*dr)
105268  exp_2drsq = exp_drsq*exp_drsq
105269 
105270  rr1_delta = (ra - rb)/dr
105271 
105272  rr1_l = ceiling(-r_c(1) + rr1_delta)
105273  rr1_r = floor(r_c(1) + rr1_delta)
105274 
105275  r1 = rr1_l*dr
105276 
105277  alpha_e = zeta*zetb/(zeta + zetb)
105278 
105279  DO rr1 = rr1_l, rr1_r
105280  s_r_t_0 = 0.0_dp
105281  s_r_t2_0 = 0.0_dp
105282  s_r_t_1 = 0.0_dp
105283  s_r_t2_1 = 0.0_dp
105284  s_r_t_2 = 0.0_dp
105285  s_r_t2_2 = 0.0_dp
105286  s_r_t_3 = 0.0_dp
105287  s_r_t2_3 = 0.0_dp
105288  s_r_t_4 = 0.0_dp
105289  s_r_t2_4 = 0.0_dp
105290  s_r_t_5 = 0.0_dp
105291  s_r_t2_5 = 0.0_dp
105292  s_r_t_6 = 0.0_dp
105293  s_r_t2_6 = 0.0_dp
105294  s_r_t_7 = 0.0_dp
105295  s_r_t2_7 = 0.0_dp
105296  s_r_t_8 = 0.0_dp
105297  s_r_t2_8 = 0.0_dp
105298  s_r_t_9 = 0.0_dp
105299  s_r_t2_9 = 0.0_dp
105300  r_tmp = r_offset + r1*zeta/(zeta + zetb)
105301  rr2_delta = -r_tmp/dr
105302 
105303  rr2_l = ceiling(-r_c(2) + rr2_delta)
105304  rr2_r = floor(r_c(2) + rr2_delta)
105305 
105306  r = r_tmp + (rr2_l)*dr
105307 
105308  exp2_2rdr = exp(-2*alpha*r*dr)
105309  exp2_rsq = exp(-alpha*r*r)
105310 
105311  DO rr2 = rr2_l, rr2_r
105312  r_pow_t = 1.0_dp
105313  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
105314  r_pow_t = r_pow_t*r
105315  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
105316  r_pow_t = r_pow_t*r
105317  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
105318  r_pow_t = r_pow_t*r
105319  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
105320  r_pow_t = r_pow_t*r
105321  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
105322  r_pow_t = r_pow_t*r
105323  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
105324  r_pow_t = r_pow_t*r
105325  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
105326  r_pow_t = r_pow_t*r
105327  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
105328  r_pow_t = r_pow_t*r
105329  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
105330  r_pow_t = r_pow_t*r
105331  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
105332 
105333  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
105334  exp2_2rdr = exp2_2rdr*exp_2drsq
105335  r = r + dr
105336  END DO
105337 
105338  ! C --> H
105339  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
105340  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
105341  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
105342  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
105343  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
105344  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
105345  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
105346  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
105347  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
105348  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
105349  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
105350  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
105351  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
105352  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
105353  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
105354  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
105355  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
105356  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
105357  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
105358  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
105359  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
105360  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
105361  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
105362  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
105363  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
105364  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
105365  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
105366  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
105367  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
105368  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
105369  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
105370  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
105371  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
105372  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
105373  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
105374  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
105375  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
105376  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
105377  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
105378  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
105379  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
105380  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
105381  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
105382  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
105383  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
105384  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
105385  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
105386  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
105387  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
105388  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
105389  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
105390  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
105391  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
105392  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
105393  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
105394 
105395  ! H --> HH
105396  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
105397 
105398  c1 = 1.0_dp/(zeta + zetb)
105399  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
105400  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
105401 
105402  e_0_1_0 = zeta*( &
105403  +c2*e_0_0_0&
105404 
105405  )
105406  e_0_0_1 = zetb*( &
105407  +c3*e_0_0_0&
105408 
105409  )
105410  e_1_1_0 = zeta*( c1*e_0_0_0 &
105411 
105412 
105413  )
105414  e_1_0_1 = zetb*( c1*e_0_0_0 &
105415 
105416 
105417  )
105418  e_0_2_0 = zeta*( &
105419  +c2*e_0_1_0&
105420  +2*e_1_1_0 &
105421  -2*e_0_0_0)
105422  e_0_1_1 = zetb*( &
105423  +c3*e_0_1_0&
105424  +2*e_1_1_0 &
105425  )
105426  e_1_2_0 = zeta*( c1*e_0_1_0 &
105427  +c2*e_1_1_0&
105428 
105429  )
105430  e_1_1_1 = zetb*( c1*e_0_1_0 &
105431  +c3*e_1_1_0&
105432 
105433  )
105434  e_2_2_0 = zeta*( c1*e_1_1_0 &
105435 
105436 
105437  )
105438  e_2_1_1 = zetb*( c1*e_1_1_0 &
105439 
105440 
105441  )
105442  e_0_3_0 = zeta*( &
105443  +c2*e_0_2_0&
105444  +2*e_1_2_0 &
105445  -4*e_0_1_0)
105446  e_0_2_1 = zetb*( &
105447  +c3*e_0_2_0&
105448  +2*e_1_2_0 &
105449  )
105450  e_1_3_0 = zeta*( c1*e_0_2_0 &
105451  +c2*e_1_2_0&
105452  +4*e_2_2_0 &
105453  -4*e_1_1_0)
105454  e_1_2_1 = zetb*( c1*e_0_2_0 &
105455  +c3*e_1_2_0&
105456  +4*e_2_2_0 &
105457  )
105458  e_2_3_0 = zeta*( c1*e_1_2_0 &
105459  +c2*e_2_2_0&
105460 
105461  )
105462  e_2_2_1 = zetb*( c1*e_1_2_0 &
105463  +c3*e_2_2_0&
105464 
105465  )
105466  e_3_3_0 = zeta*( c1*e_2_2_0 &
105467 
105468 
105469  )
105470  e_3_2_1 = zetb*( c1*e_2_2_0 &
105471 
105472 
105473  )
105474  e_0_4_0 = zeta*( &
105475  +c2*e_0_3_0&
105476  +2*e_1_3_0 &
105477  -6*e_0_2_0)
105478  e_0_3_1 = zetb*( &
105479  +c3*e_0_3_0&
105480  +2*e_1_3_0 &
105481  )
105482  e_1_4_0 = zeta*( c1*e_0_3_0 &
105483  +c2*e_1_3_0&
105484  +4*e_2_3_0 &
105485  -6*e_1_2_0)
105486  e_1_3_1 = zetb*( c1*e_0_3_0 &
105487  +c3*e_1_3_0&
105488  +4*e_2_3_0 &
105489  )
105490  e_2_4_0 = zeta*( c1*e_1_3_0 &
105491  +c2*e_2_3_0&
105492  +6*e_3_3_0 &
105493  -6*e_2_2_0)
105494  e_2_3_1 = zetb*( c1*e_1_3_0 &
105495  +c3*e_2_3_0&
105496  +6*e_3_3_0 &
105497  )
105498  e_3_4_0 = zeta*( c1*e_2_3_0 &
105499  +c2*e_3_3_0&
105500 
105501  )
105502  e_3_3_1 = zetb*( c1*e_2_3_0 &
105503  +c3*e_3_3_0&
105504 
105505  )
105506  e_4_4_0 = zeta*( c1*e_3_3_0 &
105507 
105508 
105509  )
105510  e_4_3_1 = zetb*( c1*e_3_3_0 &
105511 
105512 
105513  )
105514  e_0_4_1 = zetb*( &
105515  +c3*e_0_4_0&
105516  +2*e_1_4_0 &
105517  )
105518  e_1_4_1 = zetb*( c1*e_0_4_0 &
105519  +c3*e_1_4_0&
105520  +4*e_2_4_0 &
105521  )
105522  e_2_4_1 = zetb*( c1*e_1_4_0 &
105523  +c3*e_2_4_0&
105524  +6*e_3_4_0 &
105525  )
105526  e_3_4_1 = zetb*( c1*e_2_4_0 &
105527  +c3*e_3_4_0&
105528  +8*e_4_4_0 &
105529  )
105530  e_4_4_1 = zetb*( c1*e_3_4_0 &
105531  +c3*e_4_4_0&
105532 
105533  )
105534  e_5_4_1 = zetb*( c1*e_4_4_0 &
105535 
105536 
105537  )
105538  e_0_1_1 = zeta*( &
105539  +c2*e_0_0_1&
105540  +2*e_1_0_1 &
105541  )
105542  e_0_0_2 = zetb*( &
105543  +c3*e_0_0_1&
105544  +2*e_1_0_1 &
105545  -2*e_0_0_0)
105546  e_1_1_1 = zeta*( c1*e_0_0_1 &
105547  +c2*e_1_0_1&
105548 
105549  )
105550  e_1_0_2 = zetb*( c1*e_0_0_1 &
105551  +c3*e_1_0_1&
105552 
105553  )
105554  e_2_1_1 = zeta*( c1*e_1_0_1 &
105555 
105556 
105557  )
105558  e_2_0_2 = zetb*( c1*e_1_0_1 &
105559 
105560 
105561  )
105562  e_0_2_1 = zeta*( &
105563  +c2*e_0_1_1&
105564  +2*e_1_1_1 &
105565  -2*e_0_0_1)
105566  e_0_1_2 = zetb*( &
105567  +c3*e_0_1_1&
105568  +2*e_1_1_1 &
105569  -2*e_0_1_0)
105570  e_1_2_1 = zeta*( c1*e_0_1_1 &
105571  +c2*e_1_1_1&
105572  +4*e_2_1_1 &
105573  -2*e_1_0_1)
105574  e_1_1_2 = zetb*( c1*e_0_1_1 &
105575  +c3*e_1_1_1&
105576  +4*e_2_1_1 &
105577  -2*e_1_1_0)
105578  e_2_2_1 = zeta*( c1*e_1_1_1 &
105579  +c2*e_2_1_1&
105580 
105581  )
105582  e_2_1_2 = zetb*( c1*e_1_1_1 &
105583  +c3*e_2_1_1&
105584 
105585  )
105586  e_3_2_1 = zeta*( c1*e_2_1_1 &
105587 
105588 
105589  )
105590  e_3_1_2 = zetb*( c1*e_2_1_1 &
105591 
105592 
105593  )
105594  e_0_3_1 = zeta*( &
105595  +c2*e_0_2_1&
105596  +2*e_1_2_1 &
105597  -4*e_0_1_1)
105598  e_0_2_2 = zetb*( &
105599  +c3*e_0_2_1&
105600  +2*e_1_2_1 &
105601  -2*e_0_2_0)
105602  e_1_3_1 = zeta*( c1*e_0_2_1 &
105603  +c2*e_1_2_1&
105604  +4*e_2_2_1 &
105605  -4*e_1_1_1)
105606  e_1_2_2 = zetb*( c1*e_0_2_1 &
105607  +c3*e_1_2_1&
105608  +4*e_2_2_1 &
105609  -2*e_1_2_0)
105610  e_2_3_1 = zeta*( c1*e_1_2_1 &
105611  +c2*e_2_2_1&
105612  +6*e_3_2_1 &
105613  -4*e_2_1_1)
105614  e_2_2_2 = zetb*( c1*e_1_2_1 &
105615  +c3*e_2_2_1&
105616  +6*e_3_2_1 &
105617  -2*e_2_2_0)
105618  e_3_3_1 = zeta*( c1*e_2_2_1 &
105619  +c2*e_3_2_1&
105620 
105621  )
105622  e_3_2_2 = zetb*( c1*e_2_2_1 &
105623  +c3*e_3_2_1&
105624 
105625  )
105626  e_4_3_1 = zeta*( c1*e_3_2_1 &
105627 
105628 
105629  )
105630  e_4_2_2 = zetb*( c1*e_3_2_1 &
105631 
105632 
105633  )
105634  e_0_4_1 = zeta*( &
105635  +c2*e_0_3_1&
105636  +2*e_1_3_1 &
105637  -6*e_0_2_1)
105638  e_0_3_2 = zetb*( &
105639  +c3*e_0_3_1&
105640  +2*e_1_3_1 &
105641  -2*e_0_3_0)
105642  e_1_4_1 = zeta*( c1*e_0_3_1 &
105643  +c2*e_1_3_1&
105644  +4*e_2_3_1 &
105645  -6*e_1_2_1)
105646  e_1_3_2 = zetb*( c1*e_0_3_1 &
105647  +c3*e_1_3_1&
105648  +4*e_2_3_1 &
105649  -2*e_1_3_0)
105650  e_2_4_1 = zeta*( c1*e_1_3_1 &
105651  +c2*e_2_3_1&
105652  +6*e_3_3_1 &
105653  -6*e_2_2_1)
105654  e_2_3_2 = zetb*( c1*e_1_3_1 &
105655  +c3*e_2_3_1&
105656  +6*e_3_3_1 &
105657  -2*e_2_3_0)
105658  e_3_4_1 = zeta*( c1*e_2_3_1 &
105659  +c2*e_3_3_1&
105660  +8*e_4_3_1 &
105661  -6*e_3_2_1)
105662  e_3_3_2 = zetb*( c1*e_2_3_1 &
105663  +c3*e_3_3_1&
105664  +8*e_4_3_1 &
105665  -2*e_3_3_0)
105666  e_4_4_1 = zeta*( c1*e_3_3_1 &
105667  +c2*e_4_3_1&
105668 
105669  )
105670  e_4_3_2 = zetb*( c1*e_3_3_1 &
105671  +c3*e_4_3_1&
105672 
105673  )
105674  e_5_4_1 = zeta*( c1*e_4_3_1 &
105675 
105676 
105677  )
105678  e_5_3_2 = zetb*( c1*e_4_3_1 &
105679 
105680 
105681  )
105682  e_0_4_2 = zetb*( &
105683  +c3*e_0_4_1&
105684  +2*e_1_4_1 &
105685  -2*e_0_4_0)
105686  e_1_4_2 = zetb*( c1*e_0_4_1 &
105687  +c3*e_1_4_1&
105688  +4*e_2_4_1 &
105689  -2*e_1_4_0)
105690  e_2_4_2 = zetb*( c1*e_1_4_1 &
105691  +c3*e_2_4_1&
105692  +6*e_3_4_1 &
105693  -2*e_2_4_0)
105694  e_3_4_2 = zetb*( c1*e_2_4_1 &
105695  +c3*e_3_4_1&
105696  +8*e_4_4_1 &
105697  -2*e_3_4_0)
105698  e_4_4_2 = zetb*( c1*e_3_4_1 &
105699  +c3*e_4_4_1&
105700  +10*e_5_4_1 &
105701  -2*e_4_4_0)
105702  e_5_4_2 = zetb*( c1*e_4_4_1 &
105703  +c3*e_5_4_1&
105704 
105705  )
105706  e_6_4_2 = zetb*( c1*e_5_4_1 &
105707 
105708 
105709  )
105710  e_0_1_2 = zeta*( &
105711  +c2*e_0_0_2&
105712  +2*e_1_0_2 &
105713  )
105714  e_1_1_2 = zeta*( c1*e_0_0_2 &
105715  +c2*e_1_0_2&
105716  +4*e_2_0_2 &
105717  )
105718  e_2_1_2 = zeta*( c1*e_1_0_2 &
105719  +c2*e_2_0_2&
105720 
105721  )
105722  e_3_1_2 = zeta*( c1*e_2_0_2 &
105723 
105724 
105725  )
105726  e_0_2_2 = zeta*( &
105727  +c2*e_0_1_2&
105728  +2*e_1_1_2 &
105729  -2*e_0_0_2)
105730  e_1_2_2 = zeta*( c1*e_0_1_2 &
105731  +c2*e_1_1_2&
105732  +4*e_2_1_2 &
105733  -2*e_1_0_2)
105734  e_2_2_2 = zeta*( c1*e_1_1_2 &
105735  +c2*e_2_1_2&
105736  +6*e_3_1_2 &
105737  -2*e_2_0_2)
105738  e_3_2_2 = zeta*( c1*e_2_1_2 &
105739  +c2*e_3_1_2&
105740 
105741  )
105742  e_4_2_2 = zeta*( c1*e_3_1_2 &
105743 
105744 
105745  )
105746  e_0_3_2 = zeta*( &
105747  +c2*e_0_2_2&
105748  +2*e_1_2_2 &
105749  -4*e_0_1_2)
105750  e_1_3_2 = zeta*( c1*e_0_2_2 &
105751  +c2*e_1_2_2&
105752  +4*e_2_2_2 &
105753  -4*e_1_1_2)
105754  e_2_3_2 = zeta*( c1*e_1_2_2 &
105755  +c2*e_2_2_2&
105756  +6*e_3_2_2 &
105757  -4*e_2_1_2)
105758  e_3_3_2 = zeta*( c1*e_2_2_2 &
105759  +c2*e_3_2_2&
105760  +8*e_4_2_2 &
105761  -4*e_3_1_2)
105762  e_4_3_2 = zeta*( c1*e_3_2_2 &
105763  +c2*e_4_2_2&
105764 
105765  )
105766  e_5_3_2 = zeta*( c1*e_4_2_2 &
105767 
105768 
105769  )
105770  e_0_4_2 = zeta*( &
105771  +c2*e_0_3_2&
105772  +2*e_1_3_2 &
105773  -6*e_0_2_2)
105774  e_1_4_2 = zeta*( c1*e_0_3_2 &
105775  +c2*e_1_3_2&
105776  +4*e_2_3_2 &
105777  -6*e_1_2_2)
105778  e_2_4_2 = zeta*( c1*e_1_3_2 &
105779  +c2*e_2_3_2&
105780  +6*e_3_3_2 &
105781  -6*e_2_2_2)
105782  e_3_4_2 = zeta*( c1*e_2_3_2 &
105783  +c2*e_3_3_2&
105784  +8*e_4_3_2 &
105785  -6*e_3_2_2)
105786  e_4_4_2 = zeta*( c1*e_3_3_2 &
105787  +c2*e_4_3_2&
105788  +10*e_5_3_2 &
105789  -6*e_4_2_2)
105790  e_5_4_2 = zeta*( c1*e_4_3_2 &
105791  +c2*e_5_3_2&
105792 
105793  )
105794  e_6_4_2 = zeta*( c1*e_5_3_2 &
105795 
105796 
105797  )
105798 
105799  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
105800  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
105801  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
105802  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
105803  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
105804  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
105805  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
105806  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
105807  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
105808  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
105809  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
105810  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
105811  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
105812  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
105813  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
105814  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
105815  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
105816  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
105817  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
105818  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
105819  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
105820  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
105821  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
105822  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
105823  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
105824  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
105825  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
105826  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
105827  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
105828  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
105829  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
105830  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
105831  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
105832  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
105833  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
105834  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
105835  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
105836  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
105837  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
105838  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
105839  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
105840  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
105841  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
105842  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
105843  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
105844  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
105845  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
105846  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
105847  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
105848  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
105849  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
105850  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
105851  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
105852  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
105853  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
105854  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
105855  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
105856  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
105857  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
105858  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
105859  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
105860  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
105861  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
105862  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
105863  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
105864  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
105865  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
105866  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
105867  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
105868  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
105869  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
105870  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
105871  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
105872  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
105873  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
105874  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
105875  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
105876  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
105877  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
105878  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
105879  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
105880  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
105881  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
105882  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
105883  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
105884  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
105885  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
105886  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
105887  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
105888  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
105889  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
105890  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
105891  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
105892  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
105893  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
105894  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
105895  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
105896  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
105897  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
105898  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
105899  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
105900  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
105901  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
105902  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
105903  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
105904  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
105905  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
105906  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
105907  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
105908  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
105909  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
105910  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
105911  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
105912  s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
105913  s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
105914  s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
105915  s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
105916  s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
105917  s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
105918  s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
105919  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
105920  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
105921  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
105922  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
105923  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
105924  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
105925  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
105926  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
105927  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
105928  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
105929  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
105930  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
105931  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
105932  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
105933  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
105934  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
105935  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
105936  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
105937  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
105938  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
105939  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
105940  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
105941  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
105942  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
105943  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
105944  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
105945  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
105946  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
105947  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
105948  s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
105949  s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
105950  s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
105951  s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
105952  s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
105953  s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
105954  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
105955  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
105956  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
105957  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
105958  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
105959  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
105960  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
105961  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
105962  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
105963  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
105964  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
105965  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
105966  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
105967  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
105968  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
105969  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
105970  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
105971  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
105972  s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
105973  s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
105974  s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
105975  s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
105976  s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
105977  s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
105978  s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
105979  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
105980  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
105981  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
105982  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
105983  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
105984  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
105985  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
105986  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
105987  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
105988  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
105989  s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
105990  s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
105991  s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
105992  s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
105993  s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
105994  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
105995  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
105996  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
105997  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
105998  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
105999  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
106000  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
106001  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
106002  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
106003  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
106004  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
106005  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
106006  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
106007  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
106008  s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
106009  s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
106010  s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
106011  s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
106012  s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
106013  s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
106014  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
106015  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
106016  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
106017  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
106018  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
106019  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
106020  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
106021  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
106022  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
106023  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
106024  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
106025  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
106026  s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
106027  s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
106028  s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
106029  s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
106030  s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
106031  s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
106032  s_r(4, 2, 3) = s_r(4, 2, 3) + e_0_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
106033  s_r(4, 2, 3) = s_r(4, 2, 3) + e_1_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
106034  s_r(4, 2, 3) = s_r(4, 2, 3) + e_2_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
106035  s_r(4, 2, 3) = s_r(4, 2, 3) + e_3_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
106036  s_r(4, 2, 3) = s_r(4, 2, 3) + e_4_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
106037  s_r(4, 2, 3) = s_r(4, 2, 3) + e_5_4_2*(-1)*s_r_t2_8 ! cost: 5 flops
106038  s_r(4, 2, 3) = s_r(4, 2, 3) + e_6_4_2*(-1)*s_r_t2_9 ! cost: 5 flops
106039  r1 = r1 + dr
106040  END DO
106041 
106042  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
106043  END SUBROUTINE
106044  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_2_4_exp_1 ( &
106045  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
106046  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
106047  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
106048  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
106049  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
106050  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
106051  r_pow_t, r_tmp, rr1_delta, rr2_delta
106052 
106053  REAL(kind=dp) :: c1, c2, c3
106054  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
106055  & s_r_t_10
106056  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
106057  & s_r_t2_9, s_r_t2_10
106058  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
106059  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
106060  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
106061  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
106062  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
106063  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
106064  & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10
106065  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
106066  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
106067  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
106068  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
106069  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2
106070 
106071  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
106072 
106073  dr = lgth
106074  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
106075 
106076  s_r(:, :, :) = 0.0_dp
106077 
106078  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
106079 
106080  h_to_c_0_0 = sqrt(alpha/pi)
106081 
106082  h_to_c_0_1 = 0.0_dp
106083  h_to_c_1_1 = +2*alpha*h_to_c_0_0
106084  h_to_c_0_2 = -1*h_to_c_1_1
106085  h_to_c_1_2 = +2*alpha*h_to_c_0_1
106086  h_to_c_2_2 = +2*alpha*h_to_c_1_1
106087  h_to_c_0_3 = -1*h_to_c_1_2
106088  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
106089  h_to_c_2_3 = +2*alpha*h_to_c_1_2
106090  h_to_c_3_3 = +2*alpha*h_to_c_2_2
106091  h_to_c_0_4 = -1*h_to_c_1_3
106092  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
106093  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
106094  h_to_c_3_4 = +2*alpha*h_to_c_2_3
106095  h_to_c_4_4 = +2*alpha*h_to_c_3_3
106096  h_to_c_0_5 = -1*h_to_c_1_4
106097  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
106098  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
106099  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
106100  h_to_c_4_5 = +2*alpha*h_to_c_3_4
106101  h_to_c_5_5 = +2*alpha*h_to_c_4_4
106102  h_to_c_0_6 = -1*h_to_c_1_5
106103  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
106104  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
106105  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
106106  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
106107  h_to_c_5_6 = +2*alpha*h_to_c_4_5
106108  h_to_c_6_6 = +2*alpha*h_to_c_5_5
106109  h_to_c_0_7 = -1*h_to_c_1_6
106110  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
106111  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
106112  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
106113  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
106114  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
106115  h_to_c_6_7 = +2*alpha*h_to_c_5_6
106116  h_to_c_7_7 = +2*alpha*h_to_c_6_6
106117  h_to_c_0_8 = -1*h_to_c_1_7
106118  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
106119  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
106120  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
106121  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
106122  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
106123  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
106124  h_to_c_7_8 = +2*alpha*h_to_c_6_7
106125  h_to_c_8_8 = +2*alpha*h_to_c_7_7
106126  h_to_c_0_9 = -1*h_to_c_1_8
106127  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
106128  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
106129  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
106130  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
106131  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
106132  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
106133  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
106134  h_to_c_8_9 = +2*alpha*h_to_c_7_8
106135  h_to_c_9_9 = +2*alpha*h_to_c_8_8
106136  h_to_c_0_10 = -1*h_to_c_1_9
106137  h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
106138  h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
106139  h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
106140  h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
106141  h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
106142  h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
106143  h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
106144  h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
106145  h_to_c_9_10 = +2*alpha*h_to_c_8_9
106146  h_to_c_10_10 = +2*alpha*h_to_c_9_9
106147 
106148  exp_drsq = exp(-alpha*dr*dr)
106149  exp_2drsq = exp_drsq*exp_drsq
106150 
106151  rr1_delta = (ra - rb)/dr
106152 
106153  rr1_l = ceiling(-r_c(1) + rr1_delta)
106154  rr1_r = floor(r_c(1) + rr1_delta)
106155 
106156  r1 = rr1_l*dr
106157 
106158  alpha_e = zeta*zetb/(zeta + zetb)
106159 
106160  DO rr1 = rr1_l, rr1_r
106161  s_r_t_0 = 0.0_dp
106162  s_r_t2_0 = 0.0_dp
106163  s_r_t_1 = 0.0_dp
106164  s_r_t2_1 = 0.0_dp
106165  s_r_t_2 = 0.0_dp
106166  s_r_t2_2 = 0.0_dp
106167  s_r_t_3 = 0.0_dp
106168  s_r_t2_3 = 0.0_dp
106169  s_r_t_4 = 0.0_dp
106170  s_r_t2_4 = 0.0_dp
106171  s_r_t_5 = 0.0_dp
106172  s_r_t2_5 = 0.0_dp
106173  s_r_t_6 = 0.0_dp
106174  s_r_t2_6 = 0.0_dp
106175  s_r_t_7 = 0.0_dp
106176  s_r_t2_7 = 0.0_dp
106177  s_r_t_8 = 0.0_dp
106178  s_r_t2_8 = 0.0_dp
106179  s_r_t_9 = 0.0_dp
106180  s_r_t2_9 = 0.0_dp
106181  s_r_t_10 = 0.0_dp
106182  s_r_t2_10 = 0.0_dp
106183  r_tmp = r_offset + r1*zeta/(zeta + zetb)
106184  rr2_delta = -r_tmp/dr
106185 
106186  rr2_l = ceiling(-r_c(2) + rr2_delta)
106187  rr2_r = floor(r_c(2) + rr2_delta)
106188 
106189  r = r_tmp + (rr2_l)*dr
106190 
106191  exp2_2rdr = exp(-2*alpha*r*dr)
106192  exp2_rsq = exp(-alpha*r*r)
106193 
106194  DO rr2 = rr2_l, rr2_r
106195  r_pow_t = 1.0_dp
106196  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
106197  r_pow_t = r_pow_t*r
106198  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
106199  r_pow_t = r_pow_t*r
106200  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
106201  r_pow_t = r_pow_t*r
106202  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
106203  r_pow_t = r_pow_t*r
106204  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
106205  r_pow_t = r_pow_t*r
106206  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
106207  r_pow_t = r_pow_t*r
106208  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
106209  r_pow_t = r_pow_t*r
106210  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
106211  r_pow_t = r_pow_t*r
106212  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
106213  r_pow_t = r_pow_t*r
106214  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
106215  r_pow_t = r_pow_t*r
106216  s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
106217 
106218  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
106219  exp2_2rdr = exp2_2rdr*exp_2drsq
106220  r = r + dr
106221  END DO
106222 
106223  ! C --> H
106224  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
106225  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
106226  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
106227  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
106228  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
106229  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
106230  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
106231  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
106232  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
106233  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
106234  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
106235  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
106236  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
106237  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
106238  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
106239  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
106240  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
106241  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
106242  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
106243  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
106244  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
106245  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
106246  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
106247  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
106248  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
106249  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
106250  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
106251  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
106252  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
106253  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
106254  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
106255  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
106256  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
106257  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
106258  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
106259  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
106260  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
106261  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
106262  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
106263  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
106264  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
106265  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
106266  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
106267  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
106268  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
106269  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
106270  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
106271  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
106272  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
106273  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
106274  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
106275  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
106276  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
106277  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
106278  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
106279  s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
106280  s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
106281  s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
106282  s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
106283  s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
106284  s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
106285  s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
106286  s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
106287  s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
106288  s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
106289  s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
106290 
106291  ! H --> HH
106292  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
106293 
106294  c1 = 1.0_dp/(zeta + zetb)
106295  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
106296  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
106297 
106298  e_0_1_0 = zeta*( &
106299  +c2*e_0_0_0&
106300 
106301  )
106302  e_0_0_1 = zetb*( &
106303  +c3*e_0_0_0&
106304 
106305  )
106306  e_1_1_0 = zeta*( c1*e_0_0_0 &
106307 
106308 
106309  )
106310  e_1_0_1 = zetb*( c1*e_0_0_0 &
106311 
106312 
106313  )
106314  e_0_2_0 = zeta*( &
106315  +c2*e_0_1_0&
106316  +2*e_1_1_0 &
106317  -2*e_0_0_0)
106318  e_0_1_1 = zetb*( &
106319  +c3*e_0_1_0&
106320  +2*e_1_1_0 &
106321  )
106322  e_1_2_0 = zeta*( c1*e_0_1_0 &
106323  +c2*e_1_1_0&
106324 
106325  )
106326  e_1_1_1 = zetb*( c1*e_0_1_0 &
106327  +c3*e_1_1_0&
106328 
106329  )
106330  e_2_2_0 = zeta*( c1*e_1_1_0 &
106331 
106332 
106333  )
106334  e_2_1_1 = zetb*( c1*e_1_1_0 &
106335 
106336 
106337  )
106338  e_0_3_0 = zeta*( &
106339  +c2*e_0_2_0&
106340  +2*e_1_2_0 &
106341  -4*e_0_1_0)
106342  e_0_2_1 = zetb*( &
106343  +c3*e_0_2_0&
106344  +2*e_1_2_0 &
106345  )
106346  e_1_3_0 = zeta*( c1*e_0_2_0 &
106347  +c2*e_1_2_0&
106348  +4*e_2_2_0 &
106349  -4*e_1_1_0)
106350  e_1_2_1 = zetb*( c1*e_0_2_0 &
106351  +c3*e_1_2_0&
106352  +4*e_2_2_0 &
106353  )
106354  e_2_3_0 = zeta*( c1*e_1_2_0 &
106355  +c2*e_2_2_0&
106356 
106357  )
106358  e_2_2_1 = zetb*( c1*e_1_2_0 &
106359  +c3*e_2_2_0&
106360 
106361  )
106362  e_3_3_0 = zeta*( c1*e_2_2_0 &
106363 
106364 
106365  )
106366  e_3_2_1 = zetb*( c1*e_2_2_0 &
106367 
106368 
106369  )
106370  e_0_4_0 = zeta*( &
106371  +c2*e_0_3_0&
106372  +2*e_1_3_0 &
106373  -6*e_0_2_0)
106374  e_0_3_1 = zetb*( &
106375  +c3*e_0_3_0&
106376  +2*e_1_3_0 &
106377  )
106378  e_1_4_0 = zeta*( c1*e_0_3_0 &
106379  +c2*e_1_3_0&
106380  +4*e_2_3_0 &
106381  -6*e_1_2_0)
106382  e_1_3_1 = zetb*( c1*e_0_3_0 &
106383  +c3*e_1_3_0&
106384  +4*e_2_3_0 &
106385  )
106386  e_2_4_0 = zeta*( c1*e_1_3_0 &
106387  +c2*e_2_3_0&
106388  +6*e_3_3_0 &
106389  -6*e_2_2_0)
106390  e_2_3_1 = zetb*( c1*e_1_3_0 &
106391  +c3*e_2_3_0&
106392  +6*e_3_3_0 &
106393  )
106394  e_3_4_0 = zeta*( c1*e_2_3_0 &
106395  +c2*e_3_3_0&
106396 
106397  )
106398  e_3_3_1 = zetb*( c1*e_2_3_0 &
106399  +c3*e_3_3_0&
106400 
106401  )
106402  e_4_4_0 = zeta*( c1*e_3_3_0 &
106403 
106404 
106405  )
106406  e_4_3_1 = zetb*( c1*e_3_3_0 &
106407 
106408 
106409  )
106410  e_0_4_1 = zetb*( &
106411  +c3*e_0_4_0&
106412  +2*e_1_4_0 &
106413  )
106414  e_1_4_1 = zetb*( c1*e_0_4_0 &
106415  +c3*e_1_4_0&
106416  +4*e_2_4_0 &
106417  )
106418  e_2_4_1 = zetb*( c1*e_1_4_0 &
106419  +c3*e_2_4_0&
106420  +6*e_3_4_0 &
106421  )
106422  e_3_4_1 = zetb*( c1*e_2_4_0 &
106423  +c3*e_3_4_0&
106424  +8*e_4_4_0 &
106425  )
106426  e_4_4_1 = zetb*( c1*e_3_4_0 &
106427  +c3*e_4_4_0&
106428 
106429  )
106430  e_5_4_1 = zetb*( c1*e_4_4_0 &
106431 
106432 
106433  )
106434  e_0_1_1 = zeta*( &
106435  +c2*e_0_0_1&
106436  +2*e_1_0_1 &
106437  )
106438  e_0_0_2 = zetb*( &
106439  +c3*e_0_0_1&
106440  +2*e_1_0_1 &
106441  -2*e_0_0_0)
106442  e_1_1_1 = zeta*( c1*e_0_0_1 &
106443  +c2*e_1_0_1&
106444 
106445  )
106446  e_1_0_2 = zetb*( c1*e_0_0_1 &
106447  +c3*e_1_0_1&
106448 
106449  )
106450  e_2_1_1 = zeta*( c1*e_1_0_1 &
106451 
106452 
106453  )
106454  e_2_0_2 = zetb*( c1*e_1_0_1 &
106455 
106456 
106457  )
106458  e_0_2_1 = zeta*( &
106459  +c2*e_0_1_1&
106460  +2*e_1_1_1 &
106461  -2*e_0_0_1)
106462  e_0_1_2 = zetb*( &
106463  +c3*e_0_1_1&
106464  +2*e_1_1_1 &
106465  -2*e_0_1_0)
106466  e_1_2_1 = zeta*( c1*e_0_1_1 &
106467  +c2*e_1_1_1&
106468  +4*e_2_1_1 &
106469  -2*e_1_0_1)
106470  e_1_1_2 = zetb*( c1*e_0_1_1 &
106471  +c3*e_1_1_1&
106472  +4*e_2_1_1 &
106473  -2*e_1_1_0)
106474  e_2_2_1 = zeta*( c1*e_1_1_1 &
106475  +c2*e_2_1_1&
106476 
106477  )
106478  e_2_1_2 = zetb*( c1*e_1_1_1 &
106479  +c3*e_2_1_1&
106480 
106481  )
106482  e_3_2_1 = zeta*( c1*e_2_1_1 &
106483 
106484 
106485  )
106486  e_3_1_2 = zetb*( c1*e_2_1_1 &
106487 
106488 
106489  )
106490  e_0_3_1 = zeta*( &
106491  +c2*e_0_2_1&
106492  +2*e_1_2_1 &
106493  -4*e_0_1_1)
106494  e_0_2_2 = zetb*( &
106495  +c3*e_0_2_1&
106496  +2*e_1_2_1 &
106497  -2*e_0_2_0)
106498  e_1_3_1 = zeta*( c1*e_0_2_1 &
106499  +c2*e_1_2_1&
106500  +4*e_2_2_1 &
106501  -4*e_1_1_1)
106502  e_1_2_2 = zetb*( c1*e_0_2_1 &
106503  +c3*e_1_2_1&
106504  +4*e_2_2_1 &
106505  -2*e_1_2_0)
106506  e_2_3_1 = zeta*( c1*e_1_2_1 &
106507  +c2*e_2_2_1&
106508  +6*e_3_2_1 &
106509  -4*e_2_1_1)
106510  e_2_2_2 = zetb*( c1*e_1_2_1 &
106511  +c3*e_2_2_1&
106512  +6*e_3_2_1 &
106513  -2*e_2_2_0)
106514  e_3_3_1 = zeta*( c1*e_2_2_1 &
106515  +c2*e_3_2_1&
106516 
106517  )
106518  e_3_2_2 = zetb*( c1*e_2_2_1 &
106519  +c3*e_3_2_1&
106520 
106521  )
106522  e_4_3_1 = zeta*( c1*e_3_2_1 &
106523 
106524 
106525  )
106526  e_4_2_2 = zetb*( c1*e_3_2_1 &
106527 
106528 
106529  )
106530  e_0_4_1 = zeta*( &
106531  +c2*e_0_3_1&
106532  +2*e_1_3_1 &
106533  -6*e_0_2_1)
106534  e_0_3_2 = zetb*( &
106535  +c3*e_0_3_1&
106536  +2*e_1_3_1 &
106537  -2*e_0_3_0)
106538  e_1_4_1 = zeta*( c1*e_0_3_1 &
106539  +c2*e_1_3_1&
106540  +4*e_2_3_1 &
106541  -6*e_1_2_1)
106542  e_1_3_2 = zetb*( c1*e_0_3_1 &
106543  +c3*e_1_3_1&
106544  +4*e_2_3_1 &
106545  -2*e_1_3_0)
106546  e_2_4_1 = zeta*( c1*e_1_3_1 &
106547  +c2*e_2_3_1&
106548  +6*e_3_3_1 &
106549  -6*e_2_2_1)
106550  e_2_3_2 = zetb*( c1*e_1_3_1 &
106551  +c3*e_2_3_1&
106552  +6*e_3_3_1 &
106553  -2*e_2_3_0)
106554  e_3_4_1 = zeta*( c1*e_2_3_1 &
106555  +c2*e_3_3_1&
106556  +8*e_4_3_1 &
106557  -6*e_3_2_1)
106558  e_3_3_2 = zetb*( c1*e_2_3_1 &
106559  +c3*e_3_3_1&
106560  +8*e_4_3_1 &
106561  -2*e_3_3_0)
106562  e_4_4_1 = zeta*( c1*e_3_3_1 &
106563  +c2*e_4_3_1&
106564 
106565  )
106566  e_4_3_2 = zetb*( c1*e_3_3_1 &
106567  +c3*e_4_3_1&
106568 
106569  )
106570  e_5_4_1 = zeta*( c1*e_4_3_1 &
106571 
106572 
106573  )
106574  e_5_3_2 = zetb*( c1*e_4_3_1 &
106575 
106576 
106577  )
106578  e_0_4_2 = zetb*( &
106579  +c3*e_0_4_1&
106580  +2*e_1_4_1 &
106581  -2*e_0_4_0)
106582  e_1_4_2 = zetb*( c1*e_0_4_1 &
106583  +c3*e_1_4_1&
106584  +4*e_2_4_1 &
106585  -2*e_1_4_0)
106586  e_2_4_2 = zetb*( c1*e_1_4_1 &
106587  +c3*e_2_4_1&
106588  +6*e_3_4_1 &
106589  -2*e_2_4_0)
106590  e_3_4_2 = zetb*( c1*e_2_4_1 &
106591  +c3*e_3_4_1&
106592  +8*e_4_4_1 &
106593  -2*e_3_4_0)
106594  e_4_4_2 = zetb*( c1*e_3_4_1 &
106595  +c3*e_4_4_1&
106596  +10*e_5_4_1 &
106597  -2*e_4_4_0)
106598  e_5_4_2 = zetb*( c1*e_4_4_1 &
106599  +c3*e_5_4_1&
106600 
106601  )
106602  e_6_4_2 = zetb*( c1*e_5_4_1 &
106603 
106604 
106605  )
106606  e_0_1_2 = zeta*( &
106607  +c2*e_0_0_2&
106608  +2*e_1_0_2 &
106609  )
106610  e_1_1_2 = zeta*( c1*e_0_0_2 &
106611  +c2*e_1_0_2&
106612  +4*e_2_0_2 &
106613  )
106614  e_2_1_2 = zeta*( c1*e_1_0_2 &
106615  +c2*e_2_0_2&
106616 
106617  )
106618  e_3_1_2 = zeta*( c1*e_2_0_2 &
106619 
106620 
106621  )
106622  e_0_2_2 = zeta*( &
106623  +c2*e_0_1_2&
106624  +2*e_1_1_2 &
106625  -2*e_0_0_2)
106626  e_1_2_2 = zeta*( c1*e_0_1_2 &
106627  +c2*e_1_1_2&
106628  +4*e_2_1_2 &
106629  -2*e_1_0_2)
106630  e_2_2_2 = zeta*( c1*e_1_1_2 &
106631  +c2*e_2_1_2&
106632  +6*e_3_1_2 &
106633  -2*e_2_0_2)
106634  e_3_2_2 = zeta*( c1*e_2_1_2 &
106635  +c2*e_3_1_2&
106636 
106637  )
106638  e_4_2_2 = zeta*( c1*e_3_1_2 &
106639 
106640 
106641  )
106642  e_0_3_2 = zeta*( &
106643  +c2*e_0_2_2&
106644  +2*e_1_2_2 &
106645  -4*e_0_1_2)
106646  e_1_3_2 = zeta*( c1*e_0_2_2 &
106647  +c2*e_1_2_2&
106648  +4*e_2_2_2 &
106649  -4*e_1_1_2)
106650  e_2_3_2 = zeta*( c1*e_1_2_2 &
106651  +c2*e_2_2_2&
106652  +6*e_3_2_2 &
106653  -4*e_2_1_2)
106654  e_3_3_2 = zeta*( c1*e_2_2_2 &
106655  +c2*e_3_2_2&
106656  +8*e_4_2_2 &
106657  -4*e_3_1_2)
106658  e_4_3_2 = zeta*( c1*e_3_2_2 &
106659  +c2*e_4_2_2&
106660 
106661  )
106662  e_5_3_2 = zeta*( c1*e_4_2_2 &
106663 
106664 
106665  )
106666  e_0_4_2 = zeta*( &
106667  +c2*e_0_3_2&
106668  +2*e_1_3_2 &
106669  -6*e_0_2_2)
106670  e_1_4_2 = zeta*( c1*e_0_3_2 &
106671  +c2*e_1_3_2&
106672  +4*e_2_3_2 &
106673  -6*e_1_2_2)
106674  e_2_4_2 = zeta*( c1*e_1_3_2 &
106675  +c2*e_2_3_2&
106676  +6*e_3_3_2 &
106677  -6*e_2_2_2)
106678  e_3_4_2 = zeta*( c1*e_2_3_2 &
106679  +c2*e_3_3_2&
106680  +8*e_4_3_2 &
106681  -6*e_3_2_2)
106682  e_4_4_2 = zeta*( c1*e_3_3_2 &
106683  +c2*e_4_3_2&
106684  +10*e_5_3_2 &
106685  -6*e_4_2_2)
106686  e_5_4_2 = zeta*( c1*e_4_3_2 &
106687  +c2*e_5_3_2&
106688 
106689  )
106690  e_6_4_2 = zeta*( c1*e_5_3_2 &
106691 
106692 
106693  )
106694 
106695  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
106696  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
106697  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
106698  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
106699  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
106700  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
106701  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
106702  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
106703  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
106704  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
106705  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
106706  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
106707  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
106708  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
106709  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
106710  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
106711  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
106712  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
106713  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
106714  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
106715  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
106716  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
106717  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
106718  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
106719  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
106720  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
106721  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
106722  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
106723  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
106724  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
106725  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
106726  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
106727  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
106728  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
106729  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
106730  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
106731  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
106732  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
106733  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
106734  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
106735  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
106736  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
106737  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
106738  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
106739  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
106740  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
106741  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
106742  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
106743  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
106744  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
106745  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
106746  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
106747  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
106748  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
106749  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
106750  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
106751  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
106752  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
106753  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
106754  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
106755  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
106756  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
106757  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
106758  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
106759  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
106760  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
106761  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
106762  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
106763  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
106764  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
106765  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
106766  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
106767  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
106768  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
106769  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
106770  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
106771  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
106772  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
106773  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
106774  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
106775  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
106776  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
106777  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
106778  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
106779  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
106780  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
106781  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
106782  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
106783  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
106784  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
106785  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
106786  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
106787  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
106788  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
106789  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
106790  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
106791  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
106792  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
106793  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
106794  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
106795  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
106796  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
106797  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
106798  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
106799  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
106800  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
106801  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
106802  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
106803  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
106804  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
106805  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
106806  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
106807  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
106808  s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
106809  s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
106810  s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
106811  s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
106812  s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
106813  s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
106814  s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
106815  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
106816  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
106817  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
106818  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
106819  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
106820  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
106821  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
106822  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
106823  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
106824  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
106825  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
106826  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
106827  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
106828  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
106829  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
106830  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
106831  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
106832  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
106833  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
106834  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
106835  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
106836  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
106837  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
106838  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
106839  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
106840  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
106841  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
106842  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
106843  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
106844  s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
106845  s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
106846  s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
106847  s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
106848  s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
106849  s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
106850  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
106851  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
106852  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
106853  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
106854  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
106855  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
106856  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
106857  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
106858  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
106859  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
106860  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
106861  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
106862  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
106863  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
106864  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
106865  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
106866  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
106867  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
106868  s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
106869  s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
106870  s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
106871  s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
106872  s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
106873  s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
106874  s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
106875  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
106876  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
106877  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
106878  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
106879  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
106880  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
106881  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
106882  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
106883  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
106884  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
106885  s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
106886  s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
106887  s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
106888  s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
106889  s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
106890  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
106891  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
106892  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
106893  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
106894  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
106895  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
106896  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
106897  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
106898  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
106899  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
106900  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
106901  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
106902  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
106903  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
106904  s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
106905  s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
106906  s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
106907  s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
106908  s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
106909  s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
106910  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
106911  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
106912  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
106913  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
106914  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
106915  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
106916  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
106917  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
106918  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
106919  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
106920  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
106921  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
106922  s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
106923  s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
106924  s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
106925  s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
106926  s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
106927  s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
106928  s_r(4, 2, 3) = s_r(4, 2, 3) + e_0_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
106929  s_r(4, 2, 3) = s_r(4, 2, 3) + e_1_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
106930  s_r(4, 2, 3) = s_r(4, 2, 3) + e_2_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
106931  s_r(4, 2, 3) = s_r(4, 2, 3) + e_3_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
106932  s_r(4, 2, 3) = s_r(4, 2, 3) + e_4_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
106933  s_r(4, 2, 3) = s_r(4, 2, 3) + e_5_4_2*(-1)*s_r_t2_8 ! cost: 5 flops
106934  s_r(4, 2, 3) = s_r(4, 2, 3) + e_6_4_2*(-1)*s_r_t2_9 ! cost: 5 flops
106935  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
106936  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
106937  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
106938  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
106939  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
106940  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
106941  s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
106942  s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
106943  s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
106944  s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
106945  s_r(4, 0, 4) = s_r(4, 0, 4) + e_0_4_0*(1)*s_r_t2_4 ! cost: 5 flops
106946  s_r(4, 0, 4) = s_r(4, 0, 4) + e_1_4_0*(1)*s_r_t2_5 ! cost: 5 flops
106947  s_r(4, 0, 4) = s_r(4, 0, 4) + e_2_4_0*(1)*s_r_t2_6 ! cost: 5 flops
106948  s_r(4, 0, 4) = s_r(4, 0, 4) + e_3_4_0*(1)*s_r_t2_7 ! cost: 5 flops
106949  s_r(4, 0, 4) = s_r(4, 0, 4) + e_4_4_0*(1)*s_r_t2_8 ! cost: 5 flops
106950  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
106951  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
106952  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
106953  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
106954  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
106955  s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
106956  s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
106957  s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
106958  s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
106959  s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
106960  s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
106961  s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
106962  s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
106963  s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
106964  s_r(4, 1, 4) = s_r(4, 1, 4) + e_0_4_1*(1)*s_r_t2_4 ! cost: 5 flops
106965  s_r(4, 1, 4) = s_r(4, 1, 4) + e_1_4_1*(1)*s_r_t2_5 ! cost: 5 flops
106966  s_r(4, 1, 4) = s_r(4, 1, 4) + e_2_4_1*(1)*s_r_t2_6 ! cost: 5 flops
106967  s_r(4, 1, 4) = s_r(4, 1, 4) + e_3_4_1*(1)*s_r_t2_7 ! cost: 5 flops
106968  s_r(4, 1, 4) = s_r(4, 1, 4) + e_4_4_1*(1)*s_r_t2_8 ! cost: 5 flops
106969  s_r(4, 1, 4) = s_r(4, 1, 4) + e_5_4_1*(1)*s_r_t2_9 ! cost: 5 flops
106970  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
106971  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
106972  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
106973  s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
106974  s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
106975  s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
106976  s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
106977  s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
106978  s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
106979  s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
106980  s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
106981  s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
106982  s_r(3, 2, 4) = s_r(3, 2, 4) + e_0_3_2*(1)*s_r_t2_4 ! cost: 5 flops
106983  s_r(3, 2, 4) = s_r(3, 2, 4) + e_1_3_2*(1)*s_r_t2_5 ! cost: 5 flops
106984  s_r(3, 2, 4) = s_r(3, 2, 4) + e_2_3_2*(1)*s_r_t2_6 ! cost: 5 flops
106985  s_r(3, 2, 4) = s_r(3, 2, 4) + e_3_3_2*(1)*s_r_t2_7 ! cost: 5 flops
106986  s_r(3, 2, 4) = s_r(3, 2, 4) + e_4_3_2*(1)*s_r_t2_8 ! cost: 5 flops
106987  s_r(3, 2, 4) = s_r(3, 2, 4) + e_5_3_2*(1)*s_r_t2_9 ! cost: 5 flops
106988  s_r(4, 2, 4) = s_r(4, 2, 4) + e_0_4_2*(1)*s_r_t2_4 ! cost: 5 flops
106989  s_r(4, 2, 4) = s_r(4, 2, 4) + e_1_4_2*(1)*s_r_t2_5 ! cost: 5 flops
106990  s_r(4, 2, 4) = s_r(4, 2, 4) + e_2_4_2*(1)*s_r_t2_6 ! cost: 5 flops
106991  s_r(4, 2, 4) = s_r(4, 2, 4) + e_3_4_2*(1)*s_r_t2_7 ! cost: 5 flops
106992  s_r(4, 2, 4) = s_r(4, 2, 4) + e_4_4_2*(1)*s_r_t2_8 ! cost: 5 flops
106993  s_r(4, 2, 4) = s_r(4, 2, 4) + e_5_4_2*(1)*s_r_t2_9 ! cost: 5 flops
106994  s_r(4, 2, 4) = s_r(4, 2, 4) + e_6_4_2*(1)*s_r_t2_10 ! cost: 5 flops
106995  r1 = r1 + dr
106996  END DO
106997 
106998  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
106999  END SUBROUTINE
107000  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_3_0_exp_1 ( &
107001  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
107002  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
107003  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
107004  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
107005  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
107006  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
107007  r_pow_t, r_tmp, rr1_delta, rr2_delta
107008 
107009  REAL(kind=dp) :: c1, c2, c3
107010  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7
107011  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7
107012  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
107013  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
107014  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
107015  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7
107016  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
107017  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
107018  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
107019  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
107020  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
107021  & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
107022  & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3
107023 
107024  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
107025 
107026  dr = lgth
107027  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
107028 
107029  s_r(:, :, :) = 0.0_dp
107030 
107031  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
107032 
107033  h_to_c_0_0 = sqrt(alpha/pi)
107034 
107035  h_to_c_0_1 = 0.0_dp
107036  h_to_c_1_1 = +2*alpha*h_to_c_0_0
107037  h_to_c_0_2 = -1*h_to_c_1_1
107038  h_to_c_1_2 = +2*alpha*h_to_c_0_1
107039  h_to_c_2_2 = +2*alpha*h_to_c_1_1
107040  h_to_c_0_3 = -1*h_to_c_1_2
107041  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
107042  h_to_c_2_3 = +2*alpha*h_to_c_1_2
107043  h_to_c_3_3 = +2*alpha*h_to_c_2_2
107044  h_to_c_0_4 = -1*h_to_c_1_3
107045  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
107046  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
107047  h_to_c_3_4 = +2*alpha*h_to_c_2_3
107048  h_to_c_4_4 = +2*alpha*h_to_c_3_3
107049  h_to_c_0_5 = -1*h_to_c_1_4
107050  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
107051  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
107052  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
107053  h_to_c_4_5 = +2*alpha*h_to_c_3_4
107054  h_to_c_5_5 = +2*alpha*h_to_c_4_4
107055  h_to_c_0_6 = -1*h_to_c_1_5
107056  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
107057  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
107058  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
107059  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
107060  h_to_c_5_6 = +2*alpha*h_to_c_4_5
107061  h_to_c_6_6 = +2*alpha*h_to_c_5_5
107062  h_to_c_0_7 = -1*h_to_c_1_6
107063  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
107064  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
107065  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
107066  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
107067  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
107068  h_to_c_6_7 = +2*alpha*h_to_c_5_6
107069  h_to_c_7_7 = +2*alpha*h_to_c_6_6
107070 
107071  exp_drsq = exp(-alpha*dr*dr)
107072  exp_2drsq = exp_drsq*exp_drsq
107073 
107074  rr1_delta = (ra - rb)/dr
107075 
107076  rr1_l = ceiling(-r_c(1) + rr1_delta)
107077  rr1_r = floor(r_c(1) + rr1_delta)
107078 
107079  r1 = rr1_l*dr
107080 
107081  alpha_e = zeta*zetb/(zeta + zetb)
107082 
107083  DO rr1 = rr1_l, rr1_r
107084  s_r_t_0 = 0.0_dp
107085  s_r_t2_0 = 0.0_dp
107086  s_r_t_1 = 0.0_dp
107087  s_r_t2_1 = 0.0_dp
107088  s_r_t_2 = 0.0_dp
107089  s_r_t2_2 = 0.0_dp
107090  s_r_t_3 = 0.0_dp
107091  s_r_t2_3 = 0.0_dp
107092  s_r_t_4 = 0.0_dp
107093  s_r_t2_4 = 0.0_dp
107094  s_r_t_5 = 0.0_dp
107095  s_r_t2_5 = 0.0_dp
107096  s_r_t_6 = 0.0_dp
107097  s_r_t2_6 = 0.0_dp
107098  s_r_t_7 = 0.0_dp
107099  s_r_t2_7 = 0.0_dp
107100  r_tmp = r_offset + r1*zeta/(zeta + zetb)
107101  rr2_delta = -r_tmp/dr
107102 
107103  rr2_l = ceiling(-r_c(2) + rr2_delta)
107104  rr2_r = floor(r_c(2) + rr2_delta)
107105 
107106  r = r_tmp + (rr2_l)*dr
107107 
107108  exp2_2rdr = exp(-2*alpha*r*dr)
107109  exp2_rsq = exp(-alpha*r*r)
107110 
107111  DO rr2 = rr2_l, rr2_r
107112  r_pow_t = 1.0_dp
107113  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
107114  r_pow_t = r_pow_t*r
107115  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
107116  r_pow_t = r_pow_t*r
107117  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
107118  r_pow_t = r_pow_t*r
107119  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
107120  r_pow_t = r_pow_t*r
107121  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
107122  r_pow_t = r_pow_t*r
107123  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
107124  r_pow_t = r_pow_t*r
107125  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
107126  r_pow_t = r_pow_t*r
107127  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
107128 
107129  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
107130  exp2_2rdr = exp2_2rdr*exp_2drsq
107131  r = r + dr
107132  END DO
107133 
107134  ! C --> H
107135  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
107136  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
107137  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
107138  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
107139  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
107140  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
107141  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
107142  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
107143  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
107144  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
107145  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
107146  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
107147  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
107148  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
107149  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
107150  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
107151  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
107152  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
107153  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
107154  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
107155  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
107156  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
107157  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
107158  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
107159  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
107160  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
107161  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
107162  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
107163  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
107164  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
107165  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
107166  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
107167  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
107168  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
107169  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
107170  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
107171 
107172  ! H --> HH
107173  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
107174 
107175  c1 = 1.0_dp/(zeta + zetb)
107176  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
107177  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
107178 
107179  e_0_1_0 = zeta*( &
107180  +c2*e_0_0_0&
107181 
107182  )
107183  e_0_0_1 = zetb*( &
107184  +c3*e_0_0_0&
107185 
107186  )
107187  e_1_1_0 = zeta*( c1*e_0_0_0 &
107188 
107189 
107190  )
107191  e_1_0_1 = zetb*( c1*e_0_0_0 &
107192 
107193 
107194  )
107195  e_0_2_0 = zeta*( &
107196  +c2*e_0_1_0&
107197  +2*e_1_1_0 &
107198  -2*e_0_0_0)
107199  e_0_1_1 = zetb*( &
107200  +c3*e_0_1_0&
107201  +2*e_1_1_0 &
107202  )
107203  e_1_2_0 = zeta*( c1*e_0_1_0 &
107204  +c2*e_1_1_0&
107205 
107206  )
107207  e_1_1_1 = zetb*( c1*e_0_1_0 &
107208  +c3*e_1_1_0&
107209 
107210  )
107211  e_2_2_0 = zeta*( c1*e_1_1_0 &
107212 
107213 
107214  )
107215  e_2_1_1 = zetb*( c1*e_1_1_0 &
107216 
107217 
107218  )
107219  e_0_3_0 = zeta*( &
107220  +c2*e_0_2_0&
107221  +2*e_1_2_0 &
107222  -4*e_0_1_0)
107223  e_0_2_1 = zetb*( &
107224  +c3*e_0_2_0&
107225  +2*e_1_2_0 &
107226  )
107227  e_1_3_0 = zeta*( c1*e_0_2_0 &
107228  +c2*e_1_2_0&
107229  +4*e_2_2_0 &
107230  -4*e_1_1_0)
107231  e_1_2_1 = zetb*( c1*e_0_2_0 &
107232  +c3*e_1_2_0&
107233  +4*e_2_2_0 &
107234  )
107235  e_2_3_0 = zeta*( c1*e_1_2_0 &
107236  +c2*e_2_2_0&
107237 
107238  )
107239  e_2_2_1 = zetb*( c1*e_1_2_0 &
107240  +c3*e_2_2_0&
107241 
107242  )
107243  e_3_3_0 = zeta*( c1*e_2_2_0 &
107244 
107245 
107246  )
107247  e_3_2_1 = zetb*( c1*e_2_2_0 &
107248 
107249 
107250  )
107251  e_0_4_0 = zeta*( &
107252  +c2*e_0_3_0&
107253  +2*e_1_3_0 &
107254  -6*e_0_2_0)
107255  e_0_3_1 = zetb*( &
107256  +c3*e_0_3_0&
107257  +2*e_1_3_0 &
107258  )
107259  e_1_4_0 = zeta*( c1*e_0_3_0 &
107260  +c2*e_1_3_0&
107261  +4*e_2_3_0 &
107262  -6*e_1_2_0)
107263  e_1_3_1 = zetb*( c1*e_0_3_0 &
107264  +c3*e_1_3_0&
107265  +4*e_2_3_0 &
107266  )
107267  e_2_4_0 = zeta*( c1*e_1_3_0 &
107268  +c2*e_2_3_0&
107269  +6*e_3_3_0 &
107270  -6*e_2_2_0)
107271  e_2_3_1 = zetb*( c1*e_1_3_0 &
107272  +c3*e_2_3_0&
107273  +6*e_3_3_0 &
107274  )
107275  e_3_4_0 = zeta*( c1*e_2_3_0 &
107276  +c2*e_3_3_0&
107277 
107278  )
107279  e_3_3_1 = zetb*( c1*e_2_3_0 &
107280  +c3*e_3_3_0&
107281 
107282  )
107283  e_4_4_0 = zeta*( c1*e_3_3_0 &
107284 
107285 
107286  )
107287  e_4_3_1 = zetb*( c1*e_3_3_0 &
107288 
107289 
107290  )
107291  e_0_4_1 = zetb*( &
107292  +c3*e_0_4_0&
107293  +2*e_1_4_0 &
107294  )
107295  e_1_4_1 = zetb*( c1*e_0_4_0 &
107296  +c3*e_1_4_0&
107297  +4*e_2_4_0 &
107298  )
107299  e_2_4_1 = zetb*( c1*e_1_4_0 &
107300  +c3*e_2_4_0&
107301  +6*e_3_4_0 &
107302  )
107303  e_3_4_1 = zetb*( c1*e_2_4_0 &
107304  +c3*e_3_4_0&
107305  +8*e_4_4_0 &
107306  )
107307  e_4_4_1 = zetb*( c1*e_3_4_0 &
107308  +c3*e_4_4_0&
107309 
107310  )
107311  e_5_4_1 = zetb*( c1*e_4_4_0 &
107312 
107313 
107314  )
107315  e_0_1_1 = zeta*( &
107316  +c2*e_0_0_1&
107317  +2*e_1_0_1 &
107318  )
107319  e_0_0_2 = zetb*( &
107320  +c3*e_0_0_1&
107321  +2*e_1_0_1 &
107322  -2*e_0_0_0)
107323  e_1_1_1 = zeta*( c1*e_0_0_1 &
107324  +c2*e_1_0_1&
107325 
107326  )
107327  e_1_0_2 = zetb*( c1*e_0_0_1 &
107328  +c3*e_1_0_1&
107329 
107330  )
107331  e_2_1_1 = zeta*( c1*e_1_0_1 &
107332 
107333 
107334  )
107335  e_2_0_2 = zetb*( c1*e_1_0_1 &
107336 
107337 
107338  )
107339  e_0_2_1 = zeta*( &
107340  +c2*e_0_1_1&
107341  +2*e_1_1_1 &
107342  -2*e_0_0_1)
107343  e_0_1_2 = zetb*( &
107344  +c3*e_0_1_1&
107345  +2*e_1_1_1 &
107346  -2*e_0_1_0)
107347  e_1_2_1 = zeta*( c1*e_0_1_1 &
107348  +c2*e_1_1_1&
107349  +4*e_2_1_1 &
107350  -2*e_1_0_1)
107351  e_1_1_2 = zetb*( c1*e_0_1_1 &
107352  +c3*e_1_1_1&
107353  +4*e_2_1_1 &
107354  -2*e_1_1_0)
107355  e_2_2_1 = zeta*( c1*e_1_1_1 &
107356  +c2*e_2_1_1&
107357 
107358  )
107359  e_2_1_2 = zetb*( c1*e_1_1_1 &
107360  +c3*e_2_1_1&
107361 
107362  )
107363  e_3_2_1 = zeta*( c1*e_2_1_1 &
107364 
107365 
107366  )
107367  e_3_1_2 = zetb*( c1*e_2_1_1 &
107368 
107369 
107370  )
107371  e_0_3_1 = zeta*( &
107372  +c2*e_0_2_1&
107373  +2*e_1_2_1 &
107374  -4*e_0_1_1)
107375  e_0_2_2 = zetb*( &
107376  +c3*e_0_2_1&
107377  +2*e_1_2_1 &
107378  -2*e_0_2_0)
107379  e_1_3_1 = zeta*( c1*e_0_2_1 &
107380  +c2*e_1_2_1&
107381  +4*e_2_2_1 &
107382  -4*e_1_1_1)
107383  e_1_2_2 = zetb*( c1*e_0_2_1 &
107384  +c3*e_1_2_1&
107385  +4*e_2_2_1 &
107386  -2*e_1_2_0)
107387  e_2_3_1 = zeta*( c1*e_1_2_1 &
107388  +c2*e_2_2_1&
107389  +6*e_3_2_1 &
107390  -4*e_2_1_1)
107391  e_2_2_2 = zetb*( c1*e_1_2_1 &
107392  +c3*e_2_2_1&
107393  +6*e_3_2_1 &
107394  -2*e_2_2_0)
107395  e_3_3_1 = zeta*( c1*e_2_2_1 &
107396  +c2*e_3_2_1&
107397 
107398  )
107399  e_3_2_2 = zetb*( c1*e_2_2_1 &
107400  +c3*e_3_2_1&
107401 
107402  )
107403  e_4_3_1 = zeta*( c1*e_3_2_1 &
107404 
107405 
107406  )
107407  e_4_2_2 = zetb*( c1*e_3_2_1 &
107408 
107409 
107410  )
107411  e_0_4_1 = zeta*( &
107412  +c2*e_0_3_1&
107413  +2*e_1_3_1 &
107414  -6*e_0_2_1)
107415  e_0_3_2 = zetb*( &
107416  +c3*e_0_3_1&
107417  +2*e_1_3_1 &
107418  -2*e_0_3_0)
107419  e_1_4_1 = zeta*( c1*e_0_3_1 &
107420  +c2*e_1_3_1&
107421  +4*e_2_3_1 &
107422  -6*e_1_2_1)
107423  e_1_3_2 = zetb*( c1*e_0_3_1 &
107424  +c3*e_1_3_1&
107425  +4*e_2_3_1 &
107426  -2*e_1_3_0)
107427  e_2_4_1 = zeta*( c1*e_1_3_1 &
107428  +c2*e_2_3_1&
107429  +6*e_3_3_1 &
107430  -6*e_2_2_1)
107431  e_2_3_2 = zetb*( c1*e_1_3_1 &
107432  +c3*e_2_3_1&
107433  +6*e_3_3_1 &
107434  -2*e_2_3_0)
107435  e_3_4_1 = zeta*( c1*e_2_3_1 &
107436  +c2*e_3_3_1&
107437  +8*e_4_3_1 &
107438  -6*e_3_2_1)
107439  e_3_3_2 = zetb*( c1*e_2_3_1 &
107440  +c3*e_3_3_1&
107441  +8*e_4_3_1 &
107442  -2*e_3_3_0)
107443  e_4_4_1 = zeta*( c1*e_3_3_1 &
107444  +c2*e_4_3_1&
107445 
107446  )
107447  e_4_3_2 = zetb*( c1*e_3_3_1 &
107448  +c3*e_4_3_1&
107449 
107450  )
107451  e_5_4_1 = zeta*( c1*e_4_3_1 &
107452 
107453 
107454  )
107455  e_5_3_2 = zetb*( c1*e_4_3_1 &
107456 
107457 
107458  )
107459  e_0_4_2 = zetb*( &
107460  +c3*e_0_4_1&
107461  +2*e_1_4_1 &
107462  -2*e_0_4_0)
107463  e_1_4_2 = zetb*( c1*e_0_4_1 &
107464  +c3*e_1_4_1&
107465  +4*e_2_4_1 &
107466  -2*e_1_4_0)
107467  e_2_4_2 = zetb*( c1*e_1_4_1 &
107468  +c3*e_2_4_1&
107469  +6*e_3_4_1 &
107470  -2*e_2_4_0)
107471  e_3_4_2 = zetb*( c1*e_2_4_1 &
107472  +c3*e_3_4_1&
107473  +8*e_4_4_1 &
107474  -2*e_3_4_0)
107475  e_4_4_2 = zetb*( c1*e_3_4_1 &
107476  +c3*e_4_4_1&
107477  +10*e_5_4_1 &
107478  -2*e_4_4_0)
107479  e_5_4_2 = zetb*( c1*e_4_4_1 &
107480  +c3*e_5_4_1&
107481 
107482  )
107483  e_6_4_2 = zetb*( c1*e_5_4_1 &
107484 
107485 
107486  )
107487  e_0_1_2 = zeta*( &
107488  +c2*e_0_0_2&
107489  +2*e_1_0_2 &
107490  )
107491  e_0_0_3 = zetb*( &
107492  +c3*e_0_0_2&
107493  +2*e_1_0_2 &
107494  -4*e_0_0_1)
107495  e_1_1_2 = zeta*( c1*e_0_0_2 &
107496  +c2*e_1_0_2&
107497  +4*e_2_0_2 &
107498  )
107499  e_1_0_3 = zetb*( c1*e_0_0_2 &
107500  +c3*e_1_0_2&
107501  +4*e_2_0_2 &
107502  -4*e_1_0_1)
107503  e_2_1_2 = zeta*( c1*e_1_0_2 &
107504  +c2*e_2_0_2&
107505 
107506  )
107507  e_2_0_3 = zetb*( c1*e_1_0_2 &
107508  +c3*e_2_0_2&
107509 
107510  )
107511  e_3_1_2 = zeta*( c1*e_2_0_2 &
107512 
107513 
107514  )
107515  e_3_0_3 = zetb*( c1*e_2_0_2 &
107516 
107517 
107518  )
107519  e_0_2_2 = zeta*( &
107520  +c2*e_0_1_2&
107521  +2*e_1_1_2 &
107522  -2*e_0_0_2)
107523  e_0_1_3 = zetb*( &
107524  +c3*e_0_1_2&
107525  +2*e_1_1_2 &
107526  -4*e_0_1_1)
107527  e_1_2_2 = zeta*( c1*e_0_1_2 &
107528  +c2*e_1_1_2&
107529  +4*e_2_1_2 &
107530  -2*e_1_0_2)
107531  e_1_1_3 = zetb*( c1*e_0_1_2 &
107532  +c3*e_1_1_2&
107533  +4*e_2_1_2 &
107534  -4*e_1_1_1)
107535  e_2_2_2 = zeta*( c1*e_1_1_2 &
107536  +c2*e_2_1_2&
107537  +6*e_3_1_2 &
107538  -2*e_2_0_2)
107539  e_2_1_3 = zetb*( c1*e_1_1_2 &
107540  +c3*e_2_1_2&
107541  +6*e_3_1_2 &
107542  -4*e_2_1_1)
107543  e_3_2_2 = zeta*( c1*e_2_1_2 &
107544  +c2*e_3_1_2&
107545 
107546  )
107547  e_3_1_3 = zetb*( c1*e_2_1_2 &
107548  +c3*e_3_1_2&
107549 
107550  )
107551  e_4_2_2 = zeta*( c1*e_3_1_2 &
107552 
107553 
107554  )
107555  e_4_1_3 = zetb*( c1*e_3_1_2 &
107556 
107557 
107558  )
107559  e_0_3_2 = zeta*( &
107560  +c2*e_0_2_2&
107561  +2*e_1_2_2 &
107562  -4*e_0_1_2)
107563  e_0_2_3 = zetb*( &
107564  +c3*e_0_2_2&
107565  +2*e_1_2_2 &
107566  -4*e_0_2_1)
107567  e_1_3_2 = zeta*( c1*e_0_2_2 &
107568  +c2*e_1_2_2&
107569  +4*e_2_2_2 &
107570  -4*e_1_1_2)
107571  e_1_2_3 = zetb*( c1*e_0_2_2 &
107572  +c3*e_1_2_2&
107573  +4*e_2_2_2 &
107574  -4*e_1_2_1)
107575  e_2_3_2 = zeta*( c1*e_1_2_2 &
107576  +c2*e_2_2_2&
107577  +6*e_3_2_2 &
107578  -4*e_2_1_2)
107579  e_2_2_3 = zetb*( c1*e_1_2_2 &
107580  +c3*e_2_2_2&
107581  +6*e_3_2_2 &
107582  -4*e_2_2_1)
107583  e_3_3_2 = zeta*( c1*e_2_2_2 &
107584  +c2*e_3_2_2&
107585  +8*e_4_2_2 &
107586  -4*e_3_1_2)
107587  e_3_2_3 = zetb*( c1*e_2_2_2 &
107588  +c3*e_3_2_2&
107589  +8*e_4_2_2 &
107590  -4*e_3_2_1)
107591  e_4_3_2 = zeta*( c1*e_3_2_2 &
107592  +c2*e_4_2_2&
107593 
107594  )
107595  e_4_2_3 = zetb*( c1*e_3_2_2 &
107596  +c3*e_4_2_2&
107597 
107598  )
107599  e_5_3_2 = zeta*( c1*e_4_2_2 &
107600 
107601 
107602  )
107603  e_5_2_3 = zetb*( c1*e_4_2_2 &
107604 
107605 
107606  )
107607  e_0_4_2 = zeta*( &
107608  +c2*e_0_3_2&
107609  +2*e_1_3_2 &
107610  -6*e_0_2_2)
107611  e_0_3_3 = zetb*( &
107612  +c3*e_0_3_2&
107613  +2*e_1_3_2 &
107614  -4*e_0_3_1)
107615  e_1_4_2 = zeta*( c1*e_0_3_2 &
107616  +c2*e_1_3_2&
107617  +4*e_2_3_2 &
107618  -6*e_1_2_2)
107619  e_1_3_3 = zetb*( c1*e_0_3_2 &
107620  +c3*e_1_3_2&
107621  +4*e_2_3_2 &
107622  -4*e_1_3_1)
107623  e_2_4_2 = zeta*( c1*e_1_3_2 &
107624  +c2*e_2_3_2&
107625  +6*e_3_3_2 &
107626  -6*e_2_2_2)
107627  e_2_3_3 = zetb*( c1*e_1_3_2 &
107628  +c3*e_2_3_2&
107629  +6*e_3_3_2 &
107630  -4*e_2_3_1)
107631  e_3_4_2 = zeta*( c1*e_2_3_2 &
107632  +c2*e_3_3_2&
107633  +8*e_4_3_2 &
107634  -6*e_3_2_2)
107635  e_3_3_3 = zetb*( c1*e_2_3_2 &
107636  +c3*e_3_3_2&
107637  +8*e_4_3_2 &
107638  -4*e_3_3_1)
107639  e_4_4_2 = zeta*( c1*e_3_3_2 &
107640  +c2*e_4_3_2&
107641  +10*e_5_3_2 &
107642  -6*e_4_2_2)
107643  e_4_3_3 = zetb*( c1*e_3_3_2 &
107644  +c3*e_4_3_2&
107645  +10*e_5_3_2 &
107646  -4*e_4_3_1)
107647  e_5_4_2 = zeta*( c1*e_4_3_2 &
107648  +c2*e_5_3_2&
107649 
107650  )
107651  e_5_3_3 = zetb*( c1*e_4_3_2 &
107652  +c3*e_5_3_2&
107653 
107654  )
107655  e_6_4_2 = zeta*( c1*e_5_3_2 &
107656 
107657 
107658  )
107659  e_6_3_3 = zetb*( c1*e_5_3_2 &
107660 
107661 
107662  )
107663  e_0_4_3 = zetb*( &
107664  +c3*e_0_4_2&
107665  +2*e_1_4_2 &
107666  -4*e_0_4_1)
107667  e_1_4_3 = zetb*( c1*e_0_4_2 &
107668  +c3*e_1_4_2&
107669  +4*e_2_4_2 &
107670  -4*e_1_4_1)
107671  e_2_4_3 = zetb*( c1*e_1_4_2 &
107672  +c3*e_2_4_2&
107673  +6*e_3_4_2 &
107674  -4*e_2_4_1)
107675  e_3_4_3 = zetb*( c1*e_2_4_2 &
107676  +c3*e_3_4_2&
107677  +8*e_4_4_2 &
107678  -4*e_3_4_1)
107679  e_4_4_3 = zetb*( c1*e_3_4_2 &
107680  +c3*e_4_4_2&
107681  +10*e_5_4_2 &
107682  -4*e_4_4_1)
107683  e_5_4_3 = zetb*( c1*e_4_4_2 &
107684  +c3*e_5_4_2&
107685  +12*e_6_4_2 &
107686  -4*e_5_4_1)
107687  e_6_4_3 = zetb*( c1*e_5_4_2 &
107688  +c3*e_6_4_2&
107689 
107690  )
107691  e_7_4_3 = zetb*( c1*e_6_4_2 &
107692 
107693 
107694  )
107695  e_0_1_3 = zeta*( &
107696  +c2*e_0_0_3&
107697  +2*e_1_0_3 &
107698  )
107699  e_1_1_3 = zeta*( c1*e_0_0_3 &
107700  +c2*e_1_0_3&
107701  +4*e_2_0_3 &
107702  )
107703  e_2_1_3 = zeta*( c1*e_1_0_3 &
107704  +c2*e_2_0_3&
107705  +6*e_3_0_3 &
107706  )
107707  e_3_1_3 = zeta*( c1*e_2_0_3 &
107708  +c2*e_3_0_3&
107709 
107710  )
107711  e_4_1_3 = zeta*( c1*e_3_0_3 &
107712 
107713 
107714  )
107715  e_0_2_3 = zeta*( &
107716  +c2*e_0_1_3&
107717  +2*e_1_1_3 &
107718  -2*e_0_0_3)
107719  e_1_2_3 = zeta*( c1*e_0_1_3 &
107720  +c2*e_1_1_3&
107721  +4*e_2_1_3 &
107722  -2*e_1_0_3)
107723  e_2_2_3 = zeta*( c1*e_1_1_3 &
107724  +c2*e_2_1_3&
107725  +6*e_3_1_3 &
107726  -2*e_2_0_3)
107727  e_3_2_3 = zeta*( c1*e_2_1_3 &
107728  +c2*e_3_1_3&
107729  +8*e_4_1_3 &
107730  -2*e_3_0_3)
107731  e_4_2_3 = zeta*( c1*e_3_1_3 &
107732  +c2*e_4_1_3&
107733 
107734  )
107735  e_5_2_3 = zeta*( c1*e_4_1_3 &
107736 
107737 
107738  )
107739  e_0_3_3 = zeta*( &
107740  +c2*e_0_2_3&
107741  +2*e_1_2_3 &
107742  -4*e_0_1_3)
107743  e_1_3_3 = zeta*( c1*e_0_2_3 &
107744  +c2*e_1_2_3&
107745  +4*e_2_2_3 &
107746  -4*e_1_1_3)
107747  e_2_3_3 = zeta*( c1*e_1_2_3 &
107748  +c2*e_2_2_3&
107749  +6*e_3_2_3 &
107750  -4*e_2_1_3)
107751  e_3_3_3 = zeta*( c1*e_2_2_3 &
107752  +c2*e_3_2_3&
107753  +8*e_4_2_3 &
107754  -4*e_3_1_3)
107755  e_4_3_3 = zeta*( c1*e_3_2_3 &
107756  +c2*e_4_2_3&
107757  +10*e_5_2_3 &
107758  -4*e_4_1_3)
107759  e_5_3_3 = zeta*( c1*e_4_2_3 &
107760  +c2*e_5_2_3&
107761 
107762  )
107763  e_6_3_3 = zeta*( c1*e_5_2_3 &
107764 
107765 
107766  )
107767  e_0_4_3 = zeta*( &
107768  +c2*e_0_3_3&
107769  +2*e_1_3_3 &
107770  -6*e_0_2_3)
107771  e_1_4_3 = zeta*( c1*e_0_3_3 &
107772  +c2*e_1_3_3&
107773  +4*e_2_3_3 &
107774  -6*e_1_2_3)
107775  e_2_4_3 = zeta*( c1*e_1_3_3 &
107776  +c2*e_2_3_3&
107777  +6*e_3_3_3 &
107778  -6*e_2_2_3)
107779  e_3_4_3 = zeta*( c1*e_2_3_3 &
107780  +c2*e_3_3_3&
107781  +8*e_4_3_3 &
107782  -6*e_3_2_3)
107783  e_4_4_3 = zeta*( c1*e_3_3_3 &
107784  +c2*e_4_3_3&
107785  +10*e_5_3_3 &
107786  -6*e_4_2_3)
107787  e_5_4_3 = zeta*( c1*e_4_3_3 &
107788  +c2*e_5_3_3&
107789  +12*e_6_3_3 &
107790  -6*e_5_2_3)
107791  e_6_4_3 = zeta*( c1*e_5_3_3 &
107792  +c2*e_6_3_3&
107793 
107794  )
107795  e_7_4_3 = zeta*( c1*e_6_3_3 &
107796 
107797 
107798  )
107799 
107800  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
107801  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
107802  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
107803  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
107804  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
107805  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
107806  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
107807  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
107808  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
107809  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
107810  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
107811  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
107812  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
107813  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
107814  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
107815  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
107816  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
107817  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
107818  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
107819  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
107820  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
107821  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
107822  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
107823  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
107824  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
107825  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
107826  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
107827  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
107828  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
107829  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
107830  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
107831  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
107832  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
107833  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
107834  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
107835  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
107836  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
107837  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
107838  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
107839  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
107840  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
107841  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
107842  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
107843  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
107844  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
107845  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
107846  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
107847  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
107848  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
107849  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
107850  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
107851  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
107852  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
107853  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
107854  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
107855  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
107856  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
107857  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
107858  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
107859  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
107860  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
107861  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
107862  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
107863  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
107864  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
107865  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
107866  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
107867  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
107868  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
107869  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
107870  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
107871  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
107872  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
107873  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
107874  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
107875  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
107876  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
107877  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
107878  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
107879  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
107880  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
107881  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
107882  s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
107883  s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
107884  s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
107885  s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
107886  s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
107887  s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
107888  s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
107889  s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
107890  r1 = r1 + dr
107891  END DO
107892 
107893  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
107894  END SUBROUTINE
107895  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_3_1_exp_1 ( &
107896  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
107897  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
107898  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
107899  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
107900  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
107901  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
107902  r_pow_t, r_tmp, rr1_delta, rr2_delta
107903 
107904  REAL(kind=dp) :: c1, c2, c3
107905  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
107906  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
107907  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
107908  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
107909  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
107910  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
107911  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
107912  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
107913  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
107914  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
107915  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
107916  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
107917  & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
107918  & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3
107919 
107920  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
107921 
107922  dr = lgth
107923  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
107924 
107925  s_r(:, :, :) = 0.0_dp
107926 
107927  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
107928 
107929  h_to_c_0_0 = sqrt(alpha/pi)
107930 
107931  h_to_c_0_1 = 0.0_dp
107932  h_to_c_1_1 = +2*alpha*h_to_c_0_0
107933  h_to_c_0_2 = -1*h_to_c_1_1
107934  h_to_c_1_2 = +2*alpha*h_to_c_0_1
107935  h_to_c_2_2 = +2*alpha*h_to_c_1_1
107936  h_to_c_0_3 = -1*h_to_c_1_2
107937  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
107938  h_to_c_2_3 = +2*alpha*h_to_c_1_2
107939  h_to_c_3_3 = +2*alpha*h_to_c_2_2
107940  h_to_c_0_4 = -1*h_to_c_1_3
107941  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
107942  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
107943  h_to_c_3_4 = +2*alpha*h_to_c_2_3
107944  h_to_c_4_4 = +2*alpha*h_to_c_3_3
107945  h_to_c_0_5 = -1*h_to_c_1_4
107946  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
107947  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
107948  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
107949  h_to_c_4_5 = +2*alpha*h_to_c_3_4
107950  h_to_c_5_5 = +2*alpha*h_to_c_4_4
107951  h_to_c_0_6 = -1*h_to_c_1_5
107952  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
107953  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
107954  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
107955  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
107956  h_to_c_5_6 = +2*alpha*h_to_c_4_5
107957  h_to_c_6_6 = +2*alpha*h_to_c_5_5
107958  h_to_c_0_7 = -1*h_to_c_1_6
107959  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
107960  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
107961  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
107962  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
107963  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
107964  h_to_c_6_7 = +2*alpha*h_to_c_5_6
107965  h_to_c_7_7 = +2*alpha*h_to_c_6_6
107966  h_to_c_0_8 = -1*h_to_c_1_7
107967  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
107968  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
107969  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
107970  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
107971  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
107972  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
107973  h_to_c_7_8 = +2*alpha*h_to_c_6_7
107974  h_to_c_8_8 = +2*alpha*h_to_c_7_7
107975 
107976  exp_drsq = exp(-alpha*dr*dr)
107977  exp_2drsq = exp_drsq*exp_drsq
107978 
107979  rr1_delta = (ra - rb)/dr
107980 
107981  rr1_l = ceiling(-r_c(1) + rr1_delta)
107982  rr1_r = floor(r_c(1) + rr1_delta)
107983 
107984  r1 = rr1_l*dr
107985 
107986  alpha_e = zeta*zetb/(zeta + zetb)
107987 
107988  DO rr1 = rr1_l, rr1_r
107989  s_r_t_0 = 0.0_dp
107990  s_r_t2_0 = 0.0_dp
107991  s_r_t_1 = 0.0_dp
107992  s_r_t2_1 = 0.0_dp
107993  s_r_t_2 = 0.0_dp
107994  s_r_t2_2 = 0.0_dp
107995  s_r_t_3 = 0.0_dp
107996  s_r_t2_3 = 0.0_dp
107997  s_r_t_4 = 0.0_dp
107998  s_r_t2_4 = 0.0_dp
107999  s_r_t_5 = 0.0_dp
108000  s_r_t2_5 = 0.0_dp
108001  s_r_t_6 = 0.0_dp
108002  s_r_t2_6 = 0.0_dp
108003  s_r_t_7 = 0.0_dp
108004  s_r_t2_7 = 0.0_dp
108005  s_r_t_8 = 0.0_dp
108006  s_r_t2_8 = 0.0_dp
108007  r_tmp = r_offset + r1*zeta/(zeta + zetb)
108008  rr2_delta = -r_tmp/dr
108009 
108010  rr2_l = ceiling(-r_c(2) + rr2_delta)
108011  rr2_r = floor(r_c(2) + rr2_delta)
108012 
108013  r = r_tmp + (rr2_l)*dr
108014 
108015  exp2_2rdr = exp(-2*alpha*r*dr)
108016  exp2_rsq = exp(-alpha*r*r)
108017 
108018  DO rr2 = rr2_l, rr2_r
108019  r_pow_t = 1.0_dp
108020  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
108021  r_pow_t = r_pow_t*r
108022  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
108023  r_pow_t = r_pow_t*r
108024  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
108025  r_pow_t = r_pow_t*r
108026  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
108027  r_pow_t = r_pow_t*r
108028  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
108029  r_pow_t = r_pow_t*r
108030  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
108031  r_pow_t = r_pow_t*r
108032  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
108033  r_pow_t = r_pow_t*r
108034  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
108035  r_pow_t = r_pow_t*r
108036  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
108037 
108038  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
108039  exp2_2rdr = exp2_2rdr*exp_2drsq
108040  r = r + dr
108041  END DO
108042 
108043  ! C --> H
108044  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
108045  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
108046  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
108047  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
108048  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
108049  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
108050  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
108051  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
108052  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
108053  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
108054  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
108055  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
108056  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
108057  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
108058  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
108059  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
108060  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
108061  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
108062  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
108063  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
108064  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
108065  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
108066  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
108067  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
108068  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
108069  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
108070  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
108071  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
108072  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
108073  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
108074  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
108075  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
108076  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
108077  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
108078  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
108079  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
108080  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
108081  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
108082  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
108083  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
108084  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
108085  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
108086  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
108087  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
108088  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
108089 
108090  ! H --> HH
108091  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
108092 
108093  c1 = 1.0_dp/(zeta + zetb)
108094  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
108095  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
108096 
108097  e_0_1_0 = zeta*( &
108098  +c2*e_0_0_0&
108099 
108100  )
108101  e_0_0_1 = zetb*( &
108102  +c3*e_0_0_0&
108103 
108104  )
108105  e_1_1_0 = zeta*( c1*e_0_0_0 &
108106 
108107 
108108  )
108109  e_1_0_1 = zetb*( c1*e_0_0_0 &
108110 
108111 
108112  )
108113  e_0_2_0 = zeta*( &
108114  +c2*e_0_1_0&
108115  +2*e_1_1_0 &
108116  -2*e_0_0_0)
108117  e_0_1_1 = zetb*( &
108118  +c3*e_0_1_0&
108119  +2*e_1_1_0 &
108120  )
108121  e_1_2_0 = zeta*( c1*e_0_1_0 &
108122  +c2*e_1_1_0&
108123 
108124  )
108125  e_1_1_1 = zetb*( c1*e_0_1_0 &
108126  +c3*e_1_1_0&
108127 
108128  )
108129  e_2_2_0 = zeta*( c1*e_1_1_0 &
108130 
108131 
108132  )
108133  e_2_1_1 = zetb*( c1*e_1_1_0 &
108134 
108135 
108136  )
108137  e_0_3_0 = zeta*( &
108138  +c2*e_0_2_0&
108139  +2*e_1_2_0 &
108140  -4*e_0_1_0)
108141  e_0_2_1 = zetb*( &
108142  +c3*e_0_2_0&
108143  +2*e_1_2_0 &
108144  )
108145  e_1_3_0 = zeta*( c1*e_0_2_0 &
108146  +c2*e_1_2_0&
108147  +4*e_2_2_0 &
108148  -4*e_1_1_0)
108149  e_1_2_1 = zetb*( c1*e_0_2_0 &
108150  +c3*e_1_2_0&
108151  +4*e_2_2_0 &
108152  )
108153  e_2_3_0 = zeta*( c1*e_1_2_0 &
108154  +c2*e_2_2_0&
108155 
108156  )
108157  e_2_2_1 = zetb*( c1*e_1_2_0 &
108158  +c3*e_2_2_0&
108159 
108160  )
108161  e_3_3_0 = zeta*( c1*e_2_2_0 &
108162 
108163 
108164  )
108165  e_3_2_1 = zetb*( c1*e_2_2_0 &
108166 
108167 
108168  )
108169  e_0_4_0 = zeta*( &
108170  +c2*e_0_3_0&
108171  +2*e_1_3_0 &
108172  -6*e_0_2_0)
108173  e_0_3_1 = zetb*( &
108174  +c3*e_0_3_0&
108175  +2*e_1_3_0 &
108176  )
108177  e_1_4_0 = zeta*( c1*e_0_3_0 &
108178  +c2*e_1_3_0&
108179  +4*e_2_3_0 &
108180  -6*e_1_2_0)
108181  e_1_3_1 = zetb*( c1*e_0_3_0 &
108182  +c3*e_1_3_0&
108183  +4*e_2_3_0 &
108184  )
108185  e_2_4_0 = zeta*( c1*e_1_3_0 &
108186  +c2*e_2_3_0&
108187  +6*e_3_3_0 &
108188  -6*e_2_2_0)
108189  e_2_3_1 = zetb*( c1*e_1_3_0 &
108190  +c3*e_2_3_0&
108191  +6*e_3_3_0 &
108192  )
108193  e_3_4_0 = zeta*( c1*e_2_3_0 &
108194  +c2*e_3_3_0&
108195 
108196  )
108197  e_3_3_1 = zetb*( c1*e_2_3_0 &
108198  +c3*e_3_3_0&
108199 
108200  )
108201  e_4_4_0 = zeta*( c1*e_3_3_0 &
108202 
108203 
108204  )
108205  e_4_3_1 = zetb*( c1*e_3_3_0 &
108206 
108207 
108208  )
108209  e_0_4_1 = zetb*( &
108210  +c3*e_0_4_0&
108211  +2*e_1_4_0 &
108212  )
108213  e_1_4_1 = zetb*( c1*e_0_4_0 &
108214  +c3*e_1_4_0&
108215  +4*e_2_4_0 &
108216  )
108217  e_2_4_1 = zetb*( c1*e_1_4_0 &
108218  +c3*e_2_4_0&
108219  +6*e_3_4_0 &
108220  )
108221  e_3_4_1 = zetb*( c1*e_2_4_0 &
108222  +c3*e_3_4_0&
108223  +8*e_4_4_0 &
108224  )
108225  e_4_4_1 = zetb*( c1*e_3_4_0 &
108226  +c3*e_4_4_0&
108227 
108228  )
108229  e_5_4_1 = zetb*( c1*e_4_4_0 &
108230 
108231 
108232  )
108233  e_0_1_1 = zeta*( &
108234  +c2*e_0_0_1&
108235  +2*e_1_0_1 &
108236  )
108237  e_0_0_2 = zetb*( &
108238  +c3*e_0_0_1&
108239  +2*e_1_0_1 &
108240  -2*e_0_0_0)
108241  e_1_1_1 = zeta*( c1*e_0_0_1 &
108242  +c2*e_1_0_1&
108243 
108244  )
108245  e_1_0_2 = zetb*( c1*e_0_0_1 &
108246  +c3*e_1_0_1&
108247 
108248  )
108249  e_2_1_1 = zeta*( c1*e_1_0_1 &
108250 
108251 
108252  )
108253  e_2_0_2 = zetb*( c1*e_1_0_1 &
108254 
108255 
108256  )
108257  e_0_2_1 = zeta*( &
108258  +c2*e_0_1_1&
108259  +2*e_1_1_1 &
108260  -2*e_0_0_1)
108261  e_0_1_2 = zetb*( &
108262  +c3*e_0_1_1&
108263  +2*e_1_1_1 &
108264  -2*e_0_1_0)
108265  e_1_2_1 = zeta*( c1*e_0_1_1 &
108266  +c2*e_1_1_1&
108267  +4*e_2_1_1 &
108268  -2*e_1_0_1)
108269  e_1_1_2 = zetb*( c1*e_0_1_1 &
108270  +c3*e_1_1_1&
108271  +4*e_2_1_1 &
108272  -2*e_1_1_0)
108273  e_2_2_1 = zeta*( c1*e_1_1_1 &
108274  +c2*e_2_1_1&
108275 
108276  )
108277  e_2_1_2 = zetb*( c1*e_1_1_1 &
108278  +c3*e_2_1_1&
108279 
108280  )
108281  e_3_2_1 = zeta*( c1*e_2_1_1 &
108282 
108283 
108284  )
108285  e_3_1_2 = zetb*( c1*e_2_1_1 &
108286 
108287 
108288  )
108289  e_0_3_1 = zeta*( &
108290  +c2*e_0_2_1&
108291  +2*e_1_2_1 &
108292  -4*e_0_1_1)
108293  e_0_2_2 = zetb*( &
108294  +c3*e_0_2_1&
108295  +2*e_1_2_1 &
108296  -2*e_0_2_0)
108297  e_1_3_1 = zeta*( c1*e_0_2_1 &
108298  +c2*e_1_2_1&
108299  +4*e_2_2_1 &
108300  -4*e_1_1_1)
108301  e_1_2_2 = zetb*( c1*e_0_2_1 &
108302  +c3*e_1_2_1&
108303  +4*e_2_2_1 &
108304  -2*e_1_2_0)
108305  e_2_3_1 = zeta*( c1*e_1_2_1 &
108306  +c2*e_2_2_1&
108307  +6*e_3_2_1 &
108308  -4*e_2_1_1)
108309  e_2_2_2 = zetb*( c1*e_1_2_1 &
108310  +c3*e_2_2_1&
108311  +6*e_3_2_1 &
108312  -2*e_2_2_0)
108313  e_3_3_1 = zeta*( c1*e_2_2_1 &
108314  +c2*e_3_2_1&
108315 
108316  )
108317  e_3_2_2 = zetb*( c1*e_2_2_1 &
108318  +c3*e_3_2_1&
108319 
108320  )
108321  e_4_3_1 = zeta*( c1*e_3_2_1 &
108322 
108323 
108324  )
108325  e_4_2_2 = zetb*( c1*e_3_2_1 &
108326 
108327 
108328  )
108329  e_0_4_1 = zeta*( &
108330  +c2*e_0_3_1&
108331  +2*e_1_3_1 &
108332  -6*e_0_2_1)
108333  e_0_3_2 = zetb*( &
108334  +c3*e_0_3_1&
108335  +2*e_1_3_1 &
108336  -2*e_0_3_0)
108337  e_1_4_1 = zeta*( c1*e_0_3_1 &
108338  +c2*e_1_3_1&
108339  +4*e_2_3_1 &
108340  -6*e_1_2_1)
108341  e_1_3_2 = zetb*( c1*e_0_3_1 &
108342  +c3*e_1_3_1&
108343  +4*e_2_3_1 &
108344  -2*e_1_3_0)
108345  e_2_4_1 = zeta*( c1*e_1_3_1 &
108346  +c2*e_2_3_1&
108347  +6*e_3_3_1 &
108348  -6*e_2_2_1)
108349  e_2_3_2 = zetb*( c1*e_1_3_1 &
108350  +c3*e_2_3_1&
108351  +6*e_3_3_1 &
108352  -2*e_2_3_0)
108353  e_3_4_1 = zeta*( c1*e_2_3_1 &
108354  +c2*e_3_3_1&
108355  +8*e_4_3_1 &
108356  -6*e_3_2_1)
108357  e_3_3_2 = zetb*( c1*e_2_3_1 &
108358  +c3*e_3_3_1&
108359  +8*e_4_3_1 &
108360  -2*e_3_3_0)
108361  e_4_4_1 = zeta*( c1*e_3_3_1 &
108362  +c2*e_4_3_1&
108363 
108364  )
108365  e_4_3_2 = zetb*( c1*e_3_3_1 &
108366  +c3*e_4_3_1&
108367 
108368  )
108369  e_5_4_1 = zeta*( c1*e_4_3_1 &
108370 
108371 
108372  )
108373  e_5_3_2 = zetb*( c1*e_4_3_1 &
108374 
108375 
108376  )
108377  e_0_4_2 = zetb*( &
108378  +c3*e_0_4_1&
108379  +2*e_1_4_1 &
108380  -2*e_0_4_0)
108381  e_1_4_2 = zetb*( c1*e_0_4_1 &
108382  +c3*e_1_4_1&
108383  +4*e_2_4_1 &
108384  -2*e_1_4_0)
108385  e_2_4_2 = zetb*( c1*e_1_4_1 &
108386  +c3*e_2_4_1&
108387  +6*e_3_4_1 &
108388  -2*e_2_4_0)
108389  e_3_4_2 = zetb*( c1*e_2_4_1 &
108390  +c3*e_3_4_1&
108391  +8*e_4_4_1 &
108392  -2*e_3_4_0)
108393  e_4_4_2 = zetb*( c1*e_3_4_1 &
108394  +c3*e_4_4_1&
108395  +10*e_5_4_1 &
108396  -2*e_4_4_0)
108397  e_5_4_2 = zetb*( c1*e_4_4_1 &
108398  +c3*e_5_4_1&
108399 
108400  )
108401  e_6_4_2 = zetb*( c1*e_5_4_1 &
108402 
108403 
108404  )
108405  e_0_1_2 = zeta*( &
108406  +c2*e_0_0_2&
108407  +2*e_1_0_2 &
108408  )
108409  e_0_0_3 = zetb*( &
108410  +c3*e_0_0_2&
108411  +2*e_1_0_2 &
108412  -4*e_0_0_1)
108413  e_1_1_2 = zeta*( c1*e_0_0_2 &
108414  +c2*e_1_0_2&
108415  +4*e_2_0_2 &
108416  )
108417  e_1_0_3 = zetb*( c1*e_0_0_2 &
108418  +c3*e_1_0_2&
108419  +4*e_2_0_2 &
108420  -4*e_1_0_1)
108421  e_2_1_2 = zeta*( c1*e_1_0_2 &
108422  +c2*e_2_0_2&
108423 
108424  )
108425  e_2_0_3 = zetb*( c1*e_1_0_2 &
108426  +c3*e_2_0_2&
108427 
108428  )
108429  e_3_1_2 = zeta*( c1*e_2_0_2 &
108430 
108431 
108432  )
108433  e_3_0_3 = zetb*( c1*e_2_0_2 &
108434 
108435 
108436  )
108437  e_0_2_2 = zeta*( &
108438  +c2*e_0_1_2&
108439  +2*e_1_1_2 &
108440  -2*e_0_0_2)
108441  e_0_1_3 = zetb*( &
108442  +c3*e_0_1_2&
108443  +2*e_1_1_2 &
108444  -4*e_0_1_1)
108445  e_1_2_2 = zeta*( c1*e_0_1_2 &
108446  +c2*e_1_1_2&
108447  +4*e_2_1_2 &
108448  -2*e_1_0_2)
108449  e_1_1_3 = zetb*( c1*e_0_1_2 &
108450  +c3*e_1_1_2&
108451  +4*e_2_1_2 &
108452  -4*e_1_1_1)
108453  e_2_2_2 = zeta*( c1*e_1_1_2 &
108454  +c2*e_2_1_2&
108455  +6*e_3_1_2 &
108456  -2*e_2_0_2)
108457  e_2_1_3 = zetb*( c1*e_1_1_2 &
108458  +c3*e_2_1_2&
108459  +6*e_3_1_2 &
108460  -4*e_2_1_1)
108461  e_3_2_2 = zeta*( c1*e_2_1_2 &
108462  +c2*e_3_1_2&
108463 
108464  )
108465  e_3_1_3 = zetb*( c1*e_2_1_2 &
108466  +c3*e_3_1_2&
108467 
108468  )
108469  e_4_2_2 = zeta*( c1*e_3_1_2 &
108470 
108471 
108472  )
108473  e_4_1_3 = zetb*( c1*e_3_1_2 &
108474 
108475 
108476  )
108477  e_0_3_2 = zeta*( &
108478  +c2*e_0_2_2&
108479  +2*e_1_2_2 &
108480  -4*e_0_1_2)
108481  e_0_2_3 = zetb*( &
108482  +c3*e_0_2_2&
108483  +2*e_1_2_2 &
108484  -4*e_0_2_1)
108485  e_1_3_2 = zeta*( c1*e_0_2_2 &
108486  +c2*e_1_2_2&
108487  +4*e_2_2_2 &
108488  -4*e_1_1_2)
108489  e_1_2_3 = zetb*( c1*e_0_2_2 &
108490  +c3*e_1_2_2&
108491  +4*e_2_2_2 &
108492  -4*e_1_2_1)
108493  e_2_3_2 = zeta*( c1*e_1_2_2 &
108494  +c2*e_2_2_2&
108495  +6*e_3_2_2 &
108496  -4*e_2_1_2)
108497  e_2_2_3 = zetb*( c1*e_1_2_2 &
108498  +c3*e_2_2_2&
108499  +6*e_3_2_2 &
108500  -4*e_2_2_1)
108501  e_3_3_2 = zeta*( c1*e_2_2_2 &
108502  +c2*e_3_2_2&
108503  +8*e_4_2_2 &
108504  -4*e_3_1_2)
108505  e_3_2_3 = zetb*( c1*e_2_2_2 &
108506  +c3*e_3_2_2&
108507  +8*e_4_2_2 &
108508  -4*e_3_2_1)
108509  e_4_3_2 = zeta*( c1*e_3_2_2 &
108510  +c2*e_4_2_2&
108511 
108512  )
108513  e_4_2_3 = zetb*( c1*e_3_2_2 &
108514  +c3*e_4_2_2&
108515 
108516  )
108517  e_5_3_2 = zeta*( c1*e_4_2_2 &
108518 
108519 
108520  )
108521  e_5_2_3 = zetb*( c1*e_4_2_2 &
108522 
108523 
108524  )
108525  e_0_4_2 = zeta*( &
108526  +c2*e_0_3_2&
108527  +2*e_1_3_2 &
108528  -6*e_0_2_2)
108529  e_0_3_3 = zetb*( &
108530  +c3*e_0_3_2&
108531  +2*e_1_3_2 &
108532  -4*e_0_3_1)
108533  e_1_4_2 = zeta*( c1*e_0_3_2 &
108534  +c2*e_1_3_2&
108535  +4*e_2_3_2 &
108536  -6*e_1_2_2)
108537  e_1_3_3 = zetb*( c1*e_0_3_2 &
108538  +c3*e_1_3_2&
108539  +4*e_2_3_2 &
108540  -4*e_1_3_1)
108541  e_2_4_2 = zeta*( c1*e_1_3_2 &
108542  +c2*e_2_3_2&
108543  +6*e_3_3_2 &
108544  -6*e_2_2_2)
108545  e_2_3_3 = zetb*( c1*e_1_3_2 &
108546  +c3*e_2_3_2&
108547  +6*e_3_3_2 &
108548  -4*e_2_3_1)
108549  e_3_4_2 = zeta*( c1*e_2_3_2 &
108550  +c2*e_3_3_2&
108551  +8*e_4_3_2 &
108552  -6*e_3_2_2)
108553  e_3_3_3 = zetb*( c1*e_2_3_2 &
108554  +c3*e_3_3_2&
108555  +8*e_4_3_2 &
108556  -4*e_3_3_1)
108557  e_4_4_2 = zeta*( c1*e_3_3_2 &
108558  +c2*e_4_3_2&
108559  +10*e_5_3_2 &
108560  -6*e_4_2_2)
108561  e_4_3_3 = zetb*( c1*e_3_3_2 &
108562  +c3*e_4_3_2&
108563  +10*e_5_3_2 &
108564  -4*e_4_3_1)
108565  e_5_4_2 = zeta*( c1*e_4_3_2 &
108566  +c2*e_5_3_2&
108567 
108568  )
108569  e_5_3_3 = zetb*( c1*e_4_3_2 &
108570  +c3*e_5_3_2&
108571 
108572  )
108573  e_6_4_2 = zeta*( c1*e_5_3_2 &
108574 
108575 
108576  )
108577  e_6_3_3 = zetb*( c1*e_5_3_2 &
108578 
108579 
108580  )
108581  e_0_4_3 = zetb*( &
108582  +c3*e_0_4_2&
108583  +2*e_1_4_2 &
108584  -4*e_0_4_1)
108585  e_1_4_3 = zetb*( c1*e_0_4_2 &
108586  +c3*e_1_4_2&
108587  +4*e_2_4_2 &
108588  -4*e_1_4_1)
108589  e_2_4_3 = zetb*( c1*e_1_4_2 &
108590  +c3*e_2_4_2&
108591  +6*e_3_4_2 &
108592  -4*e_2_4_1)
108593  e_3_4_3 = zetb*( c1*e_2_4_2 &
108594  +c3*e_3_4_2&
108595  +8*e_4_4_2 &
108596  -4*e_3_4_1)
108597  e_4_4_3 = zetb*( c1*e_3_4_2 &
108598  +c3*e_4_4_2&
108599  +10*e_5_4_2 &
108600  -4*e_4_4_1)
108601  e_5_4_3 = zetb*( c1*e_4_4_2 &
108602  +c3*e_5_4_2&
108603  +12*e_6_4_2 &
108604  -4*e_5_4_1)
108605  e_6_4_3 = zetb*( c1*e_5_4_2 &
108606  +c3*e_6_4_2&
108607 
108608  )
108609  e_7_4_3 = zetb*( c1*e_6_4_2 &
108610 
108611 
108612  )
108613  e_0_1_3 = zeta*( &
108614  +c2*e_0_0_3&
108615  +2*e_1_0_3 &
108616  )
108617  e_1_1_3 = zeta*( c1*e_0_0_3 &
108618  +c2*e_1_0_3&
108619  +4*e_2_0_3 &
108620  )
108621  e_2_1_3 = zeta*( c1*e_1_0_3 &
108622  +c2*e_2_0_3&
108623  +6*e_3_0_3 &
108624  )
108625  e_3_1_3 = zeta*( c1*e_2_0_3 &
108626  +c2*e_3_0_3&
108627 
108628  )
108629  e_4_1_3 = zeta*( c1*e_3_0_3 &
108630 
108631 
108632  )
108633  e_0_2_3 = zeta*( &
108634  +c2*e_0_1_3&
108635  +2*e_1_1_3 &
108636  -2*e_0_0_3)
108637  e_1_2_3 = zeta*( c1*e_0_1_3 &
108638  +c2*e_1_1_3&
108639  +4*e_2_1_3 &
108640  -2*e_1_0_3)
108641  e_2_2_3 = zeta*( c1*e_1_1_3 &
108642  +c2*e_2_1_3&
108643  +6*e_3_1_3 &
108644  -2*e_2_0_3)
108645  e_3_2_3 = zeta*( c1*e_2_1_3 &
108646  +c2*e_3_1_3&
108647  +8*e_4_1_3 &
108648  -2*e_3_0_3)
108649  e_4_2_3 = zeta*( c1*e_3_1_3 &
108650  +c2*e_4_1_3&
108651 
108652  )
108653  e_5_2_3 = zeta*( c1*e_4_1_3 &
108654 
108655 
108656  )
108657  e_0_3_3 = zeta*( &
108658  +c2*e_0_2_3&
108659  +2*e_1_2_3 &
108660  -4*e_0_1_3)
108661  e_1_3_3 = zeta*( c1*e_0_2_3 &
108662  +c2*e_1_2_3&
108663  +4*e_2_2_3 &
108664  -4*e_1_1_3)
108665  e_2_3_3 = zeta*( c1*e_1_2_3 &
108666  +c2*e_2_2_3&
108667  +6*e_3_2_3 &
108668  -4*e_2_1_3)
108669  e_3_3_3 = zeta*( c1*e_2_2_3 &
108670  +c2*e_3_2_3&
108671  +8*e_4_2_3 &
108672  -4*e_3_1_3)
108673  e_4_3_3 = zeta*( c1*e_3_2_3 &
108674  +c2*e_4_2_3&
108675  +10*e_5_2_3 &
108676  -4*e_4_1_3)
108677  e_5_3_3 = zeta*( c1*e_4_2_3 &
108678  +c2*e_5_2_3&
108679 
108680  )
108681  e_6_3_3 = zeta*( c1*e_5_2_3 &
108682 
108683 
108684  )
108685  e_0_4_3 = zeta*( &
108686  +c2*e_0_3_3&
108687  +2*e_1_3_3 &
108688  -6*e_0_2_3)
108689  e_1_4_3 = zeta*( c1*e_0_3_3 &
108690  +c2*e_1_3_3&
108691  +4*e_2_3_3 &
108692  -6*e_1_2_3)
108693  e_2_4_3 = zeta*( c1*e_1_3_3 &
108694  +c2*e_2_3_3&
108695  +6*e_3_3_3 &
108696  -6*e_2_2_3)
108697  e_3_4_3 = zeta*( c1*e_2_3_3 &
108698  +c2*e_3_3_3&
108699  +8*e_4_3_3 &
108700  -6*e_3_2_3)
108701  e_4_4_3 = zeta*( c1*e_3_3_3 &
108702  +c2*e_4_3_3&
108703  +10*e_5_3_3 &
108704  -6*e_4_2_3)
108705  e_5_4_3 = zeta*( c1*e_4_3_3 &
108706  +c2*e_5_3_3&
108707  +12*e_6_3_3 &
108708  -6*e_5_2_3)
108709  e_6_4_3 = zeta*( c1*e_5_3_3 &
108710  +c2*e_6_3_3&
108711 
108712  )
108713  e_7_4_3 = zeta*( c1*e_6_3_3 &
108714 
108715 
108716  )
108717 
108718  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
108719  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
108720  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
108721  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
108722  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
108723  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
108724  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
108725  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
108726  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
108727  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
108728  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
108729  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
108730  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
108731  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
108732  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
108733  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
108734  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
108735  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
108736  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
108737  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
108738  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
108739  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
108740  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
108741  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
108742  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
108743  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
108744  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
108745  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
108746  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
108747  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
108748  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
108749  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
108750  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
108751  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
108752  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
108753  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
108754  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
108755  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
108756  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
108757  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
108758  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
108759  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
108760  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
108761  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
108762  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
108763  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
108764  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
108765  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
108766  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
108767  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
108768  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
108769  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
108770  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
108771  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
108772  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
108773  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
108774  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
108775  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
108776  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
108777  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
108778  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
108779  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
108780  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
108781  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
108782  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
108783  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
108784  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
108785  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
108786  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
108787  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
108788  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
108789  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
108790  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
108791  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
108792  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
108793  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
108794  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
108795  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
108796  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
108797  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
108798  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
108799  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
108800  s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
108801  s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
108802  s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
108803  s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
108804  s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
108805  s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
108806  s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
108807  s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
108808  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
108809  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
108810  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
108811  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
108812  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
108813  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
108814  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
108815  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
108816  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
108817  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
108818  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
108819  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
108820  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
108821  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
108822  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
108823  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
108824  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
108825  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
108826  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
108827  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
108828  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
108829  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
108830  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
108831  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
108832  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
108833  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
108834  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
108835  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
108836  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
108837  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
108838  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
108839  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
108840  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
108841  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
108842  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
108843  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
108844  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
108845  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
108846  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
108847  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
108848  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
108849  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
108850  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
108851  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
108852  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
108853  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
108854  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
108855  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
108856  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
108857  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
108858  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
108859  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
108860  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
108861  s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
108862  s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
108863  s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
108864  s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
108865  s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
108866  s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
108867  s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
108868  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
108869  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
108870  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
108871  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
108872  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
108873  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
108874  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
108875  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
108876  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
108877  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
108878  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
108879  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
108880  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
108881  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
108882  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
108883  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
108884  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
108885  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
108886  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
108887  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
108888  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
108889  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
108890  s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
108891  s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
108892  s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
108893  s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
108894  s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
108895  s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
108896  s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
108897  s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
108898  r1 = r1 + dr
108899  END DO
108900 
108901  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
108902  END SUBROUTINE
108903  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_3_2_exp_1 ( &
108904  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
108905  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
108906  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
108907  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
108908  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
108909  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
108910  r_pow_t, r_tmp, rr1_delta, rr2_delta
108911 
108912  REAL(kind=dp) :: c1, c2, c3
108913  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
108914  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
108915  & s_r_t2_9
108916  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
108917  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
108918  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
108919  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
108920  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
108921  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
108922  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
108923  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
108924  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
108925  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
108926  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
108927  & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
108928  & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3
108929 
108930  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
108931 
108932  dr = lgth
108933  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
108934 
108935  s_r(:, :, :) = 0.0_dp
108936 
108937  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
108938 
108939  h_to_c_0_0 = sqrt(alpha/pi)
108940 
108941  h_to_c_0_1 = 0.0_dp
108942  h_to_c_1_1 = +2*alpha*h_to_c_0_0
108943  h_to_c_0_2 = -1*h_to_c_1_1
108944  h_to_c_1_2 = +2*alpha*h_to_c_0_1
108945  h_to_c_2_2 = +2*alpha*h_to_c_1_1
108946  h_to_c_0_3 = -1*h_to_c_1_2
108947  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
108948  h_to_c_2_3 = +2*alpha*h_to_c_1_2
108949  h_to_c_3_3 = +2*alpha*h_to_c_2_2
108950  h_to_c_0_4 = -1*h_to_c_1_3
108951  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
108952  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
108953  h_to_c_3_4 = +2*alpha*h_to_c_2_3
108954  h_to_c_4_4 = +2*alpha*h_to_c_3_3
108955  h_to_c_0_5 = -1*h_to_c_1_4
108956  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
108957  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
108958  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
108959  h_to_c_4_5 = +2*alpha*h_to_c_3_4
108960  h_to_c_5_5 = +2*alpha*h_to_c_4_4
108961  h_to_c_0_6 = -1*h_to_c_1_5
108962  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
108963  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
108964  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
108965  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
108966  h_to_c_5_6 = +2*alpha*h_to_c_4_5
108967  h_to_c_6_6 = +2*alpha*h_to_c_5_5
108968  h_to_c_0_7 = -1*h_to_c_1_6
108969  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
108970  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
108971  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
108972  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
108973  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
108974  h_to_c_6_7 = +2*alpha*h_to_c_5_6
108975  h_to_c_7_7 = +2*alpha*h_to_c_6_6
108976  h_to_c_0_8 = -1*h_to_c_1_7
108977  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
108978  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
108979  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
108980  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
108981  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
108982  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
108983  h_to_c_7_8 = +2*alpha*h_to_c_6_7
108984  h_to_c_8_8 = +2*alpha*h_to_c_7_7
108985  h_to_c_0_9 = -1*h_to_c_1_8
108986  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
108987  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
108988  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
108989  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
108990  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
108991  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
108992  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
108993  h_to_c_8_9 = +2*alpha*h_to_c_7_8
108994  h_to_c_9_9 = +2*alpha*h_to_c_8_8
108995 
108996  exp_drsq = exp(-alpha*dr*dr)
108997  exp_2drsq = exp_drsq*exp_drsq
108998 
108999  rr1_delta = (ra - rb)/dr
109000 
109001  rr1_l = ceiling(-r_c(1) + rr1_delta)
109002  rr1_r = floor(r_c(1) + rr1_delta)
109003 
109004  r1 = rr1_l*dr
109005 
109006  alpha_e = zeta*zetb/(zeta + zetb)
109007 
109008  DO rr1 = rr1_l, rr1_r
109009  s_r_t_0 = 0.0_dp
109010  s_r_t2_0 = 0.0_dp
109011  s_r_t_1 = 0.0_dp
109012  s_r_t2_1 = 0.0_dp
109013  s_r_t_2 = 0.0_dp
109014  s_r_t2_2 = 0.0_dp
109015  s_r_t_3 = 0.0_dp
109016  s_r_t2_3 = 0.0_dp
109017  s_r_t_4 = 0.0_dp
109018  s_r_t2_4 = 0.0_dp
109019  s_r_t_5 = 0.0_dp
109020  s_r_t2_5 = 0.0_dp
109021  s_r_t_6 = 0.0_dp
109022  s_r_t2_6 = 0.0_dp
109023  s_r_t_7 = 0.0_dp
109024  s_r_t2_7 = 0.0_dp
109025  s_r_t_8 = 0.0_dp
109026  s_r_t2_8 = 0.0_dp
109027  s_r_t_9 = 0.0_dp
109028  s_r_t2_9 = 0.0_dp
109029  r_tmp = r_offset + r1*zeta/(zeta + zetb)
109030  rr2_delta = -r_tmp/dr
109031 
109032  rr2_l = ceiling(-r_c(2) + rr2_delta)
109033  rr2_r = floor(r_c(2) + rr2_delta)
109034 
109035  r = r_tmp + (rr2_l)*dr
109036 
109037  exp2_2rdr = exp(-2*alpha*r*dr)
109038  exp2_rsq = exp(-alpha*r*r)
109039 
109040  DO rr2 = rr2_l, rr2_r
109041  r_pow_t = 1.0_dp
109042  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
109043  r_pow_t = r_pow_t*r
109044  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
109045  r_pow_t = r_pow_t*r
109046  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
109047  r_pow_t = r_pow_t*r
109048  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
109049  r_pow_t = r_pow_t*r
109050  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
109051  r_pow_t = r_pow_t*r
109052  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
109053  r_pow_t = r_pow_t*r
109054  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
109055  r_pow_t = r_pow_t*r
109056  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
109057  r_pow_t = r_pow_t*r
109058  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
109059  r_pow_t = r_pow_t*r
109060  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
109061 
109062  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
109063  exp2_2rdr = exp2_2rdr*exp_2drsq
109064  r = r + dr
109065  END DO
109066 
109067  ! C --> H
109068  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
109069  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
109070  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
109071  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
109072  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
109073  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
109074  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
109075  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
109076  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
109077  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
109078  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
109079  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
109080  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
109081  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
109082  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
109083  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
109084  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
109085  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
109086  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
109087  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
109088  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
109089  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
109090  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
109091  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
109092  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
109093  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
109094  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
109095  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
109096  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
109097  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
109098  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
109099  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
109100  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
109101  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
109102  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
109103  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
109104  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
109105  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
109106  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
109107  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
109108  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
109109  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
109110  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
109111  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
109112  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
109113  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
109114  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
109115  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
109116  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
109117  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
109118  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
109119  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
109120  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
109121  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
109122  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
109123 
109124  ! H --> HH
109125  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
109126 
109127  c1 = 1.0_dp/(zeta + zetb)
109128  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
109129  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
109130 
109131  e_0_1_0 = zeta*( &
109132  +c2*e_0_0_0&
109133 
109134  )
109135  e_0_0_1 = zetb*( &
109136  +c3*e_0_0_0&
109137 
109138  )
109139  e_1_1_0 = zeta*( c1*e_0_0_0 &
109140 
109141 
109142  )
109143  e_1_0_1 = zetb*( c1*e_0_0_0 &
109144 
109145 
109146  )
109147  e_0_2_0 = zeta*( &
109148  +c2*e_0_1_0&
109149  +2*e_1_1_0 &
109150  -2*e_0_0_0)
109151  e_0_1_1 = zetb*( &
109152  +c3*e_0_1_0&
109153  +2*e_1_1_0 &
109154  )
109155  e_1_2_0 = zeta*( c1*e_0_1_0 &
109156  +c2*e_1_1_0&
109157 
109158  )
109159  e_1_1_1 = zetb*( c1*e_0_1_0 &
109160  +c3*e_1_1_0&
109161 
109162  )
109163  e_2_2_0 = zeta*( c1*e_1_1_0 &
109164 
109165 
109166  )
109167  e_2_1_1 = zetb*( c1*e_1_1_0 &
109168 
109169 
109170  )
109171  e_0_3_0 = zeta*( &
109172  +c2*e_0_2_0&
109173  +2*e_1_2_0 &
109174  -4*e_0_1_0)
109175  e_0_2_1 = zetb*( &
109176  +c3*e_0_2_0&
109177  +2*e_1_2_0 &
109178  )
109179  e_1_3_0 = zeta*( c1*e_0_2_0 &
109180  +c2*e_1_2_0&
109181  +4*e_2_2_0 &
109182  -4*e_1_1_0)
109183  e_1_2_1 = zetb*( c1*e_0_2_0 &
109184  +c3*e_1_2_0&
109185  +4*e_2_2_0 &
109186  )
109187  e_2_3_0 = zeta*( c1*e_1_2_0 &
109188  +c2*e_2_2_0&
109189 
109190  )
109191  e_2_2_1 = zetb*( c1*e_1_2_0 &
109192  +c3*e_2_2_0&
109193 
109194  )
109195  e_3_3_0 = zeta*( c1*e_2_2_0 &
109196 
109197 
109198  )
109199  e_3_2_1 = zetb*( c1*e_2_2_0 &
109200 
109201 
109202  )
109203  e_0_4_0 = zeta*( &
109204  +c2*e_0_3_0&
109205  +2*e_1_3_0 &
109206  -6*e_0_2_0)
109207  e_0_3_1 = zetb*( &
109208  +c3*e_0_3_0&
109209  +2*e_1_3_0 &
109210  )
109211  e_1_4_0 = zeta*( c1*e_0_3_0 &
109212  +c2*e_1_3_0&
109213  +4*e_2_3_0 &
109214  -6*e_1_2_0)
109215  e_1_3_1 = zetb*( c1*e_0_3_0 &
109216  +c3*e_1_3_0&
109217  +4*e_2_3_0 &
109218  )
109219  e_2_4_0 = zeta*( c1*e_1_3_0 &
109220  +c2*e_2_3_0&
109221  +6*e_3_3_0 &
109222  -6*e_2_2_0)
109223  e_2_3_1 = zetb*( c1*e_1_3_0 &
109224  +c3*e_2_3_0&
109225  +6*e_3_3_0 &
109226  )
109227  e_3_4_0 = zeta*( c1*e_2_3_0 &
109228  +c2*e_3_3_0&
109229 
109230  )
109231  e_3_3_1 = zetb*( c1*e_2_3_0 &
109232  +c3*e_3_3_0&
109233 
109234  )
109235  e_4_4_0 = zeta*( c1*e_3_3_0 &
109236 
109237 
109238  )
109239  e_4_3_1 = zetb*( c1*e_3_3_0 &
109240 
109241 
109242  )
109243  e_0_4_1 = zetb*( &
109244  +c3*e_0_4_0&
109245  +2*e_1_4_0 &
109246  )
109247  e_1_4_1 = zetb*( c1*e_0_4_0 &
109248  +c3*e_1_4_0&
109249  +4*e_2_4_0 &
109250  )
109251  e_2_4_1 = zetb*( c1*e_1_4_0 &
109252  +c3*e_2_4_0&
109253  +6*e_3_4_0 &
109254  )
109255  e_3_4_1 = zetb*( c1*e_2_4_0 &
109256  +c3*e_3_4_0&
109257  +8*e_4_4_0 &
109258  )
109259  e_4_4_1 = zetb*( c1*e_3_4_0 &
109260  +c3*e_4_4_0&
109261 
109262  )
109263  e_5_4_1 = zetb*( c1*e_4_4_0 &
109264 
109265 
109266  )
109267  e_0_1_1 = zeta*( &
109268  +c2*e_0_0_1&
109269  +2*e_1_0_1 &
109270  )
109271  e_0_0_2 = zetb*( &
109272  +c3*e_0_0_1&
109273  +2*e_1_0_1 &
109274  -2*e_0_0_0)
109275  e_1_1_1 = zeta*( c1*e_0_0_1 &
109276  +c2*e_1_0_1&
109277 
109278  )
109279  e_1_0_2 = zetb*( c1*e_0_0_1 &
109280  +c3*e_1_0_1&
109281 
109282  )
109283  e_2_1_1 = zeta*( c1*e_1_0_1 &
109284 
109285 
109286  )
109287  e_2_0_2 = zetb*( c1*e_1_0_1 &
109288 
109289 
109290  )
109291  e_0_2_1 = zeta*( &
109292  +c2*e_0_1_1&
109293  +2*e_1_1_1 &
109294  -2*e_0_0_1)
109295  e_0_1_2 = zetb*( &
109296  +c3*e_0_1_1&
109297  +2*e_1_1_1 &
109298  -2*e_0_1_0)
109299  e_1_2_1 = zeta*( c1*e_0_1_1 &
109300  +c2*e_1_1_1&
109301  +4*e_2_1_1 &
109302  -2*e_1_0_1)
109303  e_1_1_2 = zetb*( c1*e_0_1_1 &
109304  +c3*e_1_1_1&
109305  +4*e_2_1_1 &
109306  -2*e_1_1_0)
109307  e_2_2_1 = zeta*( c1*e_1_1_1 &
109308  +c2*e_2_1_1&
109309 
109310  )
109311  e_2_1_2 = zetb*( c1*e_1_1_1 &
109312  +c3*e_2_1_1&
109313 
109314  )
109315  e_3_2_1 = zeta*( c1*e_2_1_1 &
109316 
109317 
109318  )
109319  e_3_1_2 = zetb*( c1*e_2_1_1 &
109320 
109321 
109322  )
109323  e_0_3_1 = zeta*( &
109324  +c2*e_0_2_1&
109325  +2*e_1_2_1 &
109326  -4*e_0_1_1)
109327  e_0_2_2 = zetb*( &
109328  +c3*e_0_2_1&
109329  +2*e_1_2_1 &
109330  -2*e_0_2_0)
109331  e_1_3_1 = zeta*( c1*e_0_2_1 &
109332  +c2*e_1_2_1&
109333  +4*e_2_2_1 &
109334  -4*e_1_1_1)
109335  e_1_2_2 = zetb*( c1*e_0_2_1 &
109336  +c3*e_1_2_1&
109337  +4*e_2_2_1 &
109338  -2*e_1_2_0)
109339  e_2_3_1 = zeta*( c1*e_1_2_1 &
109340  +c2*e_2_2_1&
109341  +6*e_3_2_1 &
109342  -4*e_2_1_1)
109343  e_2_2_2 = zetb*( c1*e_1_2_1 &
109344  +c3*e_2_2_1&
109345  +6*e_3_2_1 &
109346  -2*e_2_2_0)
109347  e_3_3_1 = zeta*( c1*e_2_2_1 &
109348  +c2*e_3_2_1&
109349 
109350  )
109351  e_3_2_2 = zetb*( c1*e_2_2_1 &
109352  +c3*e_3_2_1&
109353 
109354  )
109355  e_4_3_1 = zeta*( c1*e_3_2_1 &
109356 
109357 
109358  )
109359  e_4_2_2 = zetb*( c1*e_3_2_1 &
109360 
109361 
109362  )
109363  e_0_4_1 = zeta*( &
109364  +c2*e_0_3_1&
109365  +2*e_1_3_1 &
109366  -6*e_0_2_1)
109367  e_0_3_2 = zetb*( &
109368  +c3*e_0_3_1&
109369  +2*e_1_3_1 &
109370  -2*e_0_3_0)
109371  e_1_4_1 = zeta*( c1*e_0_3_1 &
109372  +c2*e_1_3_1&
109373  +4*e_2_3_1 &
109374  -6*e_1_2_1)
109375  e_1_3_2 = zetb*( c1*e_0_3_1 &
109376  +c3*e_1_3_1&
109377  +4*e_2_3_1 &
109378  -2*e_1_3_0)
109379  e_2_4_1 = zeta*( c1*e_1_3_1 &
109380  +c2*e_2_3_1&
109381  +6*e_3_3_1 &
109382  -6*e_2_2_1)
109383  e_2_3_2 = zetb*( c1*e_1_3_1 &
109384  +c3*e_2_3_1&
109385  +6*e_3_3_1 &
109386  -2*e_2_3_0)
109387  e_3_4_1 = zeta*( c1*e_2_3_1 &
109388  +c2*e_3_3_1&
109389  +8*e_4_3_1 &
109390  -6*e_3_2_1)
109391  e_3_3_2 = zetb*( c1*e_2_3_1 &
109392  +c3*e_3_3_1&
109393  +8*e_4_3_1 &
109394  -2*e_3_3_0)
109395  e_4_4_1 = zeta*( c1*e_3_3_1 &
109396  +c2*e_4_3_1&
109397 
109398  )
109399  e_4_3_2 = zetb*( c1*e_3_3_1 &
109400  +c3*e_4_3_1&
109401 
109402  )
109403  e_5_4_1 = zeta*( c1*e_4_3_1 &
109404 
109405 
109406  )
109407  e_5_3_2 = zetb*( c1*e_4_3_1 &
109408 
109409 
109410  )
109411  e_0_4_2 = zetb*( &
109412  +c3*e_0_4_1&
109413  +2*e_1_4_1 &
109414  -2*e_0_4_0)
109415  e_1_4_2 = zetb*( c1*e_0_4_1 &
109416  +c3*e_1_4_1&
109417  +4*e_2_4_1 &
109418  -2*e_1_4_0)
109419  e_2_4_2 = zetb*( c1*e_1_4_1 &
109420  +c3*e_2_4_1&
109421  +6*e_3_4_1 &
109422  -2*e_2_4_0)
109423  e_3_4_2 = zetb*( c1*e_2_4_1 &
109424  +c3*e_3_4_1&
109425  +8*e_4_4_1 &
109426  -2*e_3_4_0)
109427  e_4_4_2 = zetb*( c1*e_3_4_1 &
109428  +c3*e_4_4_1&
109429  +10*e_5_4_1 &
109430  -2*e_4_4_0)
109431  e_5_4_2 = zetb*( c1*e_4_4_1 &
109432  +c3*e_5_4_1&
109433 
109434  )
109435  e_6_4_2 = zetb*( c1*e_5_4_1 &
109436 
109437 
109438  )
109439  e_0_1_2 = zeta*( &
109440  +c2*e_0_0_2&
109441  +2*e_1_0_2 &
109442  )
109443  e_0_0_3 = zetb*( &
109444  +c3*e_0_0_2&
109445  +2*e_1_0_2 &
109446  -4*e_0_0_1)
109447  e_1_1_2 = zeta*( c1*e_0_0_2 &
109448  +c2*e_1_0_2&
109449  +4*e_2_0_2 &
109450  )
109451  e_1_0_3 = zetb*( c1*e_0_0_2 &
109452  +c3*e_1_0_2&
109453  +4*e_2_0_2 &
109454  -4*e_1_0_1)
109455  e_2_1_2 = zeta*( c1*e_1_0_2 &
109456  +c2*e_2_0_2&
109457 
109458  )
109459  e_2_0_3 = zetb*( c1*e_1_0_2 &
109460  +c3*e_2_0_2&
109461 
109462  )
109463  e_3_1_2 = zeta*( c1*e_2_0_2 &
109464 
109465 
109466  )
109467  e_3_0_3 = zetb*( c1*e_2_0_2 &
109468 
109469 
109470  )
109471  e_0_2_2 = zeta*( &
109472  +c2*e_0_1_2&
109473  +2*e_1_1_2 &
109474  -2*e_0_0_2)
109475  e_0_1_3 = zetb*( &
109476  +c3*e_0_1_2&
109477  +2*e_1_1_2 &
109478  -4*e_0_1_1)
109479  e_1_2_2 = zeta*( c1*e_0_1_2 &
109480  +c2*e_1_1_2&
109481  +4*e_2_1_2 &
109482  -2*e_1_0_2)
109483  e_1_1_3 = zetb*( c1*e_0_1_2 &
109484  +c3*e_1_1_2&
109485  +4*e_2_1_2 &
109486  -4*e_1_1_1)
109487  e_2_2_2 = zeta*( c1*e_1_1_2 &
109488  +c2*e_2_1_2&
109489  +6*e_3_1_2 &
109490  -2*e_2_0_2)
109491  e_2_1_3 = zetb*( c1*e_1_1_2 &
109492  +c3*e_2_1_2&
109493  +6*e_3_1_2 &
109494  -4*e_2_1_1)
109495  e_3_2_2 = zeta*( c1*e_2_1_2 &
109496  +c2*e_3_1_2&
109497 
109498  )
109499  e_3_1_3 = zetb*( c1*e_2_1_2 &
109500  +c3*e_3_1_2&
109501 
109502  )
109503  e_4_2_2 = zeta*( c1*e_3_1_2 &
109504 
109505 
109506  )
109507  e_4_1_3 = zetb*( c1*e_3_1_2 &
109508 
109509 
109510  )
109511  e_0_3_2 = zeta*( &
109512  +c2*e_0_2_2&
109513  +2*e_1_2_2 &
109514  -4*e_0_1_2)
109515  e_0_2_3 = zetb*( &
109516  +c3*e_0_2_2&
109517  +2*e_1_2_2 &
109518  -4*e_0_2_1)
109519  e_1_3_2 = zeta*( c1*e_0_2_2 &
109520  +c2*e_1_2_2&
109521  +4*e_2_2_2 &
109522  -4*e_1_1_2)
109523  e_1_2_3 = zetb*( c1*e_0_2_2 &
109524  +c3*e_1_2_2&
109525  +4*e_2_2_2 &
109526  -4*e_1_2_1)
109527  e_2_3_2 = zeta*( c1*e_1_2_2 &
109528  +c2*e_2_2_2&
109529  +6*e_3_2_2 &
109530  -4*e_2_1_2)
109531  e_2_2_3 = zetb*( c1*e_1_2_2 &
109532  +c3*e_2_2_2&
109533  +6*e_3_2_2 &
109534  -4*e_2_2_1)
109535  e_3_3_2 = zeta*( c1*e_2_2_2 &
109536  +c2*e_3_2_2&
109537  +8*e_4_2_2 &
109538  -4*e_3_1_2)
109539  e_3_2_3 = zetb*( c1*e_2_2_2 &
109540  +c3*e_3_2_2&
109541  +8*e_4_2_2 &
109542  -4*e_3_2_1)
109543  e_4_3_2 = zeta*( c1*e_3_2_2 &
109544  +c2*e_4_2_2&
109545 
109546  )
109547  e_4_2_3 = zetb*( c1*e_3_2_2 &
109548  +c3*e_4_2_2&
109549 
109550  )
109551  e_5_3_2 = zeta*( c1*e_4_2_2 &
109552 
109553 
109554  )
109555  e_5_2_3 = zetb*( c1*e_4_2_2 &
109556 
109557 
109558  )
109559  e_0_4_2 = zeta*( &
109560  +c2*e_0_3_2&
109561  +2*e_1_3_2 &
109562  -6*e_0_2_2)
109563  e_0_3_3 = zetb*( &
109564  +c3*e_0_3_2&
109565  +2*e_1_3_2 &
109566  -4*e_0_3_1)
109567  e_1_4_2 = zeta*( c1*e_0_3_2 &
109568  +c2*e_1_3_2&
109569  +4*e_2_3_2 &
109570  -6*e_1_2_2)
109571  e_1_3_3 = zetb*( c1*e_0_3_2 &
109572  +c3*e_1_3_2&
109573  +4*e_2_3_2 &
109574  -4*e_1_3_1)
109575  e_2_4_2 = zeta*( c1*e_1_3_2 &
109576  +c2*e_2_3_2&
109577  +6*e_3_3_2 &
109578  -6*e_2_2_2)
109579  e_2_3_3 = zetb*( c1*e_1_3_2 &
109580  +c3*e_2_3_2&
109581  +6*e_3_3_2 &
109582  -4*e_2_3_1)
109583  e_3_4_2 = zeta*( c1*e_2_3_2 &
109584  +c2*e_3_3_2&
109585  +8*e_4_3_2 &
109586  -6*e_3_2_2)
109587  e_3_3_3 = zetb*( c1*e_2_3_2 &
109588  +c3*e_3_3_2&
109589  +8*e_4_3_2 &
109590  -4*e_3_3_1)
109591  e_4_4_2 = zeta*( c1*e_3_3_2 &
109592  +c2*e_4_3_2&
109593  +10*e_5_3_2 &
109594  -6*e_4_2_2)
109595  e_4_3_3 = zetb*( c1*e_3_3_2 &
109596  +c3*e_4_3_2&
109597  +10*e_5_3_2 &
109598  -4*e_4_3_1)
109599  e_5_4_2 = zeta*( c1*e_4_3_2 &
109600  +c2*e_5_3_2&
109601 
109602  )
109603  e_5_3_3 = zetb*( c1*e_4_3_2 &
109604  +c3*e_5_3_2&
109605 
109606  )
109607  e_6_4_2 = zeta*( c1*e_5_3_2 &
109608 
109609 
109610  )
109611  e_6_3_3 = zetb*( c1*e_5_3_2 &
109612 
109613 
109614  )
109615  e_0_4_3 = zetb*( &
109616  +c3*e_0_4_2&
109617  +2*e_1_4_2 &
109618  -4*e_0_4_1)
109619  e_1_4_3 = zetb*( c1*e_0_4_2 &
109620  +c3*e_1_4_2&
109621  +4*e_2_4_2 &
109622  -4*e_1_4_1)
109623  e_2_4_3 = zetb*( c1*e_1_4_2 &
109624  +c3*e_2_4_2&
109625  +6*e_3_4_2 &
109626  -4*e_2_4_1)
109627  e_3_4_3 = zetb*( c1*e_2_4_2 &
109628  +c3*e_3_4_2&
109629  +8*e_4_4_2 &
109630  -4*e_3_4_1)
109631  e_4_4_3 = zetb*( c1*e_3_4_2 &
109632  +c3*e_4_4_2&
109633  +10*e_5_4_2 &
109634  -4*e_4_4_1)
109635  e_5_4_3 = zetb*( c1*e_4_4_2 &
109636  +c3*e_5_4_2&
109637  +12*e_6_4_2 &
109638  -4*e_5_4_1)
109639  e_6_4_3 = zetb*( c1*e_5_4_2 &
109640  +c3*e_6_4_2&
109641 
109642  )
109643  e_7_4_3 = zetb*( c1*e_6_4_2 &
109644 
109645 
109646  )
109647  e_0_1_3 = zeta*( &
109648  +c2*e_0_0_3&
109649  +2*e_1_0_3 &
109650  )
109651  e_1_1_3 = zeta*( c1*e_0_0_3 &
109652  +c2*e_1_0_3&
109653  +4*e_2_0_3 &
109654  )
109655  e_2_1_3 = zeta*( c1*e_1_0_3 &
109656  +c2*e_2_0_3&
109657  +6*e_3_0_3 &
109658  )
109659  e_3_1_3 = zeta*( c1*e_2_0_3 &
109660  +c2*e_3_0_3&
109661 
109662  )
109663  e_4_1_3 = zeta*( c1*e_3_0_3 &
109664 
109665 
109666  )
109667  e_0_2_3 = zeta*( &
109668  +c2*e_0_1_3&
109669  +2*e_1_1_3 &
109670  -2*e_0_0_3)
109671  e_1_2_3 = zeta*( c1*e_0_1_3 &
109672  +c2*e_1_1_3&
109673  +4*e_2_1_3 &
109674  -2*e_1_0_3)
109675  e_2_2_3 = zeta*( c1*e_1_1_3 &
109676  +c2*e_2_1_3&
109677  +6*e_3_1_3 &
109678  -2*e_2_0_3)
109679  e_3_2_3 = zeta*( c1*e_2_1_3 &
109680  +c2*e_3_1_3&
109681  +8*e_4_1_3 &
109682  -2*e_3_0_3)
109683  e_4_2_3 = zeta*( c1*e_3_1_3 &
109684  +c2*e_4_1_3&
109685 
109686  )
109687  e_5_2_3 = zeta*( c1*e_4_1_3 &
109688 
109689 
109690  )
109691  e_0_3_3 = zeta*( &
109692  +c2*e_0_2_3&
109693  +2*e_1_2_3 &
109694  -4*e_0_1_3)
109695  e_1_3_3 = zeta*( c1*e_0_2_3 &
109696  +c2*e_1_2_3&
109697  +4*e_2_2_3 &
109698  -4*e_1_1_3)
109699  e_2_3_3 = zeta*( c1*e_1_2_3 &
109700  +c2*e_2_2_3&
109701  +6*e_3_2_3 &
109702  -4*e_2_1_3)
109703  e_3_3_3 = zeta*( c1*e_2_2_3 &
109704  +c2*e_3_2_3&
109705  +8*e_4_2_3 &
109706  -4*e_3_1_3)
109707  e_4_3_3 = zeta*( c1*e_3_2_3 &
109708  +c2*e_4_2_3&
109709  +10*e_5_2_3 &
109710  -4*e_4_1_3)
109711  e_5_3_3 = zeta*( c1*e_4_2_3 &
109712  +c2*e_5_2_3&
109713 
109714  )
109715  e_6_3_3 = zeta*( c1*e_5_2_3 &
109716 
109717 
109718  )
109719  e_0_4_3 = zeta*( &
109720  +c2*e_0_3_3&
109721  +2*e_1_3_3 &
109722  -6*e_0_2_3)
109723  e_1_4_3 = zeta*( c1*e_0_3_3 &
109724  +c2*e_1_3_3&
109725  +4*e_2_3_3 &
109726  -6*e_1_2_3)
109727  e_2_4_3 = zeta*( c1*e_1_3_3 &
109728  +c2*e_2_3_3&
109729  +6*e_3_3_3 &
109730  -6*e_2_2_3)
109731  e_3_4_3 = zeta*( c1*e_2_3_3 &
109732  +c2*e_3_3_3&
109733  +8*e_4_3_3 &
109734  -6*e_3_2_3)
109735  e_4_4_3 = zeta*( c1*e_3_3_3 &
109736  +c2*e_4_3_3&
109737  +10*e_5_3_3 &
109738  -6*e_4_2_3)
109739  e_5_4_3 = zeta*( c1*e_4_3_3 &
109740  +c2*e_5_3_3&
109741  +12*e_6_3_3 &
109742  -6*e_5_2_3)
109743  e_6_4_3 = zeta*( c1*e_5_3_3 &
109744  +c2*e_6_3_3&
109745 
109746  )
109747  e_7_4_3 = zeta*( c1*e_6_3_3 &
109748 
109749 
109750  )
109751 
109752  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
109753  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
109754  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
109755  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
109756  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
109757  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
109758  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
109759  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
109760  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
109761  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
109762  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
109763  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
109764  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
109765  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
109766  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
109767  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
109768  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
109769  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
109770  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
109771  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
109772  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
109773  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
109774  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
109775  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
109776  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
109777  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
109778  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
109779  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
109780  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
109781  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
109782  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
109783  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
109784  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
109785  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
109786  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
109787  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
109788  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
109789  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
109790  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
109791  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
109792  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
109793  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
109794  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
109795  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
109796  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
109797  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
109798  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
109799  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
109800  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
109801  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
109802  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
109803  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
109804  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
109805  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
109806  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
109807  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
109808  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
109809  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
109810  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
109811  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
109812  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
109813  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
109814  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
109815  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
109816  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
109817  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
109818  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
109819  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
109820  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
109821  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
109822  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
109823  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
109824  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
109825  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
109826  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
109827  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
109828  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
109829  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
109830  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
109831  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
109832  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
109833  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
109834  s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
109835  s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
109836  s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
109837  s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
109838  s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
109839  s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
109840  s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
109841  s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
109842  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
109843  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
109844  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
109845  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
109846  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
109847  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
109848  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
109849  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
109850  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
109851  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
109852  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
109853  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
109854  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
109855  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
109856  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
109857  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
109858  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
109859  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
109860  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
109861  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
109862  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
109863  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
109864  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
109865  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
109866  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
109867  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
109868  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
109869  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
109870  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
109871  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
109872  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
109873  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
109874  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
109875  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
109876  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
109877  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
109878  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
109879  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
109880  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
109881  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
109882  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
109883  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
109884  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
109885  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
109886  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
109887  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
109888  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
109889  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
109890  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
109891  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
109892  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
109893  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
109894  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
109895  s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
109896  s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
109897  s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
109898  s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
109899  s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
109900  s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
109901  s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
109902  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
109903  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
109904  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
109905  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
109906  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
109907  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
109908  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
109909  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
109910  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
109911  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
109912  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
109913  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
109914  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
109915  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
109916  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
109917  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
109918  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
109919  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
109920  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
109921  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
109922  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
109923  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
109924  s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
109925  s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
109926  s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
109927  s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
109928  s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
109929  s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
109930  s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
109931  s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
109932  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
109933  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
109934  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
109935  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
109936  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
109937  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
109938  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
109939  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
109940  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
109941  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
109942  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
109943  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
109944  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
109945  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
109946  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
109947  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
109948  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
109949  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
109950  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
109951  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
109952  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
109953  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
109954  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
109955  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
109956  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
109957  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
109958  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
109959  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
109960  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
109961  s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
109962  s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
109963  s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
109964  s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
109965  s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
109966  s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
109967  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
109968  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
109969  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
109970  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
109971  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
109972  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
109973  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
109974  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
109975  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
109976  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
109977  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
109978  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
109979  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
109980  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
109981  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
109982  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
109983  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
109984  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
109985  s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
109986  s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
109987  s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
109988  s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
109989  s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
109990  s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
109991  s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
109992  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
109993  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
109994  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
109995  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
109996  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
109997  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
109998  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
109999  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
110000  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
110001  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
110002  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
110003  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
110004  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
110005  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
110006  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
110007  s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
110008  s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
110009  s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
110010  s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
110011  s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
110012  s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
110013  s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
110014  s_r(4, 3, 2) = s_r(4, 3, 2) + e_0_4_3*(1)*s_r_t2_2 ! cost: 5 flops
110015  s_r(4, 3, 2) = s_r(4, 3, 2) + e_1_4_3*(1)*s_r_t2_3 ! cost: 5 flops
110016  s_r(4, 3, 2) = s_r(4, 3, 2) + e_2_4_3*(1)*s_r_t2_4 ! cost: 5 flops
110017  s_r(4, 3, 2) = s_r(4, 3, 2) + e_3_4_3*(1)*s_r_t2_5 ! cost: 5 flops
110018  s_r(4, 3, 2) = s_r(4, 3, 2) + e_4_4_3*(1)*s_r_t2_6 ! cost: 5 flops
110019  s_r(4, 3, 2) = s_r(4, 3, 2) + e_5_4_3*(1)*s_r_t2_7 ! cost: 5 flops
110020  s_r(4, 3, 2) = s_r(4, 3, 2) + e_6_4_3*(1)*s_r_t2_8 ! cost: 5 flops
110021  s_r(4, 3, 2) = s_r(4, 3, 2) + e_7_4_3*(1)*s_r_t2_9 ! cost: 5 flops
110022  r1 = r1 + dr
110023  END DO
110024 
110025  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
110026  END SUBROUTINE
110027  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_3_3_exp_1 ( &
110028  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
110029  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
110030  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
110031  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
110032  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
110033  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
110034  r_pow_t, r_tmp, rr1_delta, rr2_delta
110035 
110036  REAL(kind=dp) :: c1, c2, c3
110037  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
110038  & s_r_t_10
110039  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
110040  & s_r_t2_9, s_r_t2_10
110041  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
110042  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
110043  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
110044  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
110045  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
110046  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
110047  & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10
110048  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
110049  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
110050  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
110051  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
110052  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
110053  & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
110054  & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3
110055 
110056  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
110057 
110058  dr = lgth
110059  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
110060 
110061  s_r(:, :, :) = 0.0_dp
110062 
110063  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
110064 
110065  h_to_c_0_0 = sqrt(alpha/pi)
110066 
110067  h_to_c_0_1 = 0.0_dp
110068  h_to_c_1_1 = +2*alpha*h_to_c_0_0
110069  h_to_c_0_2 = -1*h_to_c_1_1
110070  h_to_c_1_2 = +2*alpha*h_to_c_0_1
110071  h_to_c_2_2 = +2*alpha*h_to_c_1_1
110072  h_to_c_0_3 = -1*h_to_c_1_2
110073  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
110074  h_to_c_2_3 = +2*alpha*h_to_c_1_2
110075  h_to_c_3_3 = +2*alpha*h_to_c_2_2
110076  h_to_c_0_4 = -1*h_to_c_1_3
110077  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
110078  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
110079  h_to_c_3_4 = +2*alpha*h_to_c_2_3
110080  h_to_c_4_4 = +2*alpha*h_to_c_3_3
110081  h_to_c_0_5 = -1*h_to_c_1_4
110082  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
110083  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
110084  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
110085  h_to_c_4_5 = +2*alpha*h_to_c_3_4
110086  h_to_c_5_5 = +2*alpha*h_to_c_4_4
110087  h_to_c_0_6 = -1*h_to_c_1_5
110088  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
110089  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
110090  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
110091  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
110092  h_to_c_5_6 = +2*alpha*h_to_c_4_5
110093  h_to_c_6_6 = +2*alpha*h_to_c_5_5
110094  h_to_c_0_7 = -1*h_to_c_1_6
110095  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
110096  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
110097  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
110098  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
110099  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
110100  h_to_c_6_7 = +2*alpha*h_to_c_5_6
110101  h_to_c_7_7 = +2*alpha*h_to_c_6_6
110102  h_to_c_0_8 = -1*h_to_c_1_7
110103  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
110104  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
110105  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
110106  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
110107  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
110108  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
110109  h_to_c_7_8 = +2*alpha*h_to_c_6_7
110110  h_to_c_8_8 = +2*alpha*h_to_c_7_7
110111  h_to_c_0_9 = -1*h_to_c_1_8
110112  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
110113  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
110114  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
110115  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
110116  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
110117  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
110118  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
110119  h_to_c_8_9 = +2*alpha*h_to_c_7_8
110120  h_to_c_9_9 = +2*alpha*h_to_c_8_8
110121  h_to_c_0_10 = -1*h_to_c_1_9
110122  h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
110123  h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
110124  h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
110125  h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
110126  h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
110127  h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
110128  h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
110129  h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
110130  h_to_c_9_10 = +2*alpha*h_to_c_8_9
110131  h_to_c_10_10 = +2*alpha*h_to_c_9_9
110132 
110133  exp_drsq = exp(-alpha*dr*dr)
110134  exp_2drsq = exp_drsq*exp_drsq
110135 
110136  rr1_delta = (ra - rb)/dr
110137 
110138  rr1_l = ceiling(-r_c(1) + rr1_delta)
110139  rr1_r = floor(r_c(1) + rr1_delta)
110140 
110141  r1 = rr1_l*dr
110142 
110143  alpha_e = zeta*zetb/(zeta + zetb)
110144 
110145  DO rr1 = rr1_l, rr1_r
110146  s_r_t_0 = 0.0_dp
110147  s_r_t2_0 = 0.0_dp
110148  s_r_t_1 = 0.0_dp
110149  s_r_t2_1 = 0.0_dp
110150  s_r_t_2 = 0.0_dp
110151  s_r_t2_2 = 0.0_dp
110152  s_r_t_3 = 0.0_dp
110153  s_r_t2_3 = 0.0_dp
110154  s_r_t_4 = 0.0_dp
110155  s_r_t2_4 = 0.0_dp
110156  s_r_t_5 = 0.0_dp
110157  s_r_t2_5 = 0.0_dp
110158  s_r_t_6 = 0.0_dp
110159  s_r_t2_6 = 0.0_dp
110160  s_r_t_7 = 0.0_dp
110161  s_r_t2_7 = 0.0_dp
110162  s_r_t_8 = 0.0_dp
110163  s_r_t2_8 = 0.0_dp
110164  s_r_t_9 = 0.0_dp
110165  s_r_t2_9 = 0.0_dp
110166  s_r_t_10 = 0.0_dp
110167  s_r_t2_10 = 0.0_dp
110168  r_tmp = r_offset + r1*zeta/(zeta + zetb)
110169  rr2_delta = -r_tmp/dr
110170 
110171  rr2_l = ceiling(-r_c(2) + rr2_delta)
110172  rr2_r = floor(r_c(2) + rr2_delta)
110173 
110174  r = r_tmp + (rr2_l)*dr
110175 
110176  exp2_2rdr = exp(-2*alpha*r*dr)
110177  exp2_rsq = exp(-alpha*r*r)
110178 
110179  DO rr2 = rr2_l, rr2_r
110180  r_pow_t = 1.0_dp
110181  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
110182  r_pow_t = r_pow_t*r
110183  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
110184  r_pow_t = r_pow_t*r
110185  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
110186  r_pow_t = r_pow_t*r
110187  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
110188  r_pow_t = r_pow_t*r
110189  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
110190  r_pow_t = r_pow_t*r
110191  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
110192  r_pow_t = r_pow_t*r
110193  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
110194  r_pow_t = r_pow_t*r
110195  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
110196  r_pow_t = r_pow_t*r
110197  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
110198  r_pow_t = r_pow_t*r
110199  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
110200  r_pow_t = r_pow_t*r
110201  s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
110202 
110203  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
110204  exp2_2rdr = exp2_2rdr*exp_2drsq
110205  r = r + dr
110206  END DO
110207 
110208  ! C --> H
110209  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
110210  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
110211  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
110212  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
110213  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
110214  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
110215  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
110216  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
110217  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
110218  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
110219  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
110220  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
110221  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
110222  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
110223  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
110224  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
110225  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
110226  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
110227  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
110228  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
110229  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
110230  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
110231  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
110232  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
110233  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
110234  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
110235  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
110236  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
110237  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
110238  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
110239  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
110240  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
110241  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
110242  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
110243  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
110244  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
110245  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
110246  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
110247  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
110248  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
110249  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
110250  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
110251  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
110252  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
110253  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
110254  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
110255  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
110256  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
110257  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
110258  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
110259  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
110260  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
110261  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
110262  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
110263  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
110264  s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
110265  s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
110266  s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
110267  s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
110268  s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
110269  s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
110270  s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
110271  s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
110272  s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
110273  s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
110274  s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
110275 
110276  ! H --> HH
110277  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
110278 
110279  c1 = 1.0_dp/(zeta + zetb)
110280  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
110281  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
110282 
110283  e_0_1_0 = zeta*( &
110284  +c2*e_0_0_0&
110285 
110286  )
110287  e_0_0_1 = zetb*( &
110288  +c3*e_0_0_0&
110289 
110290  )
110291  e_1_1_0 = zeta*( c1*e_0_0_0 &
110292 
110293 
110294  )
110295  e_1_0_1 = zetb*( c1*e_0_0_0 &
110296 
110297 
110298  )
110299  e_0_2_0 = zeta*( &
110300  +c2*e_0_1_0&
110301  +2*e_1_1_0 &
110302  -2*e_0_0_0)
110303  e_0_1_1 = zetb*( &
110304  +c3*e_0_1_0&
110305  +2*e_1_1_0 &
110306  )
110307  e_1_2_0 = zeta*( c1*e_0_1_0 &
110308  +c2*e_1_1_0&
110309 
110310  )
110311  e_1_1_1 = zetb*( c1*e_0_1_0 &
110312  +c3*e_1_1_0&
110313 
110314  )
110315  e_2_2_0 = zeta*( c1*e_1_1_0 &
110316 
110317 
110318  )
110319  e_2_1_1 = zetb*( c1*e_1_1_0 &
110320 
110321 
110322  )
110323  e_0_3_0 = zeta*( &
110324  +c2*e_0_2_0&
110325  +2*e_1_2_0 &
110326  -4*e_0_1_0)
110327  e_0_2_1 = zetb*( &
110328  +c3*e_0_2_0&
110329  +2*e_1_2_0 &
110330  )
110331  e_1_3_0 = zeta*( c1*e_0_2_0 &
110332  +c2*e_1_2_0&
110333  +4*e_2_2_0 &
110334  -4*e_1_1_0)
110335  e_1_2_1 = zetb*( c1*e_0_2_0 &
110336  +c3*e_1_2_0&
110337  +4*e_2_2_0 &
110338  )
110339  e_2_3_0 = zeta*( c1*e_1_2_0 &
110340  +c2*e_2_2_0&
110341 
110342  )
110343  e_2_2_1 = zetb*( c1*e_1_2_0 &
110344  +c3*e_2_2_0&
110345 
110346  )
110347  e_3_3_0 = zeta*( c1*e_2_2_0 &
110348 
110349 
110350  )
110351  e_3_2_1 = zetb*( c1*e_2_2_0 &
110352 
110353 
110354  )
110355  e_0_4_0 = zeta*( &
110356  +c2*e_0_3_0&
110357  +2*e_1_3_0 &
110358  -6*e_0_2_0)
110359  e_0_3_1 = zetb*( &
110360  +c3*e_0_3_0&
110361  +2*e_1_3_0 &
110362  )
110363  e_1_4_0 = zeta*( c1*e_0_3_0 &
110364  +c2*e_1_3_0&
110365  +4*e_2_3_0 &
110366  -6*e_1_2_0)
110367  e_1_3_1 = zetb*( c1*e_0_3_0 &
110368  +c3*e_1_3_0&
110369  +4*e_2_3_0 &
110370  )
110371  e_2_4_0 = zeta*( c1*e_1_3_0 &
110372  +c2*e_2_3_0&
110373  +6*e_3_3_0 &
110374  -6*e_2_2_0)
110375  e_2_3_1 = zetb*( c1*e_1_3_0 &
110376  +c3*e_2_3_0&
110377  +6*e_3_3_0 &
110378  )
110379  e_3_4_0 = zeta*( c1*e_2_3_0 &
110380  +c2*e_3_3_0&
110381 
110382  )
110383  e_3_3_1 = zetb*( c1*e_2_3_0 &
110384  +c3*e_3_3_0&
110385 
110386  )
110387  e_4_4_0 = zeta*( c1*e_3_3_0 &
110388 
110389 
110390  )
110391  e_4_3_1 = zetb*( c1*e_3_3_0 &
110392 
110393 
110394  )
110395  e_0_4_1 = zetb*( &
110396  +c3*e_0_4_0&
110397  +2*e_1_4_0 &
110398  )
110399  e_1_4_1 = zetb*( c1*e_0_4_0 &
110400  +c3*e_1_4_0&
110401  +4*e_2_4_0 &
110402  )
110403  e_2_4_1 = zetb*( c1*e_1_4_0 &
110404  +c3*e_2_4_0&
110405  +6*e_3_4_0 &
110406  )
110407  e_3_4_1 = zetb*( c1*e_2_4_0 &
110408  +c3*e_3_4_0&
110409  +8*e_4_4_0 &
110410  )
110411  e_4_4_1 = zetb*( c1*e_3_4_0 &
110412  +c3*e_4_4_0&
110413 
110414  )
110415  e_5_4_1 = zetb*( c1*e_4_4_0 &
110416 
110417 
110418  )
110419  e_0_1_1 = zeta*( &
110420  +c2*e_0_0_1&
110421  +2*e_1_0_1 &
110422  )
110423  e_0_0_2 = zetb*( &
110424  +c3*e_0_0_1&
110425  +2*e_1_0_1 &
110426  -2*e_0_0_0)
110427  e_1_1_1 = zeta*( c1*e_0_0_1 &
110428  +c2*e_1_0_1&
110429 
110430  )
110431  e_1_0_2 = zetb*( c1*e_0_0_1 &
110432  +c3*e_1_0_1&
110433 
110434  )
110435  e_2_1_1 = zeta*( c1*e_1_0_1 &
110436 
110437 
110438  )
110439  e_2_0_2 = zetb*( c1*e_1_0_1 &
110440 
110441 
110442  )
110443  e_0_2_1 = zeta*( &
110444  +c2*e_0_1_1&
110445  +2*e_1_1_1 &
110446  -2*e_0_0_1)
110447  e_0_1_2 = zetb*( &
110448  +c3*e_0_1_1&
110449  +2*e_1_1_1 &
110450  -2*e_0_1_0)
110451  e_1_2_1 = zeta*( c1*e_0_1_1 &
110452  +c2*e_1_1_1&
110453  +4*e_2_1_1 &
110454  -2*e_1_0_1)
110455  e_1_1_2 = zetb*( c1*e_0_1_1 &
110456  +c3*e_1_1_1&
110457  +4*e_2_1_1 &
110458  -2*e_1_1_0)
110459  e_2_2_1 = zeta*( c1*e_1_1_1 &
110460  +c2*e_2_1_1&
110461 
110462  )
110463  e_2_1_2 = zetb*( c1*e_1_1_1 &
110464  +c3*e_2_1_1&
110465 
110466  )
110467  e_3_2_1 = zeta*( c1*e_2_1_1 &
110468 
110469 
110470  )
110471  e_3_1_2 = zetb*( c1*e_2_1_1 &
110472 
110473 
110474  )
110475  e_0_3_1 = zeta*( &
110476  +c2*e_0_2_1&
110477  +2*e_1_2_1 &
110478  -4*e_0_1_1)
110479  e_0_2_2 = zetb*( &
110480  +c3*e_0_2_1&
110481  +2*e_1_2_1 &
110482  -2*e_0_2_0)
110483  e_1_3_1 = zeta*( c1*e_0_2_1 &
110484  +c2*e_1_2_1&
110485  +4*e_2_2_1 &
110486  -4*e_1_1_1)
110487  e_1_2_2 = zetb*( c1*e_0_2_1 &
110488  +c3*e_1_2_1&
110489  +4*e_2_2_1 &
110490  -2*e_1_2_0)
110491  e_2_3_1 = zeta*( c1*e_1_2_1 &
110492  +c2*e_2_2_1&
110493  +6*e_3_2_1 &
110494  -4*e_2_1_1)
110495  e_2_2_2 = zetb*( c1*e_1_2_1 &
110496  +c3*e_2_2_1&
110497  +6*e_3_2_1 &
110498  -2*e_2_2_0)
110499  e_3_3_1 = zeta*( c1*e_2_2_1 &
110500  +c2*e_3_2_1&
110501 
110502  )
110503  e_3_2_2 = zetb*( c1*e_2_2_1 &
110504  +c3*e_3_2_1&
110505 
110506  )
110507  e_4_3_1 = zeta*( c1*e_3_2_1 &
110508 
110509 
110510  )
110511  e_4_2_2 = zetb*( c1*e_3_2_1 &
110512 
110513 
110514  )
110515  e_0_4_1 = zeta*( &
110516  +c2*e_0_3_1&
110517  +2*e_1_3_1 &
110518  -6*e_0_2_1)
110519  e_0_3_2 = zetb*( &
110520  +c3*e_0_3_1&
110521  +2*e_1_3_1 &
110522  -2*e_0_3_0)
110523  e_1_4_1 = zeta*( c1*e_0_3_1 &
110524  +c2*e_1_3_1&
110525  +4*e_2_3_1 &
110526  -6*e_1_2_1)
110527  e_1_3_2 = zetb*( c1*e_0_3_1 &
110528  +c3*e_1_3_1&
110529  +4*e_2_3_1 &
110530  -2*e_1_3_0)
110531  e_2_4_1 = zeta*( c1*e_1_3_1 &
110532  +c2*e_2_3_1&
110533  +6*e_3_3_1 &
110534  -6*e_2_2_1)
110535  e_2_3_2 = zetb*( c1*e_1_3_1 &
110536  +c3*e_2_3_1&
110537  +6*e_3_3_1 &
110538  -2*e_2_3_0)
110539  e_3_4_1 = zeta*( c1*e_2_3_1 &
110540  +c2*e_3_3_1&
110541  +8*e_4_3_1 &
110542  -6*e_3_2_1)
110543  e_3_3_2 = zetb*( c1*e_2_3_1 &
110544  +c3*e_3_3_1&
110545  +8*e_4_3_1 &
110546  -2*e_3_3_0)
110547  e_4_4_1 = zeta*( c1*e_3_3_1 &
110548  +c2*e_4_3_1&
110549 
110550  )
110551  e_4_3_2 = zetb*( c1*e_3_3_1 &
110552  +c3*e_4_3_1&
110553 
110554  )
110555  e_5_4_1 = zeta*( c1*e_4_3_1 &
110556 
110557 
110558  )
110559  e_5_3_2 = zetb*( c1*e_4_3_1 &
110560 
110561 
110562  )
110563  e_0_4_2 = zetb*( &
110564  +c3*e_0_4_1&
110565  +2*e_1_4_1 &
110566  -2*e_0_4_0)
110567  e_1_4_2 = zetb*( c1*e_0_4_1 &
110568  +c3*e_1_4_1&
110569  +4*e_2_4_1 &
110570  -2*e_1_4_0)
110571  e_2_4_2 = zetb*( c1*e_1_4_1 &
110572  +c3*e_2_4_1&
110573  +6*e_3_4_1 &
110574  -2*e_2_4_0)
110575  e_3_4_2 = zetb*( c1*e_2_4_1 &
110576  +c3*e_3_4_1&
110577  +8*e_4_4_1 &
110578  -2*e_3_4_0)
110579  e_4_4_2 = zetb*( c1*e_3_4_1 &
110580  +c3*e_4_4_1&
110581  +10*e_5_4_1 &
110582  -2*e_4_4_0)
110583  e_5_4_2 = zetb*( c1*e_4_4_1 &
110584  +c3*e_5_4_1&
110585 
110586  )
110587  e_6_4_2 = zetb*( c1*e_5_4_1 &
110588 
110589 
110590  )
110591  e_0_1_2 = zeta*( &
110592  +c2*e_0_0_2&
110593  +2*e_1_0_2 &
110594  )
110595  e_0_0_3 = zetb*( &
110596  +c3*e_0_0_2&
110597  +2*e_1_0_2 &
110598  -4*e_0_0_1)
110599  e_1_1_2 = zeta*( c1*e_0_0_2 &
110600  +c2*e_1_0_2&
110601  +4*e_2_0_2 &
110602  )
110603  e_1_0_3 = zetb*( c1*e_0_0_2 &
110604  +c3*e_1_0_2&
110605  +4*e_2_0_2 &
110606  -4*e_1_0_1)
110607  e_2_1_2 = zeta*( c1*e_1_0_2 &
110608  +c2*e_2_0_2&
110609 
110610  )
110611  e_2_0_3 = zetb*( c1*e_1_0_2 &
110612  +c3*e_2_0_2&
110613 
110614  )
110615  e_3_1_2 = zeta*( c1*e_2_0_2 &
110616 
110617 
110618  )
110619  e_3_0_3 = zetb*( c1*e_2_0_2 &
110620 
110621 
110622  )
110623  e_0_2_2 = zeta*( &
110624  +c2*e_0_1_2&
110625  +2*e_1_1_2 &
110626  -2*e_0_0_2)
110627  e_0_1_3 = zetb*( &
110628  +c3*e_0_1_2&
110629  +2*e_1_1_2 &
110630  -4*e_0_1_1)
110631  e_1_2_2 = zeta*( c1*e_0_1_2 &
110632  +c2*e_1_1_2&
110633  +4*e_2_1_2 &
110634  -2*e_1_0_2)
110635  e_1_1_3 = zetb*( c1*e_0_1_2 &
110636  +c3*e_1_1_2&
110637  +4*e_2_1_2 &
110638  -4*e_1_1_1)
110639  e_2_2_2 = zeta*( c1*e_1_1_2 &
110640  +c2*e_2_1_2&
110641  +6*e_3_1_2 &
110642  -2*e_2_0_2)
110643  e_2_1_3 = zetb*( c1*e_1_1_2 &
110644  +c3*e_2_1_2&
110645  +6*e_3_1_2 &
110646  -4*e_2_1_1)
110647  e_3_2_2 = zeta*( c1*e_2_1_2 &
110648  +c2*e_3_1_2&
110649 
110650  )
110651  e_3_1_3 = zetb*( c1*e_2_1_2 &
110652  +c3*e_3_1_2&
110653 
110654  )
110655  e_4_2_2 = zeta*( c1*e_3_1_2 &
110656 
110657 
110658  )
110659  e_4_1_3 = zetb*( c1*e_3_1_2 &
110660 
110661 
110662  )
110663  e_0_3_2 = zeta*( &
110664  +c2*e_0_2_2&
110665  +2*e_1_2_2 &
110666  -4*e_0_1_2)
110667  e_0_2_3 = zetb*( &
110668  +c3*e_0_2_2&
110669  +2*e_1_2_2 &
110670  -4*e_0_2_1)
110671  e_1_3_2 = zeta*( c1*e_0_2_2 &
110672  +c2*e_1_2_2&
110673  +4*e_2_2_2 &
110674  -4*e_1_1_2)
110675  e_1_2_3 = zetb*( c1*e_0_2_2 &
110676  +c3*e_1_2_2&
110677  +4*e_2_2_2 &
110678  -4*e_1_2_1)
110679  e_2_3_2 = zeta*( c1*e_1_2_2 &
110680  +c2*e_2_2_2&
110681  +6*e_3_2_2 &
110682  -4*e_2_1_2)
110683  e_2_2_3 = zetb*( c1*e_1_2_2 &
110684  +c3*e_2_2_2&
110685  +6*e_3_2_2 &
110686  -4*e_2_2_1)
110687  e_3_3_2 = zeta*( c1*e_2_2_2 &
110688  +c2*e_3_2_2&
110689  +8*e_4_2_2 &
110690  -4*e_3_1_2)
110691  e_3_2_3 = zetb*( c1*e_2_2_2 &
110692  +c3*e_3_2_2&
110693  +8*e_4_2_2 &
110694  -4*e_3_2_1)
110695  e_4_3_2 = zeta*( c1*e_3_2_2 &
110696  +c2*e_4_2_2&
110697 
110698  )
110699  e_4_2_3 = zetb*( c1*e_3_2_2 &
110700  +c3*e_4_2_2&
110701 
110702  )
110703  e_5_3_2 = zeta*( c1*e_4_2_2 &
110704 
110705 
110706  )
110707  e_5_2_3 = zetb*( c1*e_4_2_2 &
110708 
110709 
110710  )
110711  e_0_4_2 = zeta*( &
110712  +c2*e_0_3_2&
110713  +2*e_1_3_2 &
110714  -6*e_0_2_2)
110715  e_0_3_3 = zetb*( &
110716  +c3*e_0_3_2&
110717  +2*e_1_3_2 &
110718  -4*e_0_3_1)
110719  e_1_4_2 = zeta*( c1*e_0_3_2 &
110720  +c2*e_1_3_2&
110721  +4*e_2_3_2 &
110722  -6*e_1_2_2)
110723  e_1_3_3 = zetb*( c1*e_0_3_2 &
110724  +c3*e_1_3_2&
110725  +4*e_2_3_2 &
110726  -4*e_1_3_1)
110727  e_2_4_2 = zeta*( c1*e_1_3_2 &
110728  +c2*e_2_3_2&
110729  +6*e_3_3_2 &
110730  -6*e_2_2_2)
110731  e_2_3_3 = zetb*( c1*e_1_3_2 &
110732  +c3*e_2_3_2&
110733  +6*e_3_3_2 &
110734  -4*e_2_3_1)
110735  e_3_4_2 = zeta*( c1*e_2_3_2 &
110736  +c2*e_3_3_2&
110737  +8*e_4_3_2 &
110738  -6*e_3_2_2)
110739  e_3_3_3 = zetb*( c1*e_2_3_2 &
110740  +c3*e_3_3_2&
110741  +8*e_4_3_2 &
110742  -4*e_3_3_1)
110743  e_4_4_2 = zeta*( c1*e_3_3_2 &
110744  +c2*e_4_3_2&
110745  +10*e_5_3_2 &
110746  -6*e_4_2_2)
110747  e_4_3_3 = zetb*( c1*e_3_3_2 &
110748  +c3*e_4_3_2&
110749  +10*e_5_3_2 &
110750  -4*e_4_3_1)
110751  e_5_4_2 = zeta*( c1*e_4_3_2 &
110752  +c2*e_5_3_2&
110753 
110754  )
110755  e_5_3_3 = zetb*( c1*e_4_3_2 &
110756  +c3*e_5_3_2&
110757 
110758  )
110759  e_6_4_2 = zeta*( c1*e_5_3_2 &
110760 
110761 
110762  )
110763  e_6_3_3 = zetb*( c1*e_5_3_2 &
110764 
110765 
110766  )
110767  e_0_4_3 = zetb*( &
110768  +c3*e_0_4_2&
110769  +2*e_1_4_2 &
110770  -4*e_0_4_1)
110771  e_1_4_3 = zetb*( c1*e_0_4_2 &
110772  +c3*e_1_4_2&
110773  +4*e_2_4_2 &
110774  -4*e_1_4_1)
110775  e_2_4_3 = zetb*( c1*e_1_4_2 &
110776  +c3*e_2_4_2&
110777  +6*e_3_4_2 &
110778  -4*e_2_4_1)
110779  e_3_4_3 = zetb*( c1*e_2_4_2 &
110780  +c3*e_3_4_2&
110781  +8*e_4_4_2 &
110782  -4*e_3_4_1)
110783  e_4_4_3 = zetb*( c1*e_3_4_2 &
110784  +c3*e_4_4_2&
110785  +10*e_5_4_2 &
110786  -4*e_4_4_1)
110787  e_5_4_3 = zetb*( c1*e_4_4_2 &
110788  +c3*e_5_4_2&
110789  +12*e_6_4_2 &
110790  -4*e_5_4_1)
110791  e_6_4_3 = zetb*( c1*e_5_4_2 &
110792  +c3*e_6_4_2&
110793 
110794  )
110795  e_7_4_3 = zetb*( c1*e_6_4_2 &
110796 
110797 
110798  )
110799  e_0_1_3 = zeta*( &
110800  +c2*e_0_0_3&
110801  +2*e_1_0_3 &
110802  )
110803  e_1_1_3 = zeta*( c1*e_0_0_3 &
110804  +c2*e_1_0_3&
110805  +4*e_2_0_3 &
110806  )
110807  e_2_1_3 = zeta*( c1*e_1_0_3 &
110808  +c2*e_2_0_3&
110809  +6*e_3_0_3 &
110810  )
110811  e_3_1_3 = zeta*( c1*e_2_0_3 &
110812  +c2*e_3_0_3&
110813 
110814  )
110815  e_4_1_3 = zeta*( c1*e_3_0_3 &
110816 
110817 
110818  )
110819  e_0_2_3 = zeta*( &
110820  +c2*e_0_1_3&
110821  +2*e_1_1_3 &
110822  -2*e_0_0_3)
110823  e_1_2_3 = zeta*( c1*e_0_1_3 &
110824  +c2*e_1_1_3&
110825  +4*e_2_1_3 &
110826  -2*e_1_0_3)
110827  e_2_2_3 = zeta*( c1*e_1_1_3 &
110828  +c2*e_2_1_3&
110829  +6*e_3_1_3 &
110830  -2*e_2_0_3)
110831  e_3_2_3 = zeta*( c1*e_2_1_3 &
110832  +c2*e_3_1_3&
110833  +8*e_4_1_3 &
110834  -2*e_3_0_3)
110835  e_4_2_3 = zeta*( c1*e_3_1_3 &
110836  +c2*e_4_1_3&
110837 
110838  )
110839  e_5_2_3 = zeta*( c1*e_4_1_3 &
110840 
110841 
110842  )
110843  e_0_3_3 = zeta*( &
110844  +c2*e_0_2_3&
110845  +2*e_1_2_3 &
110846  -4*e_0_1_3)
110847  e_1_3_3 = zeta*( c1*e_0_2_3 &
110848  +c2*e_1_2_3&
110849  +4*e_2_2_3 &
110850  -4*e_1_1_3)
110851  e_2_3_3 = zeta*( c1*e_1_2_3 &
110852  +c2*e_2_2_3&
110853  +6*e_3_2_3 &
110854  -4*e_2_1_3)
110855  e_3_3_3 = zeta*( c1*e_2_2_3 &
110856  +c2*e_3_2_3&
110857  +8*e_4_2_3 &
110858  -4*e_3_1_3)
110859  e_4_3_3 = zeta*( c1*e_3_2_3 &
110860  +c2*e_4_2_3&
110861  +10*e_5_2_3 &
110862  -4*e_4_1_3)
110863  e_5_3_3 = zeta*( c1*e_4_2_3 &
110864  +c2*e_5_2_3&
110865 
110866  )
110867  e_6_3_3 = zeta*( c1*e_5_2_3 &
110868 
110869 
110870  )
110871  e_0_4_3 = zeta*( &
110872  +c2*e_0_3_3&
110873  +2*e_1_3_3 &
110874  -6*e_0_2_3)
110875  e_1_4_3 = zeta*( c1*e_0_3_3 &
110876  +c2*e_1_3_3&
110877  +4*e_2_3_3 &
110878  -6*e_1_2_3)
110879  e_2_4_3 = zeta*( c1*e_1_3_3 &
110880  +c2*e_2_3_3&
110881  +6*e_3_3_3 &
110882  -6*e_2_2_3)
110883  e_3_4_3 = zeta*( c1*e_2_3_3 &
110884  +c2*e_3_3_3&
110885  +8*e_4_3_3 &
110886  -6*e_3_2_3)
110887  e_4_4_3 = zeta*( c1*e_3_3_3 &
110888  +c2*e_4_3_3&
110889  +10*e_5_3_3 &
110890  -6*e_4_2_3)
110891  e_5_4_3 = zeta*( c1*e_4_3_3 &
110892  +c2*e_5_3_3&
110893  +12*e_6_3_3 &
110894  -6*e_5_2_3)
110895  e_6_4_3 = zeta*( c1*e_5_3_3 &
110896  +c2*e_6_3_3&
110897 
110898  )
110899  e_7_4_3 = zeta*( c1*e_6_3_3 &
110900 
110901 
110902  )
110903 
110904  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
110905  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
110906  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
110907  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
110908  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
110909  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
110910  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
110911  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
110912  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
110913  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
110914  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
110915  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
110916  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
110917  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
110918  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
110919  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
110920  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
110921  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
110922  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
110923  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
110924  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
110925  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
110926  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
110927  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
110928  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
110929  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
110930  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
110931  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
110932  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
110933  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
110934  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
110935  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
110936  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
110937  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
110938  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
110939  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
110940  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
110941  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
110942  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
110943  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
110944  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
110945  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
110946  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
110947  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
110948  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
110949  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
110950  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
110951  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
110952  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
110953  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
110954  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
110955  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
110956  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
110957  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
110958  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
110959  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
110960  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
110961  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
110962  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
110963  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
110964  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
110965  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
110966  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
110967  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
110968  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
110969  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
110970  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
110971  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
110972  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
110973  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
110974  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
110975  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
110976  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
110977  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
110978  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
110979  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
110980  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
110981  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
110982  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
110983  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
110984  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
110985  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
110986  s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
110987  s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
110988  s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
110989  s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
110990  s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
110991  s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
110992  s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
110993  s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
110994  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
110995  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
110996  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
110997  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
110998  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
110999  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
111000  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
111001  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
111002  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
111003  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
111004  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
111005  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
111006  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
111007  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
111008  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
111009  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
111010  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
111011  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
111012  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
111013  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
111014  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
111015  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
111016  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
111017  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
111018  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
111019  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
111020  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
111021  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
111022  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
111023  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
111024  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
111025  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
111026  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
111027  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
111028  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
111029  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
111030  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
111031  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
111032  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
111033  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
111034  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
111035  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
111036  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
111037  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
111038  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
111039  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
111040  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
111041  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
111042  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
111043  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
111044  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
111045  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
111046  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
111047  s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
111048  s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
111049  s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
111050  s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
111051  s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
111052  s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
111053  s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
111054  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
111055  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
111056  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
111057  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
111058  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
111059  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
111060  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
111061  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
111062  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
111063  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
111064  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
111065  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
111066  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
111067  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
111068  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
111069  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
111070  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
111071  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
111072  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
111073  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
111074  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
111075  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
111076  s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
111077  s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
111078  s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
111079  s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
111080  s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
111081  s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
111082  s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
111083  s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
111084  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
111085  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
111086  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
111087  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
111088  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
111089  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
111090  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
111091  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
111092  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
111093  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
111094  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
111095  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
111096  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
111097  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
111098  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
111099  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
111100  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
111101  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
111102  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
111103  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
111104  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
111105  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
111106  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
111107  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
111108  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
111109  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
111110  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
111111  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
111112  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
111113  s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
111114  s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
111115  s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
111116  s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
111117  s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
111118  s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
111119  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
111120  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
111121  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
111122  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
111123  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
111124  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
111125  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
111126  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
111127  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
111128  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
111129  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
111130  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
111131  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
111132  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
111133  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
111134  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
111135  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
111136  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
111137  s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
111138  s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
111139  s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
111140  s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
111141  s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
111142  s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
111143  s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
111144  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
111145  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
111146  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
111147  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
111148  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
111149  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
111150  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
111151  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
111152  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
111153  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
111154  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
111155  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
111156  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
111157  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
111158  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
111159  s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
111160  s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
111161  s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
111162  s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
111163  s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
111164  s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
111165  s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
111166  s_r(4, 3, 2) = s_r(4, 3, 2) + e_0_4_3*(1)*s_r_t2_2 ! cost: 5 flops
111167  s_r(4, 3, 2) = s_r(4, 3, 2) + e_1_4_3*(1)*s_r_t2_3 ! cost: 5 flops
111168  s_r(4, 3, 2) = s_r(4, 3, 2) + e_2_4_3*(1)*s_r_t2_4 ! cost: 5 flops
111169  s_r(4, 3, 2) = s_r(4, 3, 2) + e_3_4_3*(1)*s_r_t2_5 ! cost: 5 flops
111170  s_r(4, 3, 2) = s_r(4, 3, 2) + e_4_4_3*(1)*s_r_t2_6 ! cost: 5 flops
111171  s_r(4, 3, 2) = s_r(4, 3, 2) + e_5_4_3*(1)*s_r_t2_7 ! cost: 5 flops
111172  s_r(4, 3, 2) = s_r(4, 3, 2) + e_6_4_3*(1)*s_r_t2_8 ! cost: 5 flops
111173  s_r(4, 3, 2) = s_r(4, 3, 2) + e_7_4_3*(1)*s_r_t2_9 ! cost: 5 flops
111174  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
111175  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
111176  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
111177  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
111178  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
111179  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
111180  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
111181  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
111182  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
111183  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
111184  s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
111185  s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
111186  s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
111187  s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
111188  s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
111189  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
111190  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
111191  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
111192  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
111193  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
111194  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
111195  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
111196  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
111197  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
111198  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
111199  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
111200  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
111201  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
111202  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
111203  s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
111204  s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
111205  s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
111206  s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
111207  s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
111208  s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
111209  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
111210  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
111211  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
111212  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
111213  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
111214  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
111215  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
111216  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
111217  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
111218  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
111219  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
111220  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
111221  s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
111222  s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
111223  s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
111224  s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
111225  s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
111226  s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
111227  s_r(4, 2, 3) = s_r(4, 2, 3) + e_0_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
111228  s_r(4, 2, 3) = s_r(4, 2, 3) + e_1_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
111229  s_r(4, 2, 3) = s_r(4, 2, 3) + e_2_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
111230  s_r(4, 2, 3) = s_r(4, 2, 3) + e_3_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
111231  s_r(4, 2, 3) = s_r(4, 2, 3) + e_4_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
111232  s_r(4, 2, 3) = s_r(4, 2, 3) + e_5_4_2*(-1)*s_r_t2_8 ! cost: 5 flops
111233  s_r(4, 2, 3) = s_r(4, 2, 3) + e_6_4_2*(-1)*s_r_t2_9 ! cost: 5 flops
111234  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
111235  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
111236  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
111237  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
111238  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
111239  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
111240  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
111241  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
111242  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
111243  s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
111244  s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
111245  s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
111246  s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
111247  s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
111248  s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
111249  s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
111250  s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
111251  s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
111252  s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
111253  s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
111254  s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
111255  s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
111256  s_r(4, 3, 3) = s_r(4, 3, 3) + e_0_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
111257  s_r(4, 3, 3) = s_r(4, 3, 3) + e_1_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
111258  s_r(4, 3, 3) = s_r(4, 3, 3) + e_2_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
111259  s_r(4, 3, 3) = s_r(4, 3, 3) + e_3_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
111260  s_r(4, 3, 3) = s_r(4, 3, 3) + e_4_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
111261  s_r(4, 3, 3) = s_r(4, 3, 3) + e_5_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
111262  s_r(4, 3, 3) = s_r(4, 3, 3) + e_6_4_3*(-1)*s_r_t2_9 ! cost: 5 flops
111263  s_r(4, 3, 3) = s_r(4, 3, 3) + e_7_4_3*(-1)*s_r_t2_10 ! cost: 5 flops
111264  r1 = r1 + dr
111265  END DO
111266 
111267  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
111268  END SUBROUTINE
111269  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_3_4_exp_1 ( &
111270  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
111271  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
111272  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
111273  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
111274  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
111275  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
111276  r_pow_t, r_tmp, rr1_delta, rr2_delta
111277 
111278  REAL(kind=dp) :: c1, c2, c3
111279  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
111280  & s_r_t_10, s_r_t_11
111281  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
111282  & s_r_t2_9, s_r_t2_10, s_r_t2_11
111283  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
111284  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
111285  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
111286  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
111287  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
111288  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
111289  & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10, h_to_c_0_11,&
111290  & h_to_c_1_11, h_to_c_2_11, h_to_c_3_11, h_to_c_4_11, h_to_c_5_11, h_to_c_6_11, h_to_c_7_11, h_to_c_8_11, h_to_c_9_11,&
111291  & h_to_c_10_11, h_to_c_11_11
111292  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
111293  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
111294  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
111295  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
111296  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
111297  & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
111298  & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3
111299 
111300  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
111301 
111302  dr = lgth
111303  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
111304 
111305  s_r(:, :, :) = 0.0_dp
111306 
111307  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
111308 
111309  h_to_c_0_0 = sqrt(alpha/pi)
111310 
111311  h_to_c_0_1 = 0.0_dp
111312  h_to_c_1_1 = +2*alpha*h_to_c_0_0
111313  h_to_c_0_2 = -1*h_to_c_1_1
111314  h_to_c_1_2 = +2*alpha*h_to_c_0_1
111315  h_to_c_2_2 = +2*alpha*h_to_c_1_1
111316  h_to_c_0_3 = -1*h_to_c_1_2
111317  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
111318  h_to_c_2_3 = +2*alpha*h_to_c_1_2
111319  h_to_c_3_3 = +2*alpha*h_to_c_2_2
111320  h_to_c_0_4 = -1*h_to_c_1_3
111321  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
111322  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
111323  h_to_c_3_4 = +2*alpha*h_to_c_2_3
111324  h_to_c_4_4 = +2*alpha*h_to_c_3_3
111325  h_to_c_0_5 = -1*h_to_c_1_4
111326  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
111327  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
111328  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
111329  h_to_c_4_5 = +2*alpha*h_to_c_3_4
111330  h_to_c_5_5 = +2*alpha*h_to_c_4_4
111331  h_to_c_0_6 = -1*h_to_c_1_5
111332  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
111333  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
111334  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
111335  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
111336  h_to_c_5_6 = +2*alpha*h_to_c_4_5
111337  h_to_c_6_6 = +2*alpha*h_to_c_5_5
111338  h_to_c_0_7 = -1*h_to_c_1_6
111339  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
111340  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
111341  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
111342  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
111343  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
111344  h_to_c_6_7 = +2*alpha*h_to_c_5_6
111345  h_to_c_7_7 = +2*alpha*h_to_c_6_6
111346  h_to_c_0_8 = -1*h_to_c_1_7
111347  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
111348  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
111349  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
111350  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
111351  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
111352  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
111353  h_to_c_7_8 = +2*alpha*h_to_c_6_7
111354  h_to_c_8_8 = +2*alpha*h_to_c_7_7
111355  h_to_c_0_9 = -1*h_to_c_1_8
111356  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
111357  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
111358  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
111359  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
111360  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
111361  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
111362  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
111363  h_to_c_8_9 = +2*alpha*h_to_c_7_8
111364  h_to_c_9_9 = +2*alpha*h_to_c_8_8
111365  h_to_c_0_10 = -1*h_to_c_1_9
111366  h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
111367  h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
111368  h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
111369  h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
111370  h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
111371  h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
111372  h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
111373  h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
111374  h_to_c_9_10 = +2*alpha*h_to_c_8_9
111375  h_to_c_10_10 = +2*alpha*h_to_c_9_9
111376  h_to_c_0_11 = -1*h_to_c_1_10
111377  h_to_c_1_11 = -2*h_to_c_2_10 +2*alpha*h_to_c_0_10
111378  h_to_c_2_11 = -3*h_to_c_3_10 +2*alpha*h_to_c_1_10
111379  h_to_c_3_11 = -4*h_to_c_4_10 +2*alpha*h_to_c_2_10
111380  h_to_c_4_11 = -5*h_to_c_5_10 +2*alpha*h_to_c_3_10
111381  h_to_c_5_11 = -6*h_to_c_6_10 +2*alpha*h_to_c_4_10
111382  h_to_c_6_11 = -7*h_to_c_7_10 +2*alpha*h_to_c_5_10
111383  h_to_c_7_11 = -8*h_to_c_8_10 +2*alpha*h_to_c_6_10
111384  h_to_c_8_11 = -9*h_to_c_9_10 +2*alpha*h_to_c_7_10
111385  h_to_c_9_11 = -10*h_to_c_10_10 +2*alpha*h_to_c_8_10
111386  h_to_c_10_11 = +2*alpha*h_to_c_9_10
111387  h_to_c_11_11 = +2*alpha*h_to_c_10_10
111388 
111389  exp_drsq = exp(-alpha*dr*dr)
111390  exp_2drsq = exp_drsq*exp_drsq
111391 
111392  rr1_delta = (ra - rb)/dr
111393 
111394  rr1_l = ceiling(-r_c(1) + rr1_delta)
111395  rr1_r = floor(r_c(1) + rr1_delta)
111396 
111397  r1 = rr1_l*dr
111398 
111399  alpha_e = zeta*zetb/(zeta + zetb)
111400 
111401  DO rr1 = rr1_l, rr1_r
111402  s_r_t_0 = 0.0_dp
111403  s_r_t2_0 = 0.0_dp
111404  s_r_t_1 = 0.0_dp
111405  s_r_t2_1 = 0.0_dp
111406  s_r_t_2 = 0.0_dp
111407  s_r_t2_2 = 0.0_dp
111408  s_r_t_3 = 0.0_dp
111409  s_r_t2_3 = 0.0_dp
111410  s_r_t_4 = 0.0_dp
111411  s_r_t2_4 = 0.0_dp
111412  s_r_t_5 = 0.0_dp
111413  s_r_t2_5 = 0.0_dp
111414  s_r_t_6 = 0.0_dp
111415  s_r_t2_6 = 0.0_dp
111416  s_r_t_7 = 0.0_dp
111417  s_r_t2_7 = 0.0_dp
111418  s_r_t_8 = 0.0_dp
111419  s_r_t2_8 = 0.0_dp
111420  s_r_t_9 = 0.0_dp
111421  s_r_t2_9 = 0.0_dp
111422  s_r_t_10 = 0.0_dp
111423  s_r_t2_10 = 0.0_dp
111424  s_r_t_11 = 0.0_dp
111425  s_r_t2_11 = 0.0_dp
111426  r_tmp = r_offset + r1*zeta/(zeta + zetb)
111427  rr2_delta = -r_tmp/dr
111428 
111429  rr2_l = ceiling(-r_c(2) + rr2_delta)
111430  rr2_r = floor(r_c(2) + rr2_delta)
111431 
111432  r = r_tmp + (rr2_l)*dr
111433 
111434  exp2_2rdr = exp(-2*alpha*r*dr)
111435  exp2_rsq = exp(-alpha*r*r)
111436 
111437  DO rr2 = rr2_l, rr2_r
111438  r_pow_t = 1.0_dp
111439  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
111440  r_pow_t = r_pow_t*r
111441  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
111442  r_pow_t = r_pow_t*r
111443  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
111444  r_pow_t = r_pow_t*r
111445  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
111446  r_pow_t = r_pow_t*r
111447  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
111448  r_pow_t = r_pow_t*r
111449  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
111450  r_pow_t = r_pow_t*r
111451  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
111452  r_pow_t = r_pow_t*r
111453  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
111454  r_pow_t = r_pow_t*r
111455  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
111456  r_pow_t = r_pow_t*r
111457  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
111458  r_pow_t = r_pow_t*r
111459  s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
111460  r_pow_t = r_pow_t*r
111461  s_r_t_11 = s_r_t_11+r_pow_t*exp2_rsq
111462 
111463  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
111464  exp2_2rdr = exp2_2rdr*exp_2drsq
111465  r = r + dr
111466  END DO
111467 
111468  ! C --> H
111469  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
111470  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
111471  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
111472  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
111473  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
111474  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
111475  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
111476  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
111477  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
111478  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
111479  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
111480  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
111481  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
111482  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
111483  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
111484  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
111485  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
111486  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
111487  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
111488  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
111489  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
111490  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
111491  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
111492  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
111493  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
111494  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
111495  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
111496  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
111497  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
111498  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
111499  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
111500  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
111501  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
111502  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
111503  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
111504  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
111505  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
111506  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
111507  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
111508  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
111509  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
111510  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
111511  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
111512  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
111513  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
111514  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
111515  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
111516  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
111517  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
111518  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
111519  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
111520  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
111521  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
111522  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
111523  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
111524  s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
111525  s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
111526  s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
111527  s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
111528  s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
111529  s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
111530  s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
111531  s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
111532  s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
111533  s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
111534  s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
111535  s_r_t2_11 = s_r_t2_11+h_to_c_0_11*s_r_t_0
111536  s_r_t2_11 = s_r_t2_11+h_to_c_1_11*s_r_t_1
111537  s_r_t2_11 = s_r_t2_11+h_to_c_2_11*s_r_t_2
111538  s_r_t2_11 = s_r_t2_11+h_to_c_3_11*s_r_t_3
111539  s_r_t2_11 = s_r_t2_11+h_to_c_4_11*s_r_t_4
111540  s_r_t2_11 = s_r_t2_11+h_to_c_5_11*s_r_t_5
111541  s_r_t2_11 = s_r_t2_11+h_to_c_6_11*s_r_t_6
111542  s_r_t2_11 = s_r_t2_11+h_to_c_7_11*s_r_t_7
111543  s_r_t2_11 = s_r_t2_11+h_to_c_8_11*s_r_t_8
111544  s_r_t2_11 = s_r_t2_11+h_to_c_9_11*s_r_t_9
111545  s_r_t2_11 = s_r_t2_11+h_to_c_10_11*s_r_t_10
111546  s_r_t2_11 = s_r_t2_11+h_to_c_11_11*s_r_t_11
111547 
111548  ! H --> HH
111549  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
111550 
111551  c1 = 1.0_dp/(zeta + zetb)
111552  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
111553  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
111554 
111555  e_0_1_0 = zeta*( &
111556  +c2*e_0_0_0&
111557 
111558  )
111559  e_0_0_1 = zetb*( &
111560  +c3*e_0_0_0&
111561 
111562  )
111563  e_1_1_0 = zeta*( c1*e_0_0_0 &
111564 
111565 
111566  )
111567  e_1_0_1 = zetb*( c1*e_0_0_0 &
111568 
111569 
111570  )
111571  e_0_2_0 = zeta*( &
111572  +c2*e_0_1_0&
111573  +2*e_1_1_0 &
111574  -2*e_0_0_0)
111575  e_0_1_1 = zetb*( &
111576  +c3*e_0_1_0&
111577  +2*e_1_1_0 &
111578  )
111579  e_1_2_0 = zeta*( c1*e_0_1_0 &
111580  +c2*e_1_1_0&
111581 
111582  )
111583  e_1_1_1 = zetb*( c1*e_0_1_0 &
111584  +c3*e_1_1_0&
111585 
111586  )
111587  e_2_2_0 = zeta*( c1*e_1_1_0 &
111588 
111589 
111590  )
111591  e_2_1_1 = zetb*( c1*e_1_1_0 &
111592 
111593 
111594  )
111595  e_0_3_0 = zeta*( &
111596  +c2*e_0_2_0&
111597  +2*e_1_2_0 &
111598  -4*e_0_1_0)
111599  e_0_2_1 = zetb*( &
111600  +c3*e_0_2_0&
111601  +2*e_1_2_0 &
111602  )
111603  e_1_3_0 = zeta*( c1*e_0_2_0 &
111604  +c2*e_1_2_0&
111605  +4*e_2_2_0 &
111606  -4*e_1_1_0)
111607  e_1_2_1 = zetb*( c1*e_0_2_0 &
111608  +c3*e_1_2_0&
111609  +4*e_2_2_0 &
111610  )
111611  e_2_3_0 = zeta*( c1*e_1_2_0 &
111612  +c2*e_2_2_0&
111613 
111614  )
111615  e_2_2_1 = zetb*( c1*e_1_2_0 &
111616  +c3*e_2_2_0&
111617 
111618  )
111619  e_3_3_0 = zeta*( c1*e_2_2_0 &
111620 
111621 
111622  )
111623  e_3_2_1 = zetb*( c1*e_2_2_0 &
111624 
111625 
111626  )
111627  e_0_4_0 = zeta*( &
111628  +c2*e_0_3_0&
111629  +2*e_1_3_0 &
111630  -6*e_0_2_0)
111631  e_0_3_1 = zetb*( &
111632  +c3*e_0_3_0&
111633  +2*e_1_3_0 &
111634  )
111635  e_1_4_0 = zeta*( c1*e_0_3_0 &
111636  +c2*e_1_3_0&
111637  +4*e_2_3_0 &
111638  -6*e_1_2_0)
111639  e_1_3_1 = zetb*( c1*e_0_3_0 &
111640  +c3*e_1_3_0&
111641  +4*e_2_3_0 &
111642  )
111643  e_2_4_0 = zeta*( c1*e_1_3_0 &
111644  +c2*e_2_3_0&
111645  +6*e_3_3_0 &
111646  -6*e_2_2_0)
111647  e_2_3_1 = zetb*( c1*e_1_3_0 &
111648  +c3*e_2_3_0&
111649  +6*e_3_3_0 &
111650  )
111651  e_3_4_0 = zeta*( c1*e_2_3_0 &
111652  +c2*e_3_3_0&
111653 
111654  )
111655  e_3_3_1 = zetb*( c1*e_2_3_0 &
111656  +c3*e_3_3_0&
111657 
111658  )
111659  e_4_4_0 = zeta*( c1*e_3_3_0 &
111660 
111661 
111662  )
111663  e_4_3_1 = zetb*( c1*e_3_3_0 &
111664 
111665 
111666  )
111667  e_0_4_1 = zetb*( &
111668  +c3*e_0_4_0&
111669  +2*e_1_4_0 &
111670  )
111671  e_1_4_1 = zetb*( c1*e_0_4_0 &
111672  +c3*e_1_4_0&
111673  +4*e_2_4_0 &
111674  )
111675  e_2_4_1 = zetb*( c1*e_1_4_0 &
111676  +c3*e_2_4_0&
111677  +6*e_3_4_0 &
111678  )
111679  e_3_4_1 = zetb*( c1*e_2_4_0 &
111680  +c3*e_3_4_0&
111681  +8*e_4_4_0 &
111682  )
111683  e_4_4_1 = zetb*( c1*e_3_4_0 &
111684  +c3*e_4_4_0&
111685 
111686  )
111687  e_5_4_1 = zetb*( c1*e_4_4_0 &
111688 
111689 
111690  )
111691  e_0_1_1 = zeta*( &
111692  +c2*e_0_0_1&
111693  +2*e_1_0_1 &
111694  )
111695  e_0_0_2 = zetb*( &
111696  +c3*e_0_0_1&
111697  +2*e_1_0_1 &
111698  -2*e_0_0_0)
111699  e_1_1_1 = zeta*( c1*e_0_0_1 &
111700  +c2*e_1_0_1&
111701 
111702  )
111703  e_1_0_2 = zetb*( c1*e_0_0_1 &
111704  +c3*e_1_0_1&
111705 
111706  )
111707  e_2_1_1 = zeta*( c1*e_1_0_1 &
111708 
111709 
111710  )
111711  e_2_0_2 = zetb*( c1*e_1_0_1 &
111712 
111713 
111714  )
111715  e_0_2_1 = zeta*( &
111716  +c2*e_0_1_1&
111717  +2*e_1_1_1 &
111718  -2*e_0_0_1)
111719  e_0_1_2 = zetb*( &
111720  +c3*e_0_1_1&
111721  +2*e_1_1_1 &
111722  -2*e_0_1_0)
111723  e_1_2_1 = zeta*( c1*e_0_1_1 &
111724  +c2*e_1_1_1&
111725  +4*e_2_1_1 &
111726  -2*e_1_0_1)
111727  e_1_1_2 = zetb*( c1*e_0_1_1 &
111728  +c3*e_1_1_1&
111729  +4*e_2_1_1 &
111730  -2*e_1_1_0)
111731  e_2_2_1 = zeta*( c1*e_1_1_1 &
111732  +c2*e_2_1_1&
111733 
111734  )
111735  e_2_1_2 = zetb*( c1*e_1_1_1 &
111736  +c3*e_2_1_1&
111737 
111738  )
111739  e_3_2_1 = zeta*( c1*e_2_1_1 &
111740 
111741 
111742  )
111743  e_3_1_2 = zetb*( c1*e_2_1_1 &
111744 
111745 
111746  )
111747  e_0_3_1 = zeta*( &
111748  +c2*e_0_2_1&
111749  +2*e_1_2_1 &
111750  -4*e_0_1_1)
111751  e_0_2_2 = zetb*( &
111752  +c3*e_0_2_1&
111753  +2*e_1_2_1 &
111754  -2*e_0_2_0)
111755  e_1_3_1 = zeta*( c1*e_0_2_1 &
111756  +c2*e_1_2_1&
111757  +4*e_2_2_1 &
111758  -4*e_1_1_1)
111759  e_1_2_2 = zetb*( c1*e_0_2_1 &
111760  +c3*e_1_2_1&
111761  +4*e_2_2_1 &
111762  -2*e_1_2_0)
111763  e_2_3_1 = zeta*( c1*e_1_2_1 &
111764  +c2*e_2_2_1&
111765  +6*e_3_2_1 &
111766  -4*e_2_1_1)
111767  e_2_2_2 = zetb*( c1*e_1_2_1 &
111768  +c3*e_2_2_1&
111769  +6*e_3_2_1 &
111770  -2*e_2_2_0)
111771  e_3_3_1 = zeta*( c1*e_2_2_1 &
111772  +c2*e_3_2_1&
111773 
111774  )
111775  e_3_2_2 = zetb*( c1*e_2_2_1 &
111776  +c3*e_3_2_1&
111777 
111778  )
111779  e_4_3_1 = zeta*( c1*e_3_2_1 &
111780 
111781 
111782  )
111783  e_4_2_2 = zetb*( c1*e_3_2_1 &
111784 
111785 
111786  )
111787  e_0_4_1 = zeta*( &
111788  +c2*e_0_3_1&
111789  +2*e_1_3_1 &
111790  -6*e_0_2_1)
111791  e_0_3_2 = zetb*( &
111792  +c3*e_0_3_1&
111793  +2*e_1_3_1 &
111794  -2*e_0_3_0)
111795  e_1_4_1 = zeta*( c1*e_0_3_1 &
111796  +c2*e_1_3_1&
111797  +4*e_2_3_1 &
111798  -6*e_1_2_1)
111799  e_1_3_2 = zetb*( c1*e_0_3_1 &
111800  +c3*e_1_3_1&
111801  +4*e_2_3_1 &
111802  -2*e_1_3_0)
111803  e_2_4_1 = zeta*( c1*e_1_3_1 &
111804  +c2*e_2_3_1&
111805  +6*e_3_3_1 &
111806  -6*e_2_2_1)
111807  e_2_3_2 = zetb*( c1*e_1_3_1 &
111808  +c3*e_2_3_1&
111809  +6*e_3_3_1 &
111810  -2*e_2_3_0)
111811  e_3_4_1 = zeta*( c1*e_2_3_1 &
111812  +c2*e_3_3_1&
111813  +8*e_4_3_1 &
111814  -6*e_3_2_1)
111815  e_3_3_2 = zetb*( c1*e_2_3_1 &
111816  +c3*e_3_3_1&
111817  +8*e_4_3_1 &
111818  -2*e_3_3_0)
111819  e_4_4_1 = zeta*( c1*e_3_3_1 &
111820  +c2*e_4_3_1&
111821 
111822  )
111823  e_4_3_2 = zetb*( c1*e_3_3_1 &
111824  +c3*e_4_3_1&
111825 
111826  )
111827  e_5_4_1 = zeta*( c1*e_4_3_1 &
111828 
111829 
111830  )
111831  e_5_3_2 = zetb*( c1*e_4_3_1 &
111832 
111833 
111834  )
111835  e_0_4_2 = zetb*( &
111836  +c3*e_0_4_1&
111837  +2*e_1_4_1 &
111838  -2*e_0_4_0)
111839  e_1_4_2 = zetb*( c1*e_0_4_1 &
111840  +c3*e_1_4_1&
111841  +4*e_2_4_1 &
111842  -2*e_1_4_0)
111843  e_2_4_2 = zetb*( c1*e_1_4_1 &
111844  +c3*e_2_4_1&
111845  +6*e_3_4_1 &
111846  -2*e_2_4_0)
111847  e_3_4_2 = zetb*( c1*e_2_4_1 &
111848  +c3*e_3_4_1&
111849  +8*e_4_4_1 &
111850  -2*e_3_4_0)
111851  e_4_4_2 = zetb*( c1*e_3_4_1 &
111852  +c3*e_4_4_1&
111853  +10*e_5_4_1 &
111854  -2*e_4_4_0)
111855  e_5_4_2 = zetb*( c1*e_4_4_1 &
111856  +c3*e_5_4_1&
111857 
111858  )
111859  e_6_4_2 = zetb*( c1*e_5_4_1 &
111860 
111861 
111862  )
111863  e_0_1_2 = zeta*( &
111864  +c2*e_0_0_2&
111865  +2*e_1_0_2 &
111866  )
111867  e_0_0_3 = zetb*( &
111868  +c3*e_0_0_2&
111869  +2*e_1_0_2 &
111870  -4*e_0_0_1)
111871  e_1_1_2 = zeta*( c1*e_0_0_2 &
111872  +c2*e_1_0_2&
111873  +4*e_2_0_2 &
111874  )
111875  e_1_0_3 = zetb*( c1*e_0_0_2 &
111876  +c3*e_1_0_2&
111877  +4*e_2_0_2 &
111878  -4*e_1_0_1)
111879  e_2_1_2 = zeta*( c1*e_1_0_2 &
111880  +c2*e_2_0_2&
111881 
111882  )
111883  e_2_0_3 = zetb*( c1*e_1_0_2 &
111884  +c3*e_2_0_2&
111885 
111886  )
111887  e_3_1_2 = zeta*( c1*e_2_0_2 &
111888 
111889 
111890  )
111891  e_3_0_3 = zetb*( c1*e_2_0_2 &
111892 
111893 
111894  )
111895  e_0_2_2 = zeta*( &
111896  +c2*e_0_1_2&
111897  +2*e_1_1_2 &
111898  -2*e_0_0_2)
111899  e_0_1_3 = zetb*( &
111900  +c3*e_0_1_2&
111901  +2*e_1_1_2 &
111902  -4*e_0_1_1)
111903  e_1_2_2 = zeta*( c1*e_0_1_2 &
111904  +c2*e_1_1_2&
111905  +4*e_2_1_2 &
111906  -2*e_1_0_2)
111907  e_1_1_3 = zetb*( c1*e_0_1_2 &
111908  +c3*e_1_1_2&
111909  +4*e_2_1_2 &
111910  -4*e_1_1_1)
111911  e_2_2_2 = zeta*( c1*e_1_1_2 &
111912  +c2*e_2_1_2&
111913  +6*e_3_1_2 &
111914  -2*e_2_0_2)
111915  e_2_1_3 = zetb*( c1*e_1_1_2 &
111916  +c3*e_2_1_2&
111917  +6*e_3_1_2 &
111918  -4*e_2_1_1)
111919  e_3_2_2 = zeta*( c1*e_2_1_2 &
111920  +c2*e_3_1_2&
111921 
111922  )
111923  e_3_1_3 = zetb*( c1*e_2_1_2 &
111924  +c3*e_3_1_2&
111925 
111926  )
111927  e_4_2_2 = zeta*( c1*e_3_1_2 &
111928 
111929 
111930  )
111931  e_4_1_3 = zetb*( c1*e_3_1_2 &
111932 
111933 
111934  )
111935  e_0_3_2 = zeta*( &
111936  +c2*e_0_2_2&
111937  +2*e_1_2_2 &
111938  -4*e_0_1_2)
111939  e_0_2_3 = zetb*( &
111940  +c3*e_0_2_2&
111941  +2*e_1_2_2 &
111942  -4*e_0_2_1)
111943  e_1_3_2 = zeta*( c1*e_0_2_2 &
111944  +c2*e_1_2_2&
111945  +4*e_2_2_2 &
111946  -4*e_1_1_2)
111947  e_1_2_3 = zetb*( c1*e_0_2_2 &
111948  +c3*e_1_2_2&
111949  +4*e_2_2_2 &
111950  -4*e_1_2_1)
111951  e_2_3_2 = zeta*( c1*e_1_2_2 &
111952  +c2*e_2_2_2&
111953  +6*e_3_2_2 &
111954  -4*e_2_1_2)
111955  e_2_2_3 = zetb*( c1*e_1_2_2 &
111956  +c3*e_2_2_2&
111957  +6*e_3_2_2 &
111958  -4*e_2_2_1)
111959  e_3_3_2 = zeta*( c1*e_2_2_2 &
111960  +c2*e_3_2_2&
111961  +8*e_4_2_2 &
111962  -4*e_3_1_2)
111963  e_3_2_3 = zetb*( c1*e_2_2_2 &
111964  +c3*e_3_2_2&
111965  +8*e_4_2_2 &
111966  -4*e_3_2_1)
111967  e_4_3_2 = zeta*( c1*e_3_2_2 &
111968  +c2*e_4_2_2&
111969 
111970  )
111971  e_4_2_3 = zetb*( c1*e_3_2_2 &
111972  +c3*e_4_2_2&
111973 
111974  )
111975  e_5_3_2 = zeta*( c1*e_4_2_2 &
111976 
111977 
111978  )
111979  e_5_2_3 = zetb*( c1*e_4_2_2 &
111980 
111981 
111982  )
111983  e_0_4_2 = zeta*( &
111984  +c2*e_0_3_2&
111985  +2*e_1_3_2 &
111986  -6*e_0_2_2)
111987  e_0_3_3 = zetb*( &
111988  +c3*e_0_3_2&
111989  +2*e_1_3_2 &
111990  -4*e_0_3_1)
111991  e_1_4_2 = zeta*( c1*e_0_3_2 &
111992  +c2*e_1_3_2&
111993  +4*e_2_3_2 &
111994  -6*e_1_2_2)
111995  e_1_3_3 = zetb*( c1*e_0_3_2 &
111996  +c3*e_1_3_2&
111997  +4*e_2_3_2 &
111998  -4*e_1_3_1)
111999  e_2_4_2 = zeta*( c1*e_1_3_2 &
112000  +c2*e_2_3_2&
112001  +6*e_3_3_2 &
112002  -6*e_2_2_2)
112003  e_2_3_3 = zetb*( c1*e_1_3_2 &
112004  +c3*e_2_3_2&
112005  +6*e_3_3_2 &
112006  -4*e_2_3_1)
112007  e_3_4_2 = zeta*( c1*e_2_3_2 &
112008  +c2*e_3_3_2&
112009  +8*e_4_3_2 &
112010  -6*e_3_2_2)
112011  e_3_3_3 = zetb*( c1*e_2_3_2 &
112012  +c3*e_3_3_2&
112013  +8*e_4_3_2 &
112014  -4*e_3_3_1)
112015  e_4_4_2 = zeta*( c1*e_3_3_2 &
112016  +c2*e_4_3_2&
112017  +10*e_5_3_2 &
112018  -6*e_4_2_2)
112019  e_4_3_3 = zetb*( c1*e_3_3_2 &
112020  +c3*e_4_3_2&
112021  +10*e_5_3_2 &
112022  -4*e_4_3_1)
112023  e_5_4_2 = zeta*( c1*e_4_3_2 &
112024  +c2*e_5_3_2&
112025 
112026  )
112027  e_5_3_3 = zetb*( c1*e_4_3_2 &
112028  +c3*e_5_3_2&
112029 
112030  )
112031  e_6_4_2 = zeta*( c1*e_5_3_2 &
112032 
112033 
112034  )
112035  e_6_3_3 = zetb*( c1*e_5_3_2 &
112036 
112037 
112038  )
112039  e_0_4_3 = zetb*( &
112040  +c3*e_0_4_2&
112041  +2*e_1_4_2 &
112042  -4*e_0_4_1)
112043  e_1_4_3 = zetb*( c1*e_0_4_2 &
112044  +c3*e_1_4_2&
112045  +4*e_2_4_2 &
112046  -4*e_1_4_1)
112047  e_2_4_3 = zetb*( c1*e_1_4_2 &
112048  +c3*e_2_4_2&
112049  +6*e_3_4_2 &
112050  -4*e_2_4_1)
112051  e_3_4_3 = zetb*( c1*e_2_4_2 &
112052  +c3*e_3_4_2&
112053  +8*e_4_4_2 &
112054  -4*e_3_4_1)
112055  e_4_4_3 = zetb*( c1*e_3_4_2 &
112056  +c3*e_4_4_2&
112057  +10*e_5_4_2 &
112058  -4*e_4_4_1)
112059  e_5_4_3 = zetb*( c1*e_4_4_2 &
112060  +c3*e_5_4_2&
112061  +12*e_6_4_2 &
112062  -4*e_5_4_1)
112063  e_6_4_3 = zetb*( c1*e_5_4_2 &
112064  +c3*e_6_4_2&
112065 
112066  )
112067  e_7_4_3 = zetb*( c1*e_6_4_2 &
112068 
112069 
112070  )
112071  e_0_1_3 = zeta*( &
112072  +c2*e_0_0_3&
112073  +2*e_1_0_3 &
112074  )
112075  e_1_1_3 = zeta*( c1*e_0_0_3 &
112076  +c2*e_1_0_3&
112077  +4*e_2_0_3 &
112078  )
112079  e_2_1_3 = zeta*( c1*e_1_0_3 &
112080  +c2*e_2_0_3&
112081  +6*e_3_0_3 &
112082  )
112083  e_3_1_3 = zeta*( c1*e_2_0_3 &
112084  +c2*e_3_0_3&
112085 
112086  )
112087  e_4_1_3 = zeta*( c1*e_3_0_3 &
112088 
112089 
112090  )
112091  e_0_2_3 = zeta*( &
112092  +c2*e_0_1_3&
112093  +2*e_1_1_3 &
112094  -2*e_0_0_3)
112095  e_1_2_3 = zeta*( c1*e_0_1_3 &
112096  +c2*e_1_1_3&
112097  +4*e_2_1_3 &
112098  -2*e_1_0_3)
112099  e_2_2_3 = zeta*( c1*e_1_1_3 &
112100  +c2*e_2_1_3&
112101  +6*e_3_1_3 &
112102  -2*e_2_0_3)
112103  e_3_2_3 = zeta*( c1*e_2_1_3 &
112104  +c2*e_3_1_3&
112105  +8*e_4_1_3 &
112106  -2*e_3_0_3)
112107  e_4_2_3 = zeta*( c1*e_3_1_3 &
112108  +c2*e_4_1_3&
112109 
112110  )
112111  e_5_2_3 = zeta*( c1*e_4_1_3 &
112112 
112113 
112114  )
112115  e_0_3_3 = zeta*( &
112116  +c2*e_0_2_3&
112117  +2*e_1_2_3 &
112118  -4*e_0_1_3)
112119  e_1_3_3 = zeta*( c1*e_0_2_3 &
112120  +c2*e_1_2_3&
112121  +4*e_2_2_3 &
112122  -4*e_1_1_3)
112123  e_2_3_3 = zeta*( c1*e_1_2_3 &
112124  +c2*e_2_2_3&
112125  +6*e_3_2_3 &
112126  -4*e_2_1_3)
112127  e_3_3_3 = zeta*( c1*e_2_2_3 &
112128  +c2*e_3_2_3&
112129  +8*e_4_2_3 &
112130  -4*e_3_1_3)
112131  e_4_3_3 = zeta*( c1*e_3_2_3 &
112132  +c2*e_4_2_3&
112133  +10*e_5_2_3 &
112134  -4*e_4_1_3)
112135  e_5_3_3 = zeta*( c1*e_4_2_3 &
112136  +c2*e_5_2_3&
112137 
112138  )
112139  e_6_3_3 = zeta*( c1*e_5_2_3 &
112140 
112141 
112142  )
112143  e_0_4_3 = zeta*( &
112144  +c2*e_0_3_3&
112145  +2*e_1_3_3 &
112146  -6*e_0_2_3)
112147  e_1_4_3 = zeta*( c1*e_0_3_3 &
112148  +c2*e_1_3_3&
112149  +4*e_2_3_3 &
112150  -6*e_1_2_3)
112151  e_2_4_3 = zeta*( c1*e_1_3_3 &
112152  +c2*e_2_3_3&
112153  +6*e_3_3_3 &
112154  -6*e_2_2_3)
112155  e_3_4_3 = zeta*( c1*e_2_3_3 &
112156  +c2*e_3_3_3&
112157  +8*e_4_3_3 &
112158  -6*e_3_2_3)
112159  e_4_4_3 = zeta*( c1*e_3_3_3 &
112160  +c2*e_4_3_3&
112161  +10*e_5_3_3 &
112162  -6*e_4_2_3)
112163  e_5_4_3 = zeta*( c1*e_4_3_3 &
112164  +c2*e_5_3_3&
112165  +12*e_6_3_3 &
112166  -6*e_5_2_3)
112167  e_6_4_3 = zeta*( c1*e_5_3_3 &
112168  +c2*e_6_3_3&
112169 
112170  )
112171  e_7_4_3 = zeta*( c1*e_6_3_3 &
112172 
112173 
112174  )
112175 
112176  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
112177  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
112178  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
112179  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
112180  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
112181  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
112182  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
112183  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
112184  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
112185  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
112186  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
112187  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
112188  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
112189  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
112190  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
112191  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
112192  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
112193  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
112194  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
112195  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
112196  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
112197  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
112198  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
112199  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
112200  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
112201  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
112202  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
112203  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
112204  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
112205  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
112206  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
112207  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
112208  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
112209  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
112210  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
112211  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
112212  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
112213  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
112214  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
112215  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
112216  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
112217  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
112218  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
112219  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
112220  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
112221  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
112222  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
112223  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
112224  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
112225  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
112226  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
112227  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
112228  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
112229  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
112230  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
112231  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
112232  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
112233  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
112234  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
112235  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
112236  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
112237  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
112238  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
112239  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
112240  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
112241  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
112242  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
112243  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
112244  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
112245  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
112246  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
112247  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
112248  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
112249  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
112250  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
112251  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
112252  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
112253  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
112254  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
112255  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
112256  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
112257  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
112258  s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
112259  s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
112260  s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
112261  s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
112262  s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
112263  s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
112264  s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
112265  s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
112266  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
112267  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
112268  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
112269  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
112270  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
112271  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
112272  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
112273  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
112274  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
112275  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
112276  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
112277  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
112278  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
112279  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
112280  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
112281  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
112282  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
112283  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
112284  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
112285  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
112286  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
112287  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
112288  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
112289  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
112290  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
112291  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
112292  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
112293  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
112294  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
112295  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
112296  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
112297  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
112298  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
112299  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
112300  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
112301  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
112302  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
112303  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
112304  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
112305  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
112306  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
112307  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
112308  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
112309  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
112310  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
112311  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
112312  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
112313  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
112314  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
112315  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
112316  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
112317  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
112318  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
112319  s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
112320  s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
112321  s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
112322  s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
112323  s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
112324  s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
112325  s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
112326  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
112327  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
112328  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
112329  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
112330  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
112331  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
112332  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
112333  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
112334  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
112335  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
112336  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
112337  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
112338  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
112339  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
112340  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
112341  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
112342  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
112343  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
112344  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
112345  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
112346  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
112347  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
112348  s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
112349  s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
112350  s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
112351  s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
112352  s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
112353  s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
112354  s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
112355  s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
112356  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
112357  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
112358  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
112359  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
112360  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
112361  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
112362  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
112363  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
112364  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
112365  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
112366  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
112367  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
112368  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
112369  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
112370  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
112371  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
112372  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
112373  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
112374  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
112375  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
112376  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
112377  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
112378  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
112379  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
112380  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
112381  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
112382  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
112383  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
112384  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
112385  s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
112386  s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
112387  s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
112388  s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
112389  s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
112390  s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
112391  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
112392  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
112393  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
112394  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
112395  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
112396  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
112397  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
112398  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
112399  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
112400  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
112401  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
112402  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
112403  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
112404  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
112405  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
112406  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
112407  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
112408  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
112409  s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
112410  s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
112411  s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
112412  s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
112413  s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
112414  s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
112415  s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
112416  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
112417  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
112418  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
112419  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
112420  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
112421  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
112422  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
112423  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
112424  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
112425  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
112426  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
112427  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
112428  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
112429  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
112430  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
112431  s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
112432  s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
112433  s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
112434  s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
112435  s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
112436  s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
112437  s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
112438  s_r(4, 3, 2) = s_r(4, 3, 2) + e_0_4_3*(1)*s_r_t2_2 ! cost: 5 flops
112439  s_r(4, 3, 2) = s_r(4, 3, 2) + e_1_4_3*(1)*s_r_t2_3 ! cost: 5 flops
112440  s_r(4, 3, 2) = s_r(4, 3, 2) + e_2_4_3*(1)*s_r_t2_4 ! cost: 5 flops
112441  s_r(4, 3, 2) = s_r(4, 3, 2) + e_3_4_3*(1)*s_r_t2_5 ! cost: 5 flops
112442  s_r(4, 3, 2) = s_r(4, 3, 2) + e_4_4_3*(1)*s_r_t2_6 ! cost: 5 flops
112443  s_r(4, 3, 2) = s_r(4, 3, 2) + e_5_4_3*(1)*s_r_t2_7 ! cost: 5 flops
112444  s_r(4, 3, 2) = s_r(4, 3, 2) + e_6_4_3*(1)*s_r_t2_8 ! cost: 5 flops
112445  s_r(4, 3, 2) = s_r(4, 3, 2) + e_7_4_3*(1)*s_r_t2_9 ! cost: 5 flops
112446  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
112447  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
112448  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
112449  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
112450  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
112451  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
112452  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
112453  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
112454  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
112455  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
112456  s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
112457  s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
112458  s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
112459  s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
112460  s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
112461  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
112462  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
112463  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
112464  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
112465  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
112466  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
112467  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
112468  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
112469  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
112470  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
112471  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
112472  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
112473  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
112474  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
112475  s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
112476  s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
112477  s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
112478  s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
112479  s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
112480  s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
112481  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
112482  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
112483  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
112484  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
112485  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
112486  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
112487  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
112488  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
112489  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
112490  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
112491  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
112492  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
112493  s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
112494  s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
112495  s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
112496  s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
112497  s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
112498  s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
112499  s_r(4, 2, 3) = s_r(4, 2, 3) + e_0_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
112500  s_r(4, 2, 3) = s_r(4, 2, 3) + e_1_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
112501  s_r(4, 2, 3) = s_r(4, 2, 3) + e_2_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
112502  s_r(4, 2, 3) = s_r(4, 2, 3) + e_3_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
112503  s_r(4, 2, 3) = s_r(4, 2, 3) + e_4_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
112504  s_r(4, 2, 3) = s_r(4, 2, 3) + e_5_4_2*(-1)*s_r_t2_8 ! cost: 5 flops
112505  s_r(4, 2, 3) = s_r(4, 2, 3) + e_6_4_2*(-1)*s_r_t2_9 ! cost: 5 flops
112506  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
112507  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
112508  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
112509  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
112510  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
112511  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
112512  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
112513  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
112514  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
112515  s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
112516  s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
112517  s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
112518  s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
112519  s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
112520  s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
112521  s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
112522  s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
112523  s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
112524  s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
112525  s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
112526  s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
112527  s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
112528  s_r(4, 3, 3) = s_r(4, 3, 3) + e_0_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
112529  s_r(4, 3, 3) = s_r(4, 3, 3) + e_1_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
112530  s_r(4, 3, 3) = s_r(4, 3, 3) + e_2_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
112531  s_r(4, 3, 3) = s_r(4, 3, 3) + e_3_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
112532  s_r(4, 3, 3) = s_r(4, 3, 3) + e_4_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
112533  s_r(4, 3, 3) = s_r(4, 3, 3) + e_5_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
112534  s_r(4, 3, 3) = s_r(4, 3, 3) + e_6_4_3*(-1)*s_r_t2_9 ! cost: 5 flops
112535  s_r(4, 3, 3) = s_r(4, 3, 3) + e_7_4_3*(-1)*s_r_t2_10 ! cost: 5 flops
112536  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
112537  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
112538  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
112539  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
112540  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
112541  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
112542  s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
112543  s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
112544  s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
112545  s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
112546  s_r(4, 0, 4) = s_r(4, 0, 4) + e_0_4_0*(1)*s_r_t2_4 ! cost: 5 flops
112547  s_r(4, 0, 4) = s_r(4, 0, 4) + e_1_4_0*(1)*s_r_t2_5 ! cost: 5 flops
112548  s_r(4, 0, 4) = s_r(4, 0, 4) + e_2_4_0*(1)*s_r_t2_6 ! cost: 5 flops
112549  s_r(4, 0, 4) = s_r(4, 0, 4) + e_3_4_0*(1)*s_r_t2_7 ! cost: 5 flops
112550  s_r(4, 0, 4) = s_r(4, 0, 4) + e_4_4_0*(1)*s_r_t2_8 ! cost: 5 flops
112551  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
112552  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
112553  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
112554  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
112555  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
112556  s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
112557  s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
112558  s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
112559  s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
112560  s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
112561  s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
112562  s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
112563  s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
112564  s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
112565  s_r(4, 1, 4) = s_r(4, 1, 4) + e_0_4_1*(1)*s_r_t2_4 ! cost: 5 flops
112566  s_r(4, 1, 4) = s_r(4, 1, 4) + e_1_4_1*(1)*s_r_t2_5 ! cost: 5 flops
112567  s_r(4, 1, 4) = s_r(4, 1, 4) + e_2_4_1*(1)*s_r_t2_6 ! cost: 5 flops
112568  s_r(4, 1, 4) = s_r(4, 1, 4) + e_3_4_1*(1)*s_r_t2_7 ! cost: 5 flops
112569  s_r(4, 1, 4) = s_r(4, 1, 4) + e_4_4_1*(1)*s_r_t2_8 ! cost: 5 flops
112570  s_r(4, 1, 4) = s_r(4, 1, 4) + e_5_4_1*(1)*s_r_t2_9 ! cost: 5 flops
112571  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
112572  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
112573  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
112574  s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
112575  s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
112576  s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
112577  s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
112578  s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
112579  s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
112580  s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
112581  s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
112582  s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
112583  s_r(3, 2, 4) = s_r(3, 2, 4) + e_0_3_2*(1)*s_r_t2_4 ! cost: 5 flops
112584  s_r(3, 2, 4) = s_r(3, 2, 4) + e_1_3_2*(1)*s_r_t2_5 ! cost: 5 flops
112585  s_r(3, 2, 4) = s_r(3, 2, 4) + e_2_3_2*(1)*s_r_t2_6 ! cost: 5 flops
112586  s_r(3, 2, 4) = s_r(3, 2, 4) + e_3_3_2*(1)*s_r_t2_7 ! cost: 5 flops
112587  s_r(3, 2, 4) = s_r(3, 2, 4) + e_4_3_2*(1)*s_r_t2_8 ! cost: 5 flops
112588  s_r(3, 2, 4) = s_r(3, 2, 4) + e_5_3_2*(1)*s_r_t2_9 ! cost: 5 flops
112589  s_r(4, 2, 4) = s_r(4, 2, 4) + e_0_4_2*(1)*s_r_t2_4 ! cost: 5 flops
112590  s_r(4, 2, 4) = s_r(4, 2, 4) + e_1_4_2*(1)*s_r_t2_5 ! cost: 5 flops
112591  s_r(4, 2, 4) = s_r(4, 2, 4) + e_2_4_2*(1)*s_r_t2_6 ! cost: 5 flops
112592  s_r(4, 2, 4) = s_r(4, 2, 4) + e_3_4_2*(1)*s_r_t2_7 ! cost: 5 flops
112593  s_r(4, 2, 4) = s_r(4, 2, 4) + e_4_4_2*(1)*s_r_t2_8 ! cost: 5 flops
112594  s_r(4, 2, 4) = s_r(4, 2, 4) + e_5_4_2*(1)*s_r_t2_9 ! cost: 5 flops
112595  s_r(4, 2, 4) = s_r(4, 2, 4) + e_6_4_2*(1)*s_r_t2_10 ! cost: 5 flops
112596  s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
112597  s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
112598  s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
112599  s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
112600  s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
112601  s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
112602  s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
112603  s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
112604  s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
112605  s_r(2, 3, 4) = s_r(2, 3, 4) + e_0_2_3*(1)*s_r_t2_4 ! cost: 5 flops
112606  s_r(2, 3, 4) = s_r(2, 3, 4) + e_1_2_3*(1)*s_r_t2_5 ! cost: 5 flops
112607  s_r(2, 3, 4) = s_r(2, 3, 4) + e_2_2_3*(1)*s_r_t2_6 ! cost: 5 flops
112608  s_r(2, 3, 4) = s_r(2, 3, 4) + e_3_2_3*(1)*s_r_t2_7 ! cost: 5 flops
112609  s_r(2, 3, 4) = s_r(2, 3, 4) + e_4_2_3*(1)*s_r_t2_8 ! cost: 5 flops
112610  s_r(2, 3, 4) = s_r(2, 3, 4) + e_5_2_3*(1)*s_r_t2_9 ! cost: 5 flops
112611  s_r(3, 3, 4) = s_r(3, 3, 4) + e_0_3_3*(1)*s_r_t2_4 ! cost: 5 flops
112612  s_r(3, 3, 4) = s_r(3, 3, 4) + e_1_3_3*(1)*s_r_t2_5 ! cost: 5 flops
112613  s_r(3, 3, 4) = s_r(3, 3, 4) + e_2_3_3*(1)*s_r_t2_6 ! cost: 5 flops
112614  s_r(3, 3, 4) = s_r(3, 3, 4) + e_3_3_3*(1)*s_r_t2_7 ! cost: 5 flops
112615  s_r(3, 3, 4) = s_r(3, 3, 4) + e_4_3_3*(1)*s_r_t2_8 ! cost: 5 flops
112616  s_r(3, 3, 4) = s_r(3, 3, 4) + e_5_3_3*(1)*s_r_t2_9 ! cost: 5 flops
112617  s_r(3, 3, 4) = s_r(3, 3, 4) + e_6_3_3*(1)*s_r_t2_10 ! cost: 5 flops
112618  s_r(4, 3, 4) = s_r(4, 3, 4) + e_0_4_3*(1)*s_r_t2_4 ! cost: 5 flops
112619  s_r(4, 3, 4) = s_r(4, 3, 4) + e_1_4_3*(1)*s_r_t2_5 ! cost: 5 flops
112620  s_r(4, 3, 4) = s_r(4, 3, 4) + e_2_4_3*(1)*s_r_t2_6 ! cost: 5 flops
112621  s_r(4, 3, 4) = s_r(4, 3, 4) + e_3_4_3*(1)*s_r_t2_7 ! cost: 5 flops
112622  s_r(4, 3, 4) = s_r(4, 3, 4) + e_4_4_3*(1)*s_r_t2_8 ! cost: 5 flops
112623  s_r(4, 3, 4) = s_r(4, 3, 4) + e_5_4_3*(1)*s_r_t2_9 ! cost: 5 flops
112624  s_r(4, 3, 4) = s_r(4, 3, 4) + e_6_4_3*(1)*s_r_t2_10 ! cost: 5 flops
112625  s_r(4, 3, 4) = s_r(4, 3, 4) + e_7_4_3*(1)*s_r_t2_11 ! cost: 5 flops
112626  r1 = r1 + dr
112627  END DO
112628 
112629  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
112630  END SUBROUTINE
112631  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_4_0_exp_1 ( &
112632  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
112633  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
112634  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
112635  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
112636  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
112637  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
112638  r_pow_t, r_tmp, rr1_delta, rr2_delta
112639 
112640  REAL(kind=dp) :: c1, c2, c3
112641  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8
112642  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8
112643  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
112644  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
112645  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
112646  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
112647  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8
112648  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
112649  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
112650  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
112651  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
112652  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
112653  & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
112654  & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3,&
112655  & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
112656  & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4,&
112657  & e_0_4_4, e_1_4_4, e_2_4_4, e_3_4_4, e_4_4_4, e_5_4_4, e_6_4_4, e_7_4_4, e_8_4_4
112658 
112659  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
112660 
112661  dr = lgth
112662  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
112663 
112664  s_r(:, :, :) = 0.0_dp
112665 
112666  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
112667 
112668  h_to_c_0_0 = sqrt(alpha/pi)
112669 
112670  h_to_c_0_1 = 0.0_dp
112671  h_to_c_1_1 = +2*alpha*h_to_c_0_0
112672  h_to_c_0_2 = -1*h_to_c_1_1
112673  h_to_c_1_2 = +2*alpha*h_to_c_0_1
112674  h_to_c_2_2 = +2*alpha*h_to_c_1_1
112675  h_to_c_0_3 = -1*h_to_c_1_2
112676  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
112677  h_to_c_2_3 = +2*alpha*h_to_c_1_2
112678  h_to_c_3_3 = +2*alpha*h_to_c_2_2
112679  h_to_c_0_4 = -1*h_to_c_1_3
112680  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
112681  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
112682  h_to_c_3_4 = +2*alpha*h_to_c_2_3
112683  h_to_c_4_4 = +2*alpha*h_to_c_3_3
112684  h_to_c_0_5 = -1*h_to_c_1_4
112685  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
112686  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
112687  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
112688  h_to_c_4_5 = +2*alpha*h_to_c_3_4
112689  h_to_c_5_5 = +2*alpha*h_to_c_4_4
112690  h_to_c_0_6 = -1*h_to_c_1_5
112691  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
112692  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
112693  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
112694  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
112695  h_to_c_5_6 = +2*alpha*h_to_c_4_5
112696  h_to_c_6_6 = +2*alpha*h_to_c_5_5
112697  h_to_c_0_7 = -1*h_to_c_1_6
112698  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
112699  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
112700  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
112701  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
112702  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
112703  h_to_c_6_7 = +2*alpha*h_to_c_5_6
112704  h_to_c_7_7 = +2*alpha*h_to_c_6_6
112705  h_to_c_0_8 = -1*h_to_c_1_7
112706  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
112707  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
112708  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
112709  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
112710  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
112711  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
112712  h_to_c_7_8 = +2*alpha*h_to_c_6_7
112713  h_to_c_8_8 = +2*alpha*h_to_c_7_7
112714 
112715  exp_drsq = exp(-alpha*dr*dr)
112716  exp_2drsq = exp_drsq*exp_drsq
112717 
112718  rr1_delta = (ra - rb)/dr
112719 
112720  rr1_l = ceiling(-r_c(1) + rr1_delta)
112721  rr1_r = floor(r_c(1) + rr1_delta)
112722 
112723  r1 = rr1_l*dr
112724 
112725  alpha_e = zeta*zetb/(zeta + zetb)
112726 
112727  DO rr1 = rr1_l, rr1_r
112728  s_r_t_0 = 0.0_dp
112729  s_r_t2_0 = 0.0_dp
112730  s_r_t_1 = 0.0_dp
112731  s_r_t2_1 = 0.0_dp
112732  s_r_t_2 = 0.0_dp
112733  s_r_t2_2 = 0.0_dp
112734  s_r_t_3 = 0.0_dp
112735  s_r_t2_3 = 0.0_dp
112736  s_r_t_4 = 0.0_dp
112737  s_r_t2_4 = 0.0_dp
112738  s_r_t_5 = 0.0_dp
112739  s_r_t2_5 = 0.0_dp
112740  s_r_t_6 = 0.0_dp
112741  s_r_t2_6 = 0.0_dp
112742  s_r_t_7 = 0.0_dp
112743  s_r_t2_7 = 0.0_dp
112744  s_r_t_8 = 0.0_dp
112745  s_r_t2_8 = 0.0_dp
112746  r_tmp = r_offset + r1*zeta/(zeta + zetb)
112747  rr2_delta = -r_tmp/dr
112748 
112749  rr2_l = ceiling(-r_c(2) + rr2_delta)
112750  rr2_r = floor(r_c(2) + rr2_delta)
112751 
112752  r = r_tmp + (rr2_l)*dr
112753 
112754  exp2_2rdr = exp(-2*alpha*r*dr)
112755  exp2_rsq = exp(-alpha*r*r)
112756 
112757  DO rr2 = rr2_l, rr2_r
112758  r_pow_t = 1.0_dp
112759  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
112760  r_pow_t = r_pow_t*r
112761  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
112762  r_pow_t = r_pow_t*r
112763  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
112764  r_pow_t = r_pow_t*r
112765  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
112766  r_pow_t = r_pow_t*r
112767  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
112768  r_pow_t = r_pow_t*r
112769  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
112770  r_pow_t = r_pow_t*r
112771  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
112772  r_pow_t = r_pow_t*r
112773  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
112774  r_pow_t = r_pow_t*r
112775  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
112776 
112777  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
112778  exp2_2rdr = exp2_2rdr*exp_2drsq
112779  r = r + dr
112780  END DO
112781 
112782  ! C --> H
112783  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
112784  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
112785  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
112786  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
112787  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
112788  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
112789  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
112790  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
112791  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
112792  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
112793  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
112794  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
112795  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
112796  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
112797  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
112798  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
112799  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
112800  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
112801  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
112802  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
112803  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
112804  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
112805  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
112806  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
112807  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
112808  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
112809  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
112810  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
112811  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
112812  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
112813  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
112814  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
112815  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
112816  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
112817  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
112818  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
112819  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
112820  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
112821  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
112822  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
112823  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
112824  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
112825  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
112826  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
112827  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
112828 
112829  ! H --> HH
112830  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
112831 
112832  c1 = 1.0_dp/(zeta + zetb)
112833  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
112834  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
112835 
112836  e_0_1_0 = zeta*( &
112837  +c2*e_0_0_0&
112838 
112839  )
112840  e_0_0_1 = zetb*( &
112841  +c3*e_0_0_0&
112842 
112843  )
112844  e_1_1_0 = zeta*( c1*e_0_0_0 &
112845 
112846 
112847  )
112848  e_1_0_1 = zetb*( c1*e_0_0_0 &
112849 
112850 
112851  )
112852  e_0_2_0 = zeta*( &
112853  +c2*e_0_1_0&
112854  +2*e_1_1_0 &
112855  -2*e_0_0_0)
112856  e_0_1_1 = zetb*( &
112857  +c3*e_0_1_0&
112858  +2*e_1_1_0 &
112859  )
112860  e_1_2_0 = zeta*( c1*e_0_1_0 &
112861  +c2*e_1_1_0&
112862 
112863  )
112864  e_1_1_1 = zetb*( c1*e_0_1_0 &
112865  +c3*e_1_1_0&
112866 
112867  )
112868  e_2_2_0 = zeta*( c1*e_1_1_0 &
112869 
112870 
112871  )
112872  e_2_1_1 = zetb*( c1*e_1_1_0 &
112873 
112874 
112875  )
112876  e_0_3_0 = zeta*( &
112877  +c2*e_0_2_0&
112878  +2*e_1_2_0 &
112879  -4*e_0_1_0)
112880  e_0_2_1 = zetb*( &
112881  +c3*e_0_2_0&
112882  +2*e_1_2_0 &
112883  )
112884  e_1_3_0 = zeta*( c1*e_0_2_0 &
112885  +c2*e_1_2_0&
112886  +4*e_2_2_0 &
112887  -4*e_1_1_0)
112888  e_1_2_1 = zetb*( c1*e_0_2_0 &
112889  +c3*e_1_2_0&
112890  +4*e_2_2_0 &
112891  )
112892  e_2_3_0 = zeta*( c1*e_1_2_0 &
112893  +c2*e_2_2_0&
112894 
112895  )
112896  e_2_2_1 = zetb*( c1*e_1_2_0 &
112897  +c3*e_2_2_0&
112898 
112899  )
112900  e_3_3_0 = zeta*( c1*e_2_2_0 &
112901 
112902 
112903  )
112904  e_3_2_1 = zetb*( c1*e_2_2_0 &
112905 
112906 
112907  )
112908  e_0_4_0 = zeta*( &
112909  +c2*e_0_3_0&
112910  +2*e_1_3_0 &
112911  -6*e_0_2_0)
112912  e_0_3_1 = zetb*( &
112913  +c3*e_0_3_0&
112914  +2*e_1_3_0 &
112915  )
112916  e_1_4_0 = zeta*( c1*e_0_3_0 &
112917  +c2*e_1_3_0&
112918  +4*e_2_3_0 &
112919  -6*e_1_2_0)
112920  e_1_3_1 = zetb*( c1*e_0_3_0 &
112921  +c3*e_1_3_0&
112922  +4*e_2_3_0 &
112923  )
112924  e_2_4_0 = zeta*( c1*e_1_3_0 &
112925  +c2*e_2_3_0&
112926  +6*e_3_3_0 &
112927  -6*e_2_2_0)
112928  e_2_3_1 = zetb*( c1*e_1_3_0 &
112929  +c3*e_2_3_0&
112930  +6*e_3_3_0 &
112931  )
112932  e_3_4_0 = zeta*( c1*e_2_3_0 &
112933  +c2*e_3_3_0&
112934 
112935  )
112936  e_3_3_1 = zetb*( c1*e_2_3_0 &
112937  +c3*e_3_3_0&
112938 
112939  )
112940  e_4_4_0 = zeta*( c1*e_3_3_0 &
112941 
112942 
112943  )
112944  e_4_3_1 = zetb*( c1*e_3_3_0 &
112945 
112946 
112947  )
112948  e_0_4_1 = zetb*( &
112949  +c3*e_0_4_0&
112950  +2*e_1_4_0 &
112951  )
112952  e_1_4_1 = zetb*( c1*e_0_4_0 &
112953  +c3*e_1_4_0&
112954  +4*e_2_4_0 &
112955  )
112956  e_2_4_1 = zetb*( c1*e_1_4_0 &
112957  +c3*e_2_4_0&
112958  +6*e_3_4_0 &
112959  )
112960  e_3_4_1 = zetb*( c1*e_2_4_0 &
112961  +c3*e_3_4_0&
112962  +8*e_4_4_0 &
112963  )
112964  e_4_4_1 = zetb*( c1*e_3_4_0 &
112965  +c3*e_4_4_0&
112966 
112967  )
112968  e_5_4_1 = zetb*( c1*e_4_4_0 &
112969 
112970 
112971  )
112972  e_0_1_1 = zeta*( &
112973  +c2*e_0_0_1&
112974  +2*e_1_0_1 &
112975  )
112976  e_0_0_2 = zetb*( &
112977  +c3*e_0_0_1&
112978  +2*e_1_0_1 &
112979  -2*e_0_0_0)
112980  e_1_1_1 = zeta*( c1*e_0_0_1 &
112981  +c2*e_1_0_1&
112982 
112983  )
112984  e_1_0_2 = zetb*( c1*e_0_0_1 &
112985  +c3*e_1_0_1&
112986 
112987  )
112988  e_2_1_1 = zeta*( c1*e_1_0_1 &
112989 
112990 
112991  )
112992  e_2_0_2 = zetb*( c1*e_1_0_1 &
112993 
112994 
112995  )
112996  e_0_2_1 = zeta*( &
112997  +c2*e_0_1_1&
112998  +2*e_1_1_1 &
112999  -2*e_0_0_1)
113000  e_0_1_2 = zetb*( &
113001  +c3*e_0_1_1&
113002  +2*e_1_1_1 &
113003  -2*e_0_1_0)
113004  e_1_2_1 = zeta*( c1*e_0_1_1 &
113005  +c2*e_1_1_1&
113006  +4*e_2_1_1 &
113007  -2*e_1_0_1)
113008  e_1_1_2 = zetb*( c1*e_0_1_1 &
113009  +c3*e_1_1_1&
113010  +4*e_2_1_1 &
113011  -2*e_1_1_0)
113012  e_2_2_1 = zeta*( c1*e_1_1_1 &
113013  +c2*e_2_1_1&
113014 
113015  )
113016  e_2_1_2 = zetb*( c1*e_1_1_1 &
113017  +c3*e_2_1_1&
113018 
113019  )
113020  e_3_2_1 = zeta*( c1*e_2_1_1 &
113021 
113022 
113023  )
113024  e_3_1_2 = zetb*( c1*e_2_1_1 &
113025 
113026 
113027  )
113028  e_0_3_1 = zeta*( &
113029  +c2*e_0_2_1&
113030  +2*e_1_2_1 &
113031  -4*e_0_1_1)
113032  e_0_2_2 = zetb*( &
113033  +c3*e_0_2_1&
113034  +2*e_1_2_1 &
113035  -2*e_0_2_0)
113036  e_1_3_1 = zeta*( c1*e_0_2_1 &
113037  +c2*e_1_2_1&
113038  +4*e_2_2_1 &
113039  -4*e_1_1_1)
113040  e_1_2_2 = zetb*( c1*e_0_2_1 &
113041  +c3*e_1_2_1&
113042  +4*e_2_2_1 &
113043  -2*e_1_2_0)
113044  e_2_3_1 = zeta*( c1*e_1_2_1 &
113045  +c2*e_2_2_1&
113046  +6*e_3_2_1 &
113047  -4*e_2_1_1)
113048  e_2_2_2 = zetb*( c1*e_1_2_1 &
113049  +c3*e_2_2_1&
113050  +6*e_3_2_1 &
113051  -2*e_2_2_0)
113052  e_3_3_1 = zeta*( c1*e_2_2_1 &
113053  +c2*e_3_2_1&
113054 
113055  )
113056  e_3_2_2 = zetb*( c1*e_2_2_1 &
113057  +c3*e_3_2_1&
113058 
113059  )
113060  e_4_3_1 = zeta*( c1*e_3_2_1 &
113061 
113062 
113063  )
113064  e_4_2_2 = zetb*( c1*e_3_2_1 &
113065 
113066 
113067  )
113068  e_0_4_1 = zeta*( &
113069  +c2*e_0_3_1&
113070  +2*e_1_3_1 &
113071  -6*e_0_2_1)
113072  e_0_3_2 = zetb*( &
113073  +c3*e_0_3_1&
113074  +2*e_1_3_1 &
113075  -2*e_0_3_0)
113076  e_1_4_1 = zeta*( c1*e_0_3_1 &
113077  +c2*e_1_3_1&
113078  +4*e_2_3_1 &
113079  -6*e_1_2_1)
113080  e_1_3_2 = zetb*( c1*e_0_3_1 &
113081  +c3*e_1_3_1&
113082  +4*e_2_3_1 &
113083  -2*e_1_3_0)
113084  e_2_4_1 = zeta*( c1*e_1_3_1 &
113085  +c2*e_2_3_1&
113086  +6*e_3_3_1 &
113087  -6*e_2_2_1)
113088  e_2_3_2 = zetb*( c1*e_1_3_1 &
113089  +c3*e_2_3_1&
113090  +6*e_3_3_1 &
113091  -2*e_2_3_0)
113092  e_3_4_1 = zeta*( c1*e_2_3_1 &
113093  +c2*e_3_3_1&
113094  +8*e_4_3_1 &
113095  -6*e_3_2_1)
113096  e_3_3_2 = zetb*( c1*e_2_3_1 &
113097  +c3*e_3_3_1&
113098  +8*e_4_3_1 &
113099  -2*e_3_3_0)
113100  e_4_4_1 = zeta*( c1*e_3_3_1 &
113101  +c2*e_4_3_1&
113102 
113103  )
113104  e_4_3_2 = zetb*( c1*e_3_3_1 &
113105  +c3*e_4_3_1&
113106 
113107  )
113108  e_5_4_1 = zeta*( c1*e_4_3_1 &
113109 
113110 
113111  )
113112  e_5_3_2 = zetb*( c1*e_4_3_1 &
113113 
113114 
113115  )
113116  e_0_4_2 = zetb*( &
113117  +c3*e_0_4_1&
113118  +2*e_1_4_1 &
113119  -2*e_0_4_0)
113120  e_1_4_2 = zetb*( c1*e_0_4_1 &
113121  +c3*e_1_4_1&
113122  +4*e_2_4_1 &
113123  -2*e_1_4_0)
113124  e_2_4_2 = zetb*( c1*e_1_4_1 &
113125  +c3*e_2_4_1&
113126  +6*e_3_4_1 &
113127  -2*e_2_4_0)
113128  e_3_4_2 = zetb*( c1*e_2_4_1 &
113129  +c3*e_3_4_1&
113130  +8*e_4_4_1 &
113131  -2*e_3_4_0)
113132  e_4_4_2 = zetb*( c1*e_3_4_1 &
113133  +c3*e_4_4_1&
113134  +10*e_5_4_1 &
113135  -2*e_4_4_0)
113136  e_5_4_2 = zetb*( c1*e_4_4_1 &
113137  +c3*e_5_4_1&
113138 
113139  )
113140  e_6_4_2 = zetb*( c1*e_5_4_1 &
113141 
113142 
113143  )
113144  e_0_1_2 = zeta*( &
113145  +c2*e_0_0_2&
113146  +2*e_1_0_2 &
113147  )
113148  e_0_0_3 = zetb*( &
113149  +c3*e_0_0_2&
113150  +2*e_1_0_2 &
113151  -4*e_0_0_1)
113152  e_1_1_2 = zeta*( c1*e_0_0_2 &
113153  +c2*e_1_0_2&
113154  +4*e_2_0_2 &
113155  )
113156  e_1_0_3 = zetb*( c1*e_0_0_2 &
113157  +c3*e_1_0_2&
113158  +4*e_2_0_2 &
113159  -4*e_1_0_1)
113160  e_2_1_2 = zeta*( c1*e_1_0_2 &
113161  +c2*e_2_0_2&
113162 
113163  )
113164  e_2_0_3 = zetb*( c1*e_1_0_2 &
113165  +c3*e_2_0_2&
113166 
113167  )
113168  e_3_1_2 = zeta*( c1*e_2_0_2 &
113169 
113170 
113171  )
113172  e_3_0_3 = zetb*( c1*e_2_0_2 &
113173 
113174 
113175  )
113176  e_0_2_2 = zeta*( &
113177  +c2*e_0_1_2&
113178  +2*e_1_1_2 &
113179  -2*e_0_0_2)
113180  e_0_1_3 = zetb*( &
113181  +c3*e_0_1_2&
113182  +2*e_1_1_2 &
113183  -4*e_0_1_1)
113184  e_1_2_2 = zeta*( c1*e_0_1_2 &
113185  +c2*e_1_1_2&
113186  +4*e_2_1_2 &
113187  -2*e_1_0_2)
113188  e_1_1_3 = zetb*( c1*e_0_1_2 &
113189  +c3*e_1_1_2&
113190  +4*e_2_1_2 &
113191  -4*e_1_1_1)
113192  e_2_2_2 = zeta*( c1*e_1_1_2 &
113193  +c2*e_2_1_2&
113194  +6*e_3_1_2 &
113195  -2*e_2_0_2)
113196  e_2_1_3 = zetb*( c1*e_1_1_2 &
113197  +c3*e_2_1_2&
113198  +6*e_3_1_2 &
113199  -4*e_2_1_1)
113200  e_3_2_2 = zeta*( c1*e_2_1_2 &
113201  +c2*e_3_1_2&
113202 
113203  )
113204  e_3_1_3 = zetb*( c1*e_2_1_2 &
113205  +c3*e_3_1_2&
113206 
113207  )
113208  e_4_2_2 = zeta*( c1*e_3_1_2 &
113209 
113210 
113211  )
113212  e_4_1_3 = zetb*( c1*e_3_1_2 &
113213 
113214 
113215  )
113216  e_0_3_2 = zeta*( &
113217  +c2*e_0_2_2&
113218  +2*e_1_2_2 &
113219  -4*e_0_1_2)
113220  e_0_2_3 = zetb*( &
113221  +c3*e_0_2_2&
113222  +2*e_1_2_2 &
113223  -4*e_0_2_1)
113224  e_1_3_2 = zeta*( c1*e_0_2_2 &
113225  +c2*e_1_2_2&
113226  +4*e_2_2_2 &
113227  -4*e_1_1_2)
113228  e_1_2_3 = zetb*( c1*e_0_2_2 &
113229  +c3*e_1_2_2&
113230  +4*e_2_2_2 &
113231  -4*e_1_2_1)
113232  e_2_3_2 = zeta*( c1*e_1_2_2 &
113233  +c2*e_2_2_2&
113234  +6*e_3_2_2 &
113235  -4*e_2_1_2)
113236  e_2_2_3 = zetb*( c1*e_1_2_2 &
113237  +c3*e_2_2_2&
113238  +6*e_3_2_2 &
113239  -4*e_2_2_1)
113240  e_3_3_2 = zeta*( c1*e_2_2_2 &
113241  +c2*e_3_2_2&
113242  +8*e_4_2_2 &
113243  -4*e_3_1_2)
113244  e_3_2_3 = zetb*( c1*e_2_2_2 &
113245  +c3*e_3_2_2&
113246  +8*e_4_2_2 &
113247  -4*e_3_2_1)
113248  e_4_3_2 = zeta*( c1*e_3_2_2 &
113249  +c2*e_4_2_2&
113250 
113251  )
113252  e_4_2_3 = zetb*( c1*e_3_2_2 &
113253  +c3*e_4_2_2&
113254 
113255  )
113256  e_5_3_2 = zeta*( c1*e_4_2_2 &
113257 
113258 
113259  )
113260  e_5_2_3 = zetb*( c1*e_4_2_2 &
113261 
113262 
113263  )
113264  e_0_4_2 = zeta*( &
113265  +c2*e_0_3_2&
113266  +2*e_1_3_2 &
113267  -6*e_0_2_2)
113268  e_0_3_3 = zetb*( &
113269  +c3*e_0_3_2&
113270  +2*e_1_3_2 &
113271  -4*e_0_3_1)
113272  e_1_4_2 = zeta*( c1*e_0_3_2 &
113273  +c2*e_1_3_2&
113274  +4*e_2_3_2 &
113275  -6*e_1_2_2)
113276  e_1_3_3 = zetb*( c1*e_0_3_2 &
113277  +c3*e_1_3_2&
113278  +4*e_2_3_2 &
113279  -4*e_1_3_1)
113280  e_2_4_2 = zeta*( c1*e_1_3_2 &
113281  +c2*e_2_3_2&
113282  +6*e_3_3_2 &
113283  -6*e_2_2_2)
113284  e_2_3_3 = zetb*( c1*e_1_3_2 &
113285  +c3*e_2_3_2&
113286  +6*e_3_3_2 &
113287  -4*e_2_3_1)
113288  e_3_4_2 = zeta*( c1*e_2_3_2 &
113289  +c2*e_3_3_2&
113290  +8*e_4_3_2 &
113291  -6*e_3_2_2)
113292  e_3_3_3 = zetb*( c1*e_2_3_2 &
113293  +c3*e_3_3_2&
113294  +8*e_4_3_2 &
113295  -4*e_3_3_1)
113296  e_4_4_2 = zeta*( c1*e_3_3_2 &
113297  +c2*e_4_3_2&
113298  +10*e_5_3_2 &
113299  -6*e_4_2_2)
113300  e_4_3_3 = zetb*( c1*e_3_3_2 &
113301  +c3*e_4_3_2&
113302  +10*e_5_3_2 &
113303  -4*e_4_3_1)
113304  e_5_4_2 = zeta*( c1*e_4_3_2 &
113305  +c2*e_5_3_2&
113306 
113307  )
113308  e_5_3_3 = zetb*( c1*e_4_3_2 &
113309  +c3*e_5_3_2&
113310 
113311  )
113312  e_6_4_2 = zeta*( c1*e_5_3_2 &
113313 
113314 
113315  )
113316  e_6_3_3 = zetb*( c1*e_5_3_2 &
113317 
113318 
113319  )
113320  e_0_4_3 = zetb*( &
113321  +c3*e_0_4_2&
113322  +2*e_1_4_2 &
113323  -4*e_0_4_1)
113324  e_1_4_3 = zetb*( c1*e_0_4_2 &
113325  +c3*e_1_4_2&
113326  +4*e_2_4_2 &
113327  -4*e_1_4_1)
113328  e_2_4_3 = zetb*( c1*e_1_4_2 &
113329  +c3*e_2_4_2&
113330  +6*e_3_4_2 &
113331  -4*e_2_4_1)
113332  e_3_4_3 = zetb*( c1*e_2_4_2 &
113333  +c3*e_3_4_2&
113334  +8*e_4_4_2 &
113335  -4*e_3_4_1)
113336  e_4_4_3 = zetb*( c1*e_3_4_2 &
113337  +c3*e_4_4_2&
113338  +10*e_5_4_2 &
113339  -4*e_4_4_1)
113340  e_5_4_3 = zetb*( c1*e_4_4_2 &
113341  +c3*e_5_4_2&
113342  +12*e_6_4_2 &
113343  -4*e_5_4_1)
113344  e_6_4_3 = zetb*( c1*e_5_4_2 &
113345  +c3*e_6_4_2&
113346 
113347  )
113348  e_7_4_3 = zetb*( c1*e_6_4_2 &
113349 
113350 
113351  )
113352  e_0_1_3 = zeta*( &
113353  +c2*e_0_0_3&
113354  +2*e_1_0_3 &
113355  )
113356  e_0_0_4 = zetb*( &
113357  +c3*e_0_0_3&
113358  +2*e_1_0_3 &
113359  -6*e_0_0_2)
113360  e_1_1_3 = zeta*( c1*e_0_0_3 &
113361  +c2*e_1_0_3&
113362  +4*e_2_0_3 &
113363  )
113364  e_1_0_4 = zetb*( c1*e_0_0_3 &
113365  +c3*e_1_0_3&
113366  +4*e_2_0_3 &
113367  -6*e_1_0_2)
113368  e_2_1_3 = zeta*( c1*e_1_0_3 &
113369  +c2*e_2_0_3&
113370  +6*e_3_0_3 &
113371  )
113372  e_2_0_4 = zetb*( c1*e_1_0_3 &
113373  +c3*e_2_0_3&
113374  +6*e_3_0_3 &
113375  -6*e_2_0_2)
113376  e_3_1_3 = zeta*( c1*e_2_0_3 &
113377  +c2*e_3_0_3&
113378 
113379  )
113380  e_3_0_4 = zetb*( c1*e_2_0_3 &
113381  +c3*e_3_0_3&
113382 
113383  )
113384  e_4_1_3 = zeta*( c1*e_3_0_3 &
113385 
113386 
113387  )
113388  e_4_0_4 = zetb*( c1*e_3_0_3 &
113389 
113390 
113391  )
113392  e_0_2_3 = zeta*( &
113393  +c2*e_0_1_3&
113394  +2*e_1_1_3 &
113395  -2*e_0_0_3)
113396  e_0_1_4 = zetb*( &
113397  +c3*e_0_1_3&
113398  +2*e_1_1_3 &
113399  -6*e_0_1_2)
113400  e_1_2_3 = zeta*( c1*e_0_1_3 &
113401  +c2*e_1_1_3&
113402  +4*e_2_1_3 &
113403  -2*e_1_0_3)
113404  e_1_1_4 = zetb*( c1*e_0_1_3 &
113405  +c3*e_1_1_3&
113406  +4*e_2_1_3 &
113407  -6*e_1_1_2)
113408  e_2_2_3 = zeta*( c1*e_1_1_3 &
113409  +c2*e_2_1_3&
113410  +6*e_3_1_3 &
113411  -2*e_2_0_3)
113412  e_2_1_4 = zetb*( c1*e_1_1_3 &
113413  +c3*e_2_1_3&
113414  +6*e_3_1_3 &
113415  -6*e_2_1_2)
113416  e_3_2_3 = zeta*( c1*e_2_1_3 &
113417  +c2*e_3_1_3&
113418  +8*e_4_1_3 &
113419  -2*e_3_0_3)
113420  e_3_1_4 = zetb*( c1*e_2_1_3 &
113421  +c3*e_3_1_3&
113422  +8*e_4_1_3 &
113423  -6*e_3_1_2)
113424  e_4_2_3 = zeta*( c1*e_3_1_3 &
113425  +c2*e_4_1_3&
113426 
113427  )
113428  e_4_1_4 = zetb*( c1*e_3_1_3 &
113429  +c3*e_4_1_3&
113430 
113431  )
113432  e_5_2_3 = zeta*( c1*e_4_1_3 &
113433 
113434 
113435  )
113436  e_5_1_4 = zetb*( c1*e_4_1_3 &
113437 
113438 
113439  )
113440  e_0_3_3 = zeta*( &
113441  +c2*e_0_2_3&
113442  +2*e_1_2_3 &
113443  -4*e_0_1_3)
113444  e_0_2_4 = zetb*( &
113445  +c3*e_0_2_3&
113446  +2*e_1_2_3 &
113447  -6*e_0_2_2)
113448  e_1_3_3 = zeta*( c1*e_0_2_3 &
113449  +c2*e_1_2_3&
113450  +4*e_2_2_3 &
113451  -4*e_1_1_3)
113452  e_1_2_4 = zetb*( c1*e_0_2_3 &
113453  +c3*e_1_2_3&
113454  +4*e_2_2_3 &
113455  -6*e_1_2_2)
113456  e_2_3_3 = zeta*( c1*e_1_2_3 &
113457  +c2*e_2_2_3&
113458  +6*e_3_2_3 &
113459  -4*e_2_1_3)
113460  e_2_2_4 = zetb*( c1*e_1_2_3 &
113461  +c3*e_2_2_3&
113462  +6*e_3_2_3 &
113463  -6*e_2_2_2)
113464  e_3_3_3 = zeta*( c1*e_2_2_3 &
113465  +c2*e_3_2_3&
113466  +8*e_4_2_3 &
113467  -4*e_3_1_3)
113468  e_3_2_4 = zetb*( c1*e_2_2_3 &
113469  +c3*e_3_2_3&
113470  +8*e_4_2_3 &
113471  -6*e_3_2_2)
113472  e_4_3_3 = zeta*( c1*e_3_2_3 &
113473  +c2*e_4_2_3&
113474  +10*e_5_2_3 &
113475  -4*e_4_1_3)
113476  e_4_2_4 = zetb*( c1*e_3_2_3 &
113477  +c3*e_4_2_3&
113478  +10*e_5_2_3 &
113479  -6*e_4_2_2)
113480  e_5_3_3 = zeta*( c1*e_4_2_3 &
113481  +c2*e_5_2_3&
113482 
113483  )
113484  e_5_2_4 = zetb*( c1*e_4_2_3 &
113485  +c3*e_5_2_3&
113486 
113487  )
113488  e_6_3_3 = zeta*( c1*e_5_2_3 &
113489 
113490 
113491  )
113492  e_6_2_4 = zetb*( c1*e_5_2_3 &
113493 
113494 
113495  )
113496  e_0_4_3 = zeta*( &
113497  +c2*e_0_3_3&
113498  +2*e_1_3_3 &
113499  -6*e_0_2_3)
113500  e_0_3_4 = zetb*( &
113501  +c3*e_0_3_3&
113502  +2*e_1_3_3 &
113503  -6*e_0_3_2)
113504  e_1_4_3 = zeta*( c1*e_0_3_3 &
113505  +c2*e_1_3_3&
113506  +4*e_2_3_3 &
113507  -6*e_1_2_3)
113508  e_1_3_4 = zetb*( c1*e_0_3_3 &
113509  +c3*e_1_3_3&
113510  +4*e_2_3_3 &
113511  -6*e_1_3_2)
113512  e_2_4_3 = zeta*( c1*e_1_3_3 &
113513  +c2*e_2_3_3&
113514  +6*e_3_3_3 &
113515  -6*e_2_2_3)
113516  e_2_3_4 = zetb*( c1*e_1_3_3 &
113517  +c3*e_2_3_3&
113518  +6*e_3_3_3 &
113519  -6*e_2_3_2)
113520  e_3_4_3 = zeta*( c1*e_2_3_3 &
113521  +c2*e_3_3_3&
113522  +8*e_4_3_3 &
113523  -6*e_3_2_3)
113524  e_3_3_4 = zetb*( c1*e_2_3_3 &
113525  +c3*e_3_3_3&
113526  +8*e_4_3_3 &
113527  -6*e_3_3_2)
113528  e_4_4_3 = zeta*( c1*e_3_3_3 &
113529  +c2*e_4_3_3&
113530  +10*e_5_3_3 &
113531  -6*e_4_2_3)
113532  e_4_3_4 = zetb*( c1*e_3_3_3 &
113533  +c3*e_4_3_3&
113534  +10*e_5_3_3 &
113535  -6*e_4_3_2)
113536  e_5_4_3 = zeta*( c1*e_4_3_3 &
113537  +c2*e_5_3_3&
113538  +12*e_6_3_3 &
113539  -6*e_5_2_3)
113540  e_5_3_4 = zetb*( c1*e_4_3_3 &
113541  +c3*e_5_3_3&
113542  +12*e_6_3_3 &
113543  -6*e_5_3_2)
113544  e_6_4_3 = zeta*( c1*e_5_3_3 &
113545  +c2*e_6_3_3&
113546 
113547  )
113548  e_6_3_4 = zetb*( c1*e_5_3_3 &
113549  +c3*e_6_3_3&
113550 
113551  )
113552  e_7_4_3 = zeta*( c1*e_6_3_3 &
113553 
113554 
113555  )
113556  e_7_3_4 = zetb*( c1*e_6_3_3 &
113557 
113558 
113559  )
113560  e_0_4_4 = zetb*( &
113561  +c3*e_0_4_3&
113562  +2*e_1_4_3 &
113563  -6*e_0_4_2)
113564  e_1_4_4 = zetb*( c1*e_0_4_3 &
113565  +c3*e_1_4_3&
113566  +4*e_2_4_3 &
113567  -6*e_1_4_2)
113568  e_2_4_4 = zetb*( c1*e_1_4_3 &
113569  +c3*e_2_4_3&
113570  +6*e_3_4_3 &
113571  -6*e_2_4_2)
113572  e_3_4_4 = zetb*( c1*e_2_4_3 &
113573  +c3*e_3_4_3&
113574  +8*e_4_4_3 &
113575  -6*e_3_4_2)
113576  e_4_4_4 = zetb*( c1*e_3_4_3 &
113577  +c3*e_4_4_3&
113578  +10*e_5_4_3 &
113579  -6*e_4_4_2)
113580  e_5_4_4 = zetb*( c1*e_4_4_3 &
113581  +c3*e_5_4_3&
113582  +12*e_6_4_3 &
113583  -6*e_5_4_2)
113584  e_6_4_4 = zetb*( c1*e_5_4_3 &
113585  +c3*e_6_4_3&
113586  +14*e_7_4_3 &
113587  -6*e_6_4_2)
113588  e_7_4_4 = zetb*( c1*e_6_4_3 &
113589  +c3*e_7_4_3&
113590 
113591  )
113592  e_8_4_4 = zetb*( c1*e_7_4_3 &
113593 
113594 
113595  )
113596  e_0_1_4 = zeta*( &
113597  +c2*e_0_0_4&
113598  +2*e_1_0_4 &
113599  )
113600  e_1_1_4 = zeta*( c1*e_0_0_4 &
113601  +c2*e_1_0_4&
113602  +4*e_2_0_4 &
113603  )
113604  e_2_1_4 = zeta*( c1*e_1_0_4 &
113605  +c2*e_2_0_4&
113606  +6*e_3_0_4 &
113607  )
113608  e_3_1_4 = zeta*( c1*e_2_0_4 &
113609  +c2*e_3_0_4&
113610  +8*e_4_0_4 &
113611  )
113612  e_4_1_4 = zeta*( c1*e_3_0_4 &
113613  +c2*e_4_0_4&
113614 
113615  )
113616  e_5_1_4 = zeta*( c1*e_4_0_4 &
113617 
113618 
113619  )
113620  e_0_2_4 = zeta*( &
113621  +c2*e_0_1_4&
113622  +2*e_1_1_4 &
113623  -2*e_0_0_4)
113624  e_1_2_4 = zeta*( c1*e_0_1_4 &
113625  +c2*e_1_1_4&
113626  +4*e_2_1_4 &
113627  -2*e_1_0_4)
113628  e_2_2_4 = zeta*( c1*e_1_1_4 &
113629  +c2*e_2_1_4&
113630  +6*e_3_1_4 &
113631  -2*e_2_0_4)
113632  e_3_2_4 = zeta*( c1*e_2_1_4 &
113633  +c2*e_3_1_4&
113634  +8*e_4_1_4 &
113635  -2*e_3_0_4)
113636  e_4_2_4 = zeta*( c1*e_3_1_4 &
113637  +c2*e_4_1_4&
113638  +10*e_5_1_4 &
113639  -2*e_4_0_4)
113640  e_5_2_4 = zeta*( c1*e_4_1_4 &
113641  +c2*e_5_1_4&
113642 
113643  )
113644  e_6_2_4 = zeta*( c1*e_5_1_4 &
113645 
113646 
113647  )
113648  e_0_3_4 = zeta*( &
113649  +c2*e_0_2_4&
113650  +2*e_1_2_4 &
113651  -4*e_0_1_4)
113652  e_1_3_4 = zeta*( c1*e_0_2_4 &
113653  +c2*e_1_2_4&
113654  +4*e_2_2_4 &
113655  -4*e_1_1_4)
113656  e_2_3_4 = zeta*( c1*e_1_2_4 &
113657  +c2*e_2_2_4&
113658  +6*e_3_2_4 &
113659  -4*e_2_1_4)
113660  e_3_3_4 = zeta*( c1*e_2_2_4 &
113661  +c2*e_3_2_4&
113662  +8*e_4_2_4 &
113663  -4*e_3_1_4)
113664  e_4_3_4 = zeta*( c1*e_3_2_4 &
113665  +c2*e_4_2_4&
113666  +10*e_5_2_4 &
113667  -4*e_4_1_4)
113668  e_5_3_4 = zeta*( c1*e_4_2_4 &
113669  +c2*e_5_2_4&
113670  +12*e_6_2_4 &
113671  -4*e_5_1_4)
113672  e_6_3_4 = zeta*( c1*e_5_2_4 &
113673  +c2*e_6_2_4&
113674 
113675  )
113676  e_7_3_4 = zeta*( c1*e_6_2_4 &
113677 
113678 
113679  )
113680  e_0_4_4 = zeta*( &
113681  +c2*e_0_3_4&
113682  +2*e_1_3_4 &
113683  -6*e_0_2_4)
113684  e_1_4_4 = zeta*( c1*e_0_3_4 &
113685  +c2*e_1_3_4&
113686  +4*e_2_3_4 &
113687  -6*e_1_2_4)
113688  e_2_4_4 = zeta*( c1*e_1_3_4 &
113689  +c2*e_2_3_4&
113690  +6*e_3_3_4 &
113691  -6*e_2_2_4)
113692  e_3_4_4 = zeta*( c1*e_2_3_4 &
113693  +c2*e_3_3_4&
113694  +8*e_4_3_4 &
113695  -6*e_3_2_4)
113696  e_4_4_4 = zeta*( c1*e_3_3_4 &
113697  +c2*e_4_3_4&
113698  +10*e_5_3_4 &
113699  -6*e_4_2_4)
113700  e_5_4_4 = zeta*( c1*e_4_3_4 &
113701  +c2*e_5_3_4&
113702  +12*e_6_3_4 &
113703  -6*e_5_2_4)
113704  e_6_4_4 = zeta*( c1*e_5_3_4 &
113705  +c2*e_6_3_4&
113706  +14*e_7_3_4 &
113707  -6*e_6_2_4)
113708  e_7_4_4 = zeta*( c1*e_6_3_4 &
113709  +c2*e_7_3_4&
113710 
113711  )
113712  e_8_4_4 = zeta*( c1*e_7_3_4 &
113713 
113714 
113715  )
113716 
113717  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
113718  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
113719  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
113720  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
113721  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
113722  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
113723  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
113724  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
113725  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
113726  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
113727  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
113728  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
113729  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
113730  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
113731  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
113732  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
113733  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
113734  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
113735  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
113736  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
113737  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
113738  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
113739  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
113740  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
113741  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
113742  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
113743  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
113744  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
113745  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
113746  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
113747  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
113748  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
113749  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
113750  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
113751  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
113752  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
113753  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
113754  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
113755  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
113756  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
113757  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
113758  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
113759  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
113760  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
113761  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
113762  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
113763  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
113764  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
113765  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
113766  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
113767  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
113768  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
113769  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
113770  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
113771  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
113772  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
113773  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
113774  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
113775  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
113776  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
113777  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
113778  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
113779  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
113780  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
113781  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
113782  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
113783  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
113784  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
113785  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
113786  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
113787  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
113788  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
113789  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
113790  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
113791  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
113792  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
113793  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
113794  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
113795  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
113796  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
113797  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
113798  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
113799  s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
113800  s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
113801  s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
113802  s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
113803  s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
113804  s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
113805  s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
113806  s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
113807  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
113808  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
113809  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
113810  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
113811  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
113812  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
113813  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
113814  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
113815  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
113816  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
113817  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
113818  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
113819  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
113820  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
113821  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
113822  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
113823  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
113824  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
113825  s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
113826  s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
113827  s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
113828  s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
113829  s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
113830  s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
113831  s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
113832  s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
113833  s_r(4, 4, 0) = s_r(4, 4, 0) + e_0_4_4*(1)*s_r_t2_0 ! cost: 5 flops
113834  s_r(4, 4, 0) = s_r(4, 4, 0) + e_1_4_4*(1)*s_r_t2_1 ! cost: 5 flops
113835  s_r(4, 4, 0) = s_r(4, 4, 0) + e_2_4_4*(1)*s_r_t2_2 ! cost: 5 flops
113836  s_r(4, 4, 0) = s_r(4, 4, 0) + e_3_4_4*(1)*s_r_t2_3 ! cost: 5 flops
113837  s_r(4, 4, 0) = s_r(4, 4, 0) + e_4_4_4*(1)*s_r_t2_4 ! cost: 5 flops
113838  s_r(4, 4, 0) = s_r(4, 4, 0) + e_5_4_4*(1)*s_r_t2_5 ! cost: 5 flops
113839  s_r(4, 4, 0) = s_r(4, 4, 0) + e_6_4_4*(1)*s_r_t2_6 ! cost: 5 flops
113840  s_r(4, 4, 0) = s_r(4, 4, 0) + e_7_4_4*(1)*s_r_t2_7 ! cost: 5 flops
113841  s_r(4, 4, 0) = s_r(4, 4, 0) + e_8_4_4*(1)*s_r_t2_8 ! cost: 5 flops
113842  r1 = r1 + dr
113843  END DO
113844 
113845  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
113846  END SUBROUTINE
113847  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_4_1_exp_1 ( &
113848  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
113849  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
113850  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
113851  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
113852  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
113853  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
113854  r_pow_t, r_tmp, rr1_delta, rr2_delta
113855 
113856  REAL(kind=dp) :: c1, c2, c3
113857  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9
113858  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
113859  & s_r_t2_9
113860  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
113861  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
113862  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
113863  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
113864  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
113865  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9
113866  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
113867  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
113868  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
113869  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
113870  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
113871  & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
113872  & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3,&
113873  & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
113874  & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4,&
113875  & e_0_4_4, e_1_4_4, e_2_4_4, e_3_4_4, e_4_4_4, e_5_4_4, e_6_4_4, e_7_4_4, e_8_4_4
113876 
113877  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
113878 
113879  dr = lgth
113880  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
113881 
113882  s_r(:, :, :) = 0.0_dp
113883 
113884  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
113885 
113886  h_to_c_0_0 = sqrt(alpha/pi)
113887 
113888  h_to_c_0_1 = 0.0_dp
113889  h_to_c_1_1 = +2*alpha*h_to_c_0_0
113890  h_to_c_0_2 = -1*h_to_c_1_1
113891  h_to_c_1_2 = +2*alpha*h_to_c_0_1
113892  h_to_c_2_2 = +2*alpha*h_to_c_1_1
113893  h_to_c_0_3 = -1*h_to_c_1_2
113894  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
113895  h_to_c_2_3 = +2*alpha*h_to_c_1_2
113896  h_to_c_3_3 = +2*alpha*h_to_c_2_2
113897  h_to_c_0_4 = -1*h_to_c_1_3
113898  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
113899  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
113900  h_to_c_3_4 = +2*alpha*h_to_c_2_3
113901  h_to_c_4_4 = +2*alpha*h_to_c_3_3
113902  h_to_c_0_5 = -1*h_to_c_1_4
113903  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
113904  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
113905  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
113906  h_to_c_4_5 = +2*alpha*h_to_c_3_4
113907  h_to_c_5_5 = +2*alpha*h_to_c_4_4
113908  h_to_c_0_6 = -1*h_to_c_1_5
113909  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
113910  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
113911  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
113912  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
113913  h_to_c_5_6 = +2*alpha*h_to_c_4_5
113914  h_to_c_6_6 = +2*alpha*h_to_c_5_5
113915  h_to_c_0_7 = -1*h_to_c_1_6
113916  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
113917  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
113918  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
113919  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
113920  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
113921  h_to_c_6_7 = +2*alpha*h_to_c_5_6
113922  h_to_c_7_7 = +2*alpha*h_to_c_6_6
113923  h_to_c_0_8 = -1*h_to_c_1_7
113924  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
113925  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
113926  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
113927  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
113928  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
113929  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
113930  h_to_c_7_8 = +2*alpha*h_to_c_6_7
113931  h_to_c_8_8 = +2*alpha*h_to_c_7_7
113932  h_to_c_0_9 = -1*h_to_c_1_8
113933  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
113934  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
113935  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
113936  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
113937  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
113938  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
113939  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
113940  h_to_c_8_9 = +2*alpha*h_to_c_7_8
113941  h_to_c_9_9 = +2*alpha*h_to_c_8_8
113942 
113943  exp_drsq = exp(-alpha*dr*dr)
113944  exp_2drsq = exp_drsq*exp_drsq
113945 
113946  rr1_delta = (ra - rb)/dr
113947 
113948  rr1_l = ceiling(-r_c(1) + rr1_delta)
113949  rr1_r = floor(r_c(1) + rr1_delta)
113950 
113951  r1 = rr1_l*dr
113952 
113953  alpha_e = zeta*zetb/(zeta + zetb)
113954 
113955  DO rr1 = rr1_l, rr1_r
113956  s_r_t_0 = 0.0_dp
113957  s_r_t2_0 = 0.0_dp
113958  s_r_t_1 = 0.0_dp
113959  s_r_t2_1 = 0.0_dp
113960  s_r_t_2 = 0.0_dp
113961  s_r_t2_2 = 0.0_dp
113962  s_r_t_3 = 0.0_dp
113963  s_r_t2_3 = 0.0_dp
113964  s_r_t_4 = 0.0_dp
113965  s_r_t2_4 = 0.0_dp
113966  s_r_t_5 = 0.0_dp
113967  s_r_t2_5 = 0.0_dp
113968  s_r_t_6 = 0.0_dp
113969  s_r_t2_6 = 0.0_dp
113970  s_r_t_7 = 0.0_dp
113971  s_r_t2_7 = 0.0_dp
113972  s_r_t_8 = 0.0_dp
113973  s_r_t2_8 = 0.0_dp
113974  s_r_t_9 = 0.0_dp
113975  s_r_t2_9 = 0.0_dp
113976  r_tmp = r_offset + r1*zeta/(zeta + zetb)
113977  rr2_delta = -r_tmp/dr
113978 
113979  rr2_l = ceiling(-r_c(2) + rr2_delta)
113980  rr2_r = floor(r_c(2) + rr2_delta)
113981 
113982  r = r_tmp + (rr2_l)*dr
113983 
113984  exp2_2rdr = exp(-2*alpha*r*dr)
113985  exp2_rsq = exp(-alpha*r*r)
113986 
113987  DO rr2 = rr2_l, rr2_r
113988  r_pow_t = 1.0_dp
113989  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
113990  r_pow_t = r_pow_t*r
113991  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
113992  r_pow_t = r_pow_t*r
113993  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
113994  r_pow_t = r_pow_t*r
113995  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
113996  r_pow_t = r_pow_t*r
113997  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
113998  r_pow_t = r_pow_t*r
113999  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
114000  r_pow_t = r_pow_t*r
114001  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
114002  r_pow_t = r_pow_t*r
114003  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
114004  r_pow_t = r_pow_t*r
114005  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
114006  r_pow_t = r_pow_t*r
114007  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
114008 
114009  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
114010  exp2_2rdr = exp2_2rdr*exp_2drsq
114011  r = r + dr
114012  END DO
114013 
114014  ! C --> H
114015  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
114016  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
114017  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
114018  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
114019  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
114020  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
114021  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
114022  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
114023  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
114024  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
114025  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
114026  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
114027  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
114028  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
114029  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
114030  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
114031  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
114032  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
114033  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
114034  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
114035  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
114036  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
114037  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
114038  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
114039  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
114040  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
114041  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
114042  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
114043  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
114044  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
114045  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
114046  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
114047  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
114048  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
114049  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
114050  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
114051  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
114052  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
114053  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
114054  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
114055  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
114056  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
114057  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
114058  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
114059  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
114060  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
114061  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
114062  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
114063  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
114064  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
114065  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
114066  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
114067  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
114068  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
114069  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
114070 
114071  ! H --> HH
114072  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
114073 
114074  c1 = 1.0_dp/(zeta + zetb)
114075  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
114076  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
114077 
114078  e_0_1_0 = zeta*( &
114079  +c2*e_0_0_0&
114080 
114081  )
114082  e_0_0_1 = zetb*( &
114083  +c3*e_0_0_0&
114084 
114085  )
114086  e_1_1_0 = zeta*( c1*e_0_0_0 &
114087 
114088 
114089  )
114090  e_1_0_1 = zetb*( c1*e_0_0_0 &
114091 
114092 
114093  )
114094  e_0_2_0 = zeta*( &
114095  +c2*e_0_1_0&
114096  +2*e_1_1_0 &
114097  -2*e_0_0_0)
114098  e_0_1_1 = zetb*( &
114099  +c3*e_0_1_0&
114100  +2*e_1_1_0 &
114101  )
114102  e_1_2_0 = zeta*( c1*e_0_1_0 &
114103  +c2*e_1_1_0&
114104 
114105  )
114106  e_1_1_1 = zetb*( c1*e_0_1_0 &
114107  +c3*e_1_1_0&
114108 
114109  )
114110  e_2_2_0 = zeta*( c1*e_1_1_0 &
114111 
114112 
114113  )
114114  e_2_1_1 = zetb*( c1*e_1_1_0 &
114115 
114116 
114117  )
114118  e_0_3_0 = zeta*( &
114119  +c2*e_0_2_0&
114120  +2*e_1_2_0 &
114121  -4*e_0_1_0)
114122  e_0_2_1 = zetb*( &
114123  +c3*e_0_2_0&
114124  +2*e_1_2_0 &
114125  )
114126  e_1_3_0 = zeta*( c1*e_0_2_0 &
114127  +c2*e_1_2_0&
114128  +4*e_2_2_0 &
114129  -4*e_1_1_0)
114130  e_1_2_1 = zetb*( c1*e_0_2_0 &
114131  +c3*e_1_2_0&
114132  +4*e_2_2_0 &
114133  )
114134  e_2_3_0 = zeta*( c1*e_1_2_0 &
114135  +c2*e_2_2_0&
114136 
114137  )
114138  e_2_2_1 = zetb*( c1*e_1_2_0 &
114139  +c3*e_2_2_0&
114140 
114141  )
114142  e_3_3_0 = zeta*( c1*e_2_2_0 &
114143 
114144 
114145  )
114146  e_3_2_1 = zetb*( c1*e_2_2_0 &
114147 
114148 
114149  )
114150  e_0_4_0 = zeta*( &
114151  +c2*e_0_3_0&
114152  +2*e_1_3_0 &
114153  -6*e_0_2_0)
114154  e_0_3_1 = zetb*( &
114155  +c3*e_0_3_0&
114156  +2*e_1_3_0 &
114157  )
114158  e_1_4_0 = zeta*( c1*e_0_3_0 &
114159  +c2*e_1_3_0&
114160  +4*e_2_3_0 &
114161  -6*e_1_2_0)
114162  e_1_3_1 = zetb*( c1*e_0_3_0 &
114163  +c3*e_1_3_0&
114164  +4*e_2_3_0 &
114165  )
114166  e_2_4_0 = zeta*( c1*e_1_3_0 &
114167  +c2*e_2_3_0&
114168  +6*e_3_3_0 &
114169  -6*e_2_2_0)
114170  e_2_3_1 = zetb*( c1*e_1_3_0 &
114171  +c3*e_2_3_0&
114172  +6*e_3_3_0 &
114173  )
114174  e_3_4_0 = zeta*( c1*e_2_3_0 &
114175  +c2*e_3_3_0&
114176 
114177  )
114178  e_3_3_1 = zetb*( c1*e_2_3_0 &
114179  +c3*e_3_3_0&
114180 
114181  )
114182  e_4_4_0 = zeta*( c1*e_3_3_0 &
114183 
114184 
114185  )
114186  e_4_3_1 = zetb*( c1*e_3_3_0 &
114187 
114188 
114189  )
114190  e_0_4_1 = zetb*( &
114191  +c3*e_0_4_0&
114192  +2*e_1_4_0 &
114193  )
114194  e_1_4_1 = zetb*( c1*e_0_4_0 &
114195  +c3*e_1_4_0&
114196  +4*e_2_4_0 &
114197  )
114198  e_2_4_1 = zetb*( c1*e_1_4_0 &
114199  +c3*e_2_4_0&
114200  +6*e_3_4_0 &
114201  )
114202  e_3_4_1 = zetb*( c1*e_2_4_0 &
114203  +c3*e_3_4_0&
114204  +8*e_4_4_0 &
114205  )
114206  e_4_4_1 = zetb*( c1*e_3_4_0 &
114207  +c3*e_4_4_0&
114208 
114209  )
114210  e_5_4_1 = zetb*( c1*e_4_4_0 &
114211 
114212 
114213  )
114214  e_0_1_1 = zeta*( &
114215  +c2*e_0_0_1&
114216  +2*e_1_0_1 &
114217  )
114218  e_0_0_2 = zetb*( &
114219  +c3*e_0_0_1&
114220  +2*e_1_0_1 &
114221  -2*e_0_0_0)
114222  e_1_1_1 = zeta*( c1*e_0_0_1 &
114223  +c2*e_1_0_1&
114224 
114225  )
114226  e_1_0_2 = zetb*( c1*e_0_0_1 &
114227  +c3*e_1_0_1&
114228 
114229  )
114230  e_2_1_1 = zeta*( c1*e_1_0_1 &
114231 
114232 
114233  )
114234  e_2_0_2 = zetb*( c1*e_1_0_1 &
114235 
114236 
114237  )
114238  e_0_2_1 = zeta*( &
114239  +c2*e_0_1_1&
114240  +2*e_1_1_1 &
114241  -2*e_0_0_1)
114242  e_0_1_2 = zetb*( &
114243  +c3*e_0_1_1&
114244  +2*e_1_1_1 &
114245  -2*e_0_1_0)
114246  e_1_2_1 = zeta*( c1*e_0_1_1 &
114247  +c2*e_1_1_1&
114248  +4*e_2_1_1 &
114249  -2*e_1_0_1)
114250  e_1_1_2 = zetb*( c1*e_0_1_1 &
114251  +c3*e_1_1_1&
114252  +4*e_2_1_1 &
114253  -2*e_1_1_0)
114254  e_2_2_1 = zeta*( c1*e_1_1_1 &
114255  +c2*e_2_1_1&
114256 
114257  )
114258  e_2_1_2 = zetb*( c1*e_1_1_1 &
114259  +c3*e_2_1_1&
114260 
114261  )
114262  e_3_2_1 = zeta*( c1*e_2_1_1 &
114263 
114264 
114265  )
114266  e_3_1_2 = zetb*( c1*e_2_1_1 &
114267 
114268 
114269  )
114270  e_0_3_1 = zeta*( &
114271  +c2*e_0_2_1&
114272  +2*e_1_2_1 &
114273  -4*e_0_1_1)
114274  e_0_2_2 = zetb*( &
114275  +c3*e_0_2_1&
114276  +2*e_1_2_1 &
114277  -2*e_0_2_0)
114278  e_1_3_1 = zeta*( c1*e_0_2_1 &
114279  +c2*e_1_2_1&
114280  +4*e_2_2_1 &
114281  -4*e_1_1_1)
114282  e_1_2_2 = zetb*( c1*e_0_2_1 &
114283  +c3*e_1_2_1&
114284  +4*e_2_2_1 &
114285  -2*e_1_2_0)
114286  e_2_3_1 = zeta*( c1*e_1_2_1 &
114287  +c2*e_2_2_1&
114288  +6*e_3_2_1 &
114289  -4*e_2_1_1)
114290  e_2_2_2 = zetb*( c1*e_1_2_1 &
114291  +c3*e_2_2_1&
114292  +6*e_3_2_1 &
114293  -2*e_2_2_0)
114294  e_3_3_1 = zeta*( c1*e_2_2_1 &
114295  +c2*e_3_2_1&
114296 
114297  )
114298  e_3_2_2 = zetb*( c1*e_2_2_1 &
114299  +c3*e_3_2_1&
114300 
114301  )
114302  e_4_3_1 = zeta*( c1*e_3_2_1 &
114303 
114304 
114305  )
114306  e_4_2_2 = zetb*( c1*e_3_2_1 &
114307 
114308 
114309  )
114310  e_0_4_1 = zeta*( &
114311  +c2*e_0_3_1&
114312  +2*e_1_3_1 &
114313  -6*e_0_2_1)
114314  e_0_3_2 = zetb*( &
114315  +c3*e_0_3_1&
114316  +2*e_1_3_1 &
114317  -2*e_0_3_0)
114318  e_1_4_1 = zeta*( c1*e_0_3_1 &
114319  +c2*e_1_3_1&
114320  +4*e_2_3_1 &
114321  -6*e_1_2_1)
114322  e_1_3_2 = zetb*( c1*e_0_3_1 &
114323  +c3*e_1_3_1&
114324  +4*e_2_3_1 &
114325  -2*e_1_3_0)
114326  e_2_4_1 = zeta*( c1*e_1_3_1 &
114327  +c2*e_2_3_1&
114328  +6*e_3_3_1 &
114329  -6*e_2_2_1)
114330  e_2_3_2 = zetb*( c1*e_1_3_1 &
114331  +c3*e_2_3_1&
114332  +6*e_3_3_1 &
114333  -2*e_2_3_0)
114334  e_3_4_1 = zeta*( c1*e_2_3_1 &
114335  +c2*e_3_3_1&
114336  +8*e_4_3_1 &
114337  -6*e_3_2_1)
114338  e_3_3_2 = zetb*( c1*e_2_3_1 &
114339  +c3*e_3_3_1&
114340  +8*e_4_3_1 &
114341  -2*e_3_3_0)
114342  e_4_4_1 = zeta*( c1*e_3_3_1 &
114343  +c2*e_4_3_1&
114344 
114345  )
114346  e_4_3_2 = zetb*( c1*e_3_3_1 &
114347  +c3*e_4_3_1&
114348 
114349  )
114350  e_5_4_1 = zeta*( c1*e_4_3_1 &
114351 
114352 
114353  )
114354  e_5_3_2 = zetb*( c1*e_4_3_1 &
114355 
114356 
114357  )
114358  e_0_4_2 = zetb*( &
114359  +c3*e_0_4_1&
114360  +2*e_1_4_1 &
114361  -2*e_0_4_0)
114362  e_1_4_2 = zetb*( c1*e_0_4_1 &
114363  +c3*e_1_4_1&
114364  +4*e_2_4_1 &
114365  -2*e_1_4_0)
114366  e_2_4_2 = zetb*( c1*e_1_4_1 &
114367  +c3*e_2_4_1&
114368  +6*e_3_4_1 &
114369  -2*e_2_4_0)
114370  e_3_4_2 = zetb*( c1*e_2_4_1 &
114371  +c3*e_3_4_1&
114372  +8*e_4_4_1 &
114373  -2*e_3_4_0)
114374  e_4_4_2 = zetb*( c1*e_3_4_1 &
114375  +c3*e_4_4_1&
114376  +10*e_5_4_1 &
114377  -2*e_4_4_0)
114378  e_5_4_2 = zetb*( c1*e_4_4_1 &
114379  +c3*e_5_4_1&
114380 
114381  )
114382  e_6_4_2 = zetb*( c1*e_5_4_1 &
114383 
114384 
114385  )
114386  e_0_1_2 = zeta*( &
114387  +c2*e_0_0_2&
114388  +2*e_1_0_2 &
114389  )
114390  e_0_0_3 = zetb*( &
114391  +c3*e_0_0_2&
114392  +2*e_1_0_2 &
114393  -4*e_0_0_1)
114394  e_1_1_2 = zeta*( c1*e_0_0_2 &
114395  +c2*e_1_0_2&
114396  +4*e_2_0_2 &
114397  )
114398  e_1_0_3 = zetb*( c1*e_0_0_2 &
114399  +c3*e_1_0_2&
114400  +4*e_2_0_2 &
114401  -4*e_1_0_1)
114402  e_2_1_2 = zeta*( c1*e_1_0_2 &
114403  +c2*e_2_0_2&
114404 
114405  )
114406  e_2_0_3 = zetb*( c1*e_1_0_2 &
114407  +c3*e_2_0_2&
114408 
114409  )
114410  e_3_1_2 = zeta*( c1*e_2_0_2 &
114411 
114412 
114413  )
114414  e_3_0_3 = zetb*( c1*e_2_0_2 &
114415 
114416 
114417  )
114418  e_0_2_2 = zeta*( &
114419  +c2*e_0_1_2&
114420  +2*e_1_1_2 &
114421  -2*e_0_0_2)
114422  e_0_1_3 = zetb*( &
114423  +c3*e_0_1_2&
114424  +2*e_1_1_2 &
114425  -4*e_0_1_1)
114426  e_1_2_2 = zeta*( c1*e_0_1_2 &
114427  +c2*e_1_1_2&
114428  +4*e_2_1_2 &
114429  -2*e_1_0_2)
114430  e_1_1_3 = zetb*( c1*e_0_1_2 &
114431  +c3*e_1_1_2&
114432  +4*e_2_1_2 &
114433  -4*e_1_1_1)
114434  e_2_2_2 = zeta*( c1*e_1_1_2 &
114435  +c2*e_2_1_2&
114436  +6*e_3_1_2 &
114437  -2*e_2_0_2)
114438  e_2_1_3 = zetb*( c1*e_1_1_2 &
114439  +c3*e_2_1_2&
114440  +6*e_3_1_2 &
114441  -4*e_2_1_1)
114442  e_3_2_2 = zeta*( c1*e_2_1_2 &
114443  +c2*e_3_1_2&
114444 
114445  )
114446  e_3_1_3 = zetb*( c1*e_2_1_2 &
114447  +c3*e_3_1_2&
114448 
114449  )
114450  e_4_2_2 = zeta*( c1*e_3_1_2 &
114451 
114452 
114453  )
114454  e_4_1_3 = zetb*( c1*e_3_1_2 &
114455 
114456 
114457  )
114458  e_0_3_2 = zeta*( &
114459  +c2*e_0_2_2&
114460  +2*e_1_2_2 &
114461  -4*e_0_1_2)
114462  e_0_2_3 = zetb*( &
114463  +c3*e_0_2_2&
114464  +2*e_1_2_2 &
114465  -4*e_0_2_1)
114466  e_1_3_2 = zeta*( c1*e_0_2_2 &
114467  +c2*e_1_2_2&
114468  +4*e_2_2_2 &
114469  -4*e_1_1_2)
114470  e_1_2_3 = zetb*( c1*e_0_2_2 &
114471  +c3*e_1_2_2&
114472  +4*e_2_2_2 &
114473  -4*e_1_2_1)
114474  e_2_3_2 = zeta*( c1*e_1_2_2 &
114475  +c2*e_2_2_2&
114476  +6*e_3_2_2 &
114477  -4*e_2_1_2)
114478  e_2_2_3 = zetb*( c1*e_1_2_2 &
114479  +c3*e_2_2_2&
114480  +6*e_3_2_2 &
114481  -4*e_2_2_1)
114482  e_3_3_2 = zeta*( c1*e_2_2_2 &
114483  +c2*e_3_2_2&
114484  +8*e_4_2_2 &
114485  -4*e_3_1_2)
114486  e_3_2_3 = zetb*( c1*e_2_2_2 &
114487  +c3*e_3_2_2&
114488  +8*e_4_2_2 &
114489  -4*e_3_2_1)
114490  e_4_3_2 = zeta*( c1*e_3_2_2 &
114491  +c2*e_4_2_2&
114492 
114493  )
114494  e_4_2_3 = zetb*( c1*e_3_2_2 &
114495  +c3*e_4_2_2&
114496 
114497  )
114498  e_5_3_2 = zeta*( c1*e_4_2_2 &
114499 
114500 
114501  )
114502  e_5_2_3 = zetb*( c1*e_4_2_2 &
114503 
114504 
114505  )
114506  e_0_4_2 = zeta*( &
114507  +c2*e_0_3_2&
114508  +2*e_1_3_2 &
114509  -6*e_0_2_2)
114510  e_0_3_3 = zetb*( &
114511  +c3*e_0_3_2&
114512  +2*e_1_3_2 &
114513  -4*e_0_3_1)
114514  e_1_4_2 = zeta*( c1*e_0_3_2 &
114515  +c2*e_1_3_2&
114516  +4*e_2_3_2 &
114517  -6*e_1_2_2)
114518  e_1_3_3 = zetb*( c1*e_0_3_2 &
114519  +c3*e_1_3_2&
114520  +4*e_2_3_2 &
114521  -4*e_1_3_1)
114522  e_2_4_2 = zeta*( c1*e_1_3_2 &
114523  +c2*e_2_3_2&
114524  +6*e_3_3_2 &
114525  -6*e_2_2_2)
114526  e_2_3_3 = zetb*( c1*e_1_3_2 &
114527  +c3*e_2_3_2&
114528  +6*e_3_3_2 &
114529  -4*e_2_3_1)
114530  e_3_4_2 = zeta*( c1*e_2_3_2 &
114531  +c2*e_3_3_2&
114532  +8*e_4_3_2 &
114533  -6*e_3_2_2)
114534  e_3_3_3 = zetb*( c1*e_2_3_2 &
114535  +c3*e_3_3_2&
114536  +8*e_4_3_2 &
114537  -4*e_3_3_1)
114538  e_4_4_2 = zeta*( c1*e_3_3_2 &
114539  +c2*e_4_3_2&
114540  +10*e_5_3_2 &
114541  -6*e_4_2_2)
114542  e_4_3_3 = zetb*( c1*e_3_3_2 &
114543  +c3*e_4_3_2&
114544  +10*e_5_3_2 &
114545  -4*e_4_3_1)
114546  e_5_4_2 = zeta*( c1*e_4_3_2 &
114547  +c2*e_5_3_2&
114548 
114549  )
114550  e_5_3_3 = zetb*( c1*e_4_3_2 &
114551  +c3*e_5_3_2&
114552 
114553  )
114554  e_6_4_2 = zeta*( c1*e_5_3_2 &
114555 
114556 
114557  )
114558  e_6_3_3 = zetb*( c1*e_5_3_2 &
114559 
114560 
114561  )
114562  e_0_4_3 = zetb*( &
114563  +c3*e_0_4_2&
114564  +2*e_1_4_2 &
114565  -4*e_0_4_1)
114566  e_1_4_3 = zetb*( c1*e_0_4_2 &
114567  +c3*e_1_4_2&
114568  +4*e_2_4_2 &
114569  -4*e_1_4_1)
114570  e_2_4_3 = zetb*( c1*e_1_4_2 &
114571  +c3*e_2_4_2&
114572  +6*e_3_4_2 &
114573  -4*e_2_4_1)
114574  e_3_4_3 = zetb*( c1*e_2_4_2 &
114575  +c3*e_3_4_2&
114576  +8*e_4_4_2 &
114577  -4*e_3_4_1)
114578  e_4_4_3 = zetb*( c1*e_3_4_2 &
114579  +c3*e_4_4_2&
114580  +10*e_5_4_2 &
114581  -4*e_4_4_1)
114582  e_5_4_3 = zetb*( c1*e_4_4_2 &
114583  +c3*e_5_4_2&
114584  +12*e_6_4_2 &
114585  -4*e_5_4_1)
114586  e_6_4_3 = zetb*( c1*e_5_4_2 &
114587  +c3*e_6_4_2&
114588 
114589  )
114590  e_7_4_3 = zetb*( c1*e_6_4_2 &
114591 
114592 
114593  )
114594  e_0_1_3 = zeta*( &
114595  +c2*e_0_0_3&
114596  +2*e_1_0_3 &
114597  )
114598  e_0_0_4 = zetb*( &
114599  +c3*e_0_0_3&
114600  +2*e_1_0_3 &
114601  -6*e_0_0_2)
114602  e_1_1_3 = zeta*( c1*e_0_0_3 &
114603  +c2*e_1_0_3&
114604  +4*e_2_0_3 &
114605  )
114606  e_1_0_4 = zetb*( c1*e_0_0_3 &
114607  +c3*e_1_0_3&
114608  +4*e_2_0_3 &
114609  -6*e_1_0_2)
114610  e_2_1_3 = zeta*( c1*e_1_0_3 &
114611  +c2*e_2_0_3&
114612  +6*e_3_0_3 &
114613  )
114614  e_2_0_4 = zetb*( c1*e_1_0_3 &
114615  +c3*e_2_0_3&
114616  +6*e_3_0_3 &
114617  -6*e_2_0_2)
114618  e_3_1_3 = zeta*( c1*e_2_0_3 &
114619  +c2*e_3_0_3&
114620 
114621  )
114622  e_3_0_4 = zetb*( c1*e_2_0_3 &
114623  +c3*e_3_0_3&
114624 
114625  )
114626  e_4_1_3 = zeta*( c1*e_3_0_3 &
114627 
114628 
114629  )
114630  e_4_0_4 = zetb*( c1*e_3_0_3 &
114631 
114632 
114633  )
114634  e_0_2_3 = zeta*( &
114635  +c2*e_0_1_3&
114636  +2*e_1_1_3 &
114637  -2*e_0_0_3)
114638  e_0_1_4 = zetb*( &
114639  +c3*e_0_1_3&
114640  +2*e_1_1_3 &
114641  -6*e_0_1_2)
114642  e_1_2_3 = zeta*( c1*e_0_1_3 &
114643  +c2*e_1_1_3&
114644  +4*e_2_1_3 &
114645  -2*e_1_0_3)
114646  e_1_1_4 = zetb*( c1*e_0_1_3 &
114647  +c3*e_1_1_3&
114648  +4*e_2_1_3 &
114649  -6*e_1_1_2)
114650  e_2_2_3 = zeta*( c1*e_1_1_3 &
114651  +c2*e_2_1_3&
114652  +6*e_3_1_3 &
114653  -2*e_2_0_3)
114654  e_2_1_4 = zetb*( c1*e_1_1_3 &
114655  +c3*e_2_1_3&
114656  +6*e_3_1_3 &
114657  -6*e_2_1_2)
114658  e_3_2_3 = zeta*( c1*e_2_1_3 &
114659  +c2*e_3_1_3&
114660  +8*e_4_1_3 &
114661  -2*e_3_0_3)
114662  e_3_1_4 = zetb*( c1*e_2_1_3 &
114663  +c3*e_3_1_3&
114664  +8*e_4_1_3 &
114665  -6*e_3_1_2)
114666  e_4_2_3 = zeta*( c1*e_3_1_3 &
114667  +c2*e_4_1_3&
114668 
114669  )
114670  e_4_1_4 = zetb*( c1*e_3_1_3 &
114671  +c3*e_4_1_3&
114672 
114673  )
114674  e_5_2_3 = zeta*( c1*e_4_1_3 &
114675 
114676 
114677  )
114678  e_5_1_4 = zetb*( c1*e_4_1_3 &
114679 
114680 
114681  )
114682  e_0_3_3 = zeta*( &
114683  +c2*e_0_2_3&
114684  +2*e_1_2_3 &
114685  -4*e_0_1_3)
114686  e_0_2_4 = zetb*( &
114687  +c3*e_0_2_3&
114688  +2*e_1_2_3 &
114689  -6*e_0_2_2)
114690  e_1_3_3 = zeta*( c1*e_0_2_3 &
114691  +c2*e_1_2_3&
114692  +4*e_2_2_3 &
114693  -4*e_1_1_3)
114694  e_1_2_4 = zetb*( c1*e_0_2_3 &
114695  +c3*e_1_2_3&
114696  +4*e_2_2_3 &
114697  -6*e_1_2_2)
114698  e_2_3_3 = zeta*( c1*e_1_2_3 &
114699  +c2*e_2_2_3&
114700  +6*e_3_2_3 &
114701  -4*e_2_1_3)
114702  e_2_2_4 = zetb*( c1*e_1_2_3 &
114703  +c3*e_2_2_3&
114704  +6*e_3_2_3 &
114705  -6*e_2_2_2)
114706  e_3_3_3 = zeta*( c1*e_2_2_3 &
114707  +c2*e_3_2_3&
114708  +8*e_4_2_3 &
114709  -4*e_3_1_3)
114710  e_3_2_4 = zetb*( c1*e_2_2_3 &
114711  +c3*e_3_2_3&
114712  +8*e_4_2_3 &
114713  -6*e_3_2_2)
114714  e_4_3_3 = zeta*( c1*e_3_2_3 &
114715  +c2*e_4_2_3&
114716  +10*e_5_2_3 &
114717  -4*e_4_1_3)
114718  e_4_2_4 = zetb*( c1*e_3_2_3 &
114719  +c3*e_4_2_3&
114720  +10*e_5_2_3 &
114721  -6*e_4_2_2)
114722  e_5_3_3 = zeta*( c1*e_4_2_3 &
114723  +c2*e_5_2_3&
114724 
114725  )
114726  e_5_2_4 = zetb*( c1*e_4_2_3 &
114727  +c3*e_5_2_3&
114728 
114729  )
114730  e_6_3_3 = zeta*( c1*e_5_2_3 &
114731 
114732 
114733  )
114734  e_6_2_4 = zetb*( c1*e_5_2_3 &
114735 
114736 
114737  )
114738  e_0_4_3 = zeta*( &
114739  +c2*e_0_3_3&
114740  +2*e_1_3_3 &
114741  -6*e_0_2_3)
114742  e_0_3_4 = zetb*( &
114743  +c3*e_0_3_3&
114744  +2*e_1_3_3 &
114745  -6*e_0_3_2)
114746  e_1_4_3 = zeta*( c1*e_0_3_3 &
114747  +c2*e_1_3_3&
114748  +4*e_2_3_3 &
114749  -6*e_1_2_3)
114750  e_1_3_4 = zetb*( c1*e_0_3_3 &
114751  +c3*e_1_3_3&
114752  +4*e_2_3_3 &
114753  -6*e_1_3_2)
114754  e_2_4_3 = zeta*( c1*e_1_3_3 &
114755  +c2*e_2_3_3&
114756  +6*e_3_3_3 &
114757  -6*e_2_2_3)
114758  e_2_3_4 = zetb*( c1*e_1_3_3 &
114759  +c3*e_2_3_3&
114760  +6*e_3_3_3 &
114761  -6*e_2_3_2)
114762  e_3_4_3 = zeta*( c1*e_2_3_3 &
114763  +c2*e_3_3_3&
114764  +8*e_4_3_3 &
114765  -6*e_3_2_3)
114766  e_3_3_4 = zetb*( c1*e_2_3_3 &
114767  +c3*e_3_3_3&
114768  +8*e_4_3_3 &
114769  -6*e_3_3_2)
114770  e_4_4_3 = zeta*( c1*e_3_3_3 &
114771  +c2*e_4_3_3&
114772  +10*e_5_3_3 &
114773  -6*e_4_2_3)
114774  e_4_3_4 = zetb*( c1*e_3_3_3 &
114775  +c3*e_4_3_3&
114776  +10*e_5_3_3 &
114777  -6*e_4_3_2)
114778  e_5_4_3 = zeta*( c1*e_4_3_3 &
114779  +c2*e_5_3_3&
114780  +12*e_6_3_3 &
114781  -6*e_5_2_3)
114782  e_5_3_4 = zetb*( c1*e_4_3_3 &
114783  +c3*e_5_3_3&
114784  +12*e_6_3_3 &
114785  -6*e_5_3_2)
114786  e_6_4_3 = zeta*( c1*e_5_3_3 &
114787  +c2*e_6_3_3&
114788 
114789  )
114790  e_6_3_4 = zetb*( c1*e_5_3_3 &
114791  +c3*e_6_3_3&
114792 
114793  )
114794  e_7_4_3 = zeta*( c1*e_6_3_3 &
114795 
114796 
114797  )
114798  e_7_3_4 = zetb*( c1*e_6_3_3 &
114799 
114800 
114801  )
114802  e_0_4_4 = zetb*( &
114803  +c3*e_0_4_3&
114804  +2*e_1_4_3 &
114805  -6*e_0_4_2)
114806  e_1_4_4 = zetb*( c1*e_0_4_3 &
114807  +c3*e_1_4_3&
114808  +4*e_2_4_3 &
114809  -6*e_1_4_2)
114810  e_2_4_4 = zetb*( c1*e_1_4_3 &
114811  +c3*e_2_4_3&
114812  +6*e_3_4_3 &
114813  -6*e_2_4_2)
114814  e_3_4_4 = zetb*( c1*e_2_4_3 &
114815  +c3*e_3_4_3&
114816  +8*e_4_4_3 &
114817  -6*e_3_4_2)
114818  e_4_4_4 = zetb*( c1*e_3_4_3 &
114819  +c3*e_4_4_3&
114820  +10*e_5_4_3 &
114821  -6*e_4_4_2)
114822  e_5_4_4 = zetb*( c1*e_4_4_3 &
114823  +c3*e_5_4_3&
114824  +12*e_6_4_3 &
114825  -6*e_5_4_2)
114826  e_6_4_4 = zetb*( c1*e_5_4_3 &
114827  +c3*e_6_4_3&
114828  +14*e_7_4_3 &
114829  -6*e_6_4_2)
114830  e_7_4_4 = zetb*( c1*e_6_4_3 &
114831  +c3*e_7_4_3&
114832 
114833  )
114834  e_8_4_4 = zetb*( c1*e_7_4_3 &
114835 
114836 
114837  )
114838  e_0_1_4 = zeta*( &
114839  +c2*e_0_0_4&
114840  +2*e_1_0_4 &
114841  )
114842  e_1_1_4 = zeta*( c1*e_0_0_4 &
114843  +c2*e_1_0_4&
114844  +4*e_2_0_4 &
114845  )
114846  e_2_1_4 = zeta*( c1*e_1_0_4 &
114847  +c2*e_2_0_4&
114848  +6*e_3_0_4 &
114849  )
114850  e_3_1_4 = zeta*( c1*e_2_0_4 &
114851  +c2*e_3_0_4&
114852  +8*e_4_0_4 &
114853  )
114854  e_4_1_4 = zeta*( c1*e_3_0_4 &
114855  +c2*e_4_0_4&
114856 
114857  )
114858  e_5_1_4 = zeta*( c1*e_4_0_4 &
114859 
114860 
114861  )
114862  e_0_2_4 = zeta*( &
114863  +c2*e_0_1_4&
114864  +2*e_1_1_4 &
114865  -2*e_0_0_4)
114866  e_1_2_4 = zeta*( c1*e_0_1_4 &
114867  +c2*e_1_1_4&
114868  +4*e_2_1_4 &
114869  -2*e_1_0_4)
114870  e_2_2_4 = zeta*( c1*e_1_1_4 &
114871  +c2*e_2_1_4&
114872  +6*e_3_1_4 &
114873  -2*e_2_0_4)
114874  e_3_2_4 = zeta*( c1*e_2_1_4 &
114875  +c2*e_3_1_4&
114876  +8*e_4_1_4 &
114877  -2*e_3_0_4)
114878  e_4_2_4 = zeta*( c1*e_3_1_4 &
114879  +c2*e_4_1_4&
114880  +10*e_5_1_4 &
114881  -2*e_4_0_4)
114882  e_5_2_4 = zeta*( c1*e_4_1_4 &
114883  +c2*e_5_1_4&
114884 
114885  )
114886  e_6_2_4 = zeta*( c1*e_5_1_4 &
114887 
114888 
114889  )
114890  e_0_3_4 = zeta*( &
114891  +c2*e_0_2_4&
114892  +2*e_1_2_4 &
114893  -4*e_0_1_4)
114894  e_1_3_4 = zeta*( c1*e_0_2_4 &
114895  +c2*e_1_2_4&
114896  +4*e_2_2_4 &
114897  -4*e_1_1_4)
114898  e_2_3_4 = zeta*( c1*e_1_2_4 &
114899  +c2*e_2_2_4&
114900  +6*e_3_2_4 &
114901  -4*e_2_1_4)
114902  e_3_3_4 = zeta*( c1*e_2_2_4 &
114903  +c2*e_3_2_4&
114904  +8*e_4_2_4 &
114905  -4*e_3_1_4)
114906  e_4_3_4 = zeta*( c1*e_3_2_4 &
114907  +c2*e_4_2_4&
114908  +10*e_5_2_4 &
114909  -4*e_4_1_4)
114910  e_5_3_4 = zeta*( c1*e_4_2_4 &
114911  +c2*e_5_2_4&
114912  +12*e_6_2_4 &
114913  -4*e_5_1_4)
114914  e_6_3_4 = zeta*( c1*e_5_2_4 &
114915  +c2*e_6_2_4&
114916 
114917  )
114918  e_7_3_4 = zeta*( c1*e_6_2_4 &
114919 
114920 
114921  )
114922  e_0_4_4 = zeta*( &
114923  +c2*e_0_3_4&
114924  +2*e_1_3_4 &
114925  -6*e_0_2_4)
114926  e_1_4_4 = zeta*( c1*e_0_3_4 &
114927  +c2*e_1_3_4&
114928  +4*e_2_3_4 &
114929  -6*e_1_2_4)
114930  e_2_4_4 = zeta*( c1*e_1_3_4 &
114931  +c2*e_2_3_4&
114932  +6*e_3_3_4 &
114933  -6*e_2_2_4)
114934  e_3_4_4 = zeta*( c1*e_2_3_4 &
114935  +c2*e_3_3_4&
114936  +8*e_4_3_4 &
114937  -6*e_3_2_4)
114938  e_4_4_4 = zeta*( c1*e_3_3_4 &
114939  +c2*e_4_3_4&
114940  +10*e_5_3_4 &
114941  -6*e_4_2_4)
114942  e_5_4_4 = zeta*( c1*e_4_3_4 &
114943  +c2*e_5_3_4&
114944  +12*e_6_3_4 &
114945  -6*e_5_2_4)
114946  e_6_4_4 = zeta*( c1*e_5_3_4 &
114947  +c2*e_6_3_4&
114948  +14*e_7_3_4 &
114949  -6*e_6_2_4)
114950  e_7_4_4 = zeta*( c1*e_6_3_4 &
114951  +c2*e_7_3_4&
114952 
114953  )
114954  e_8_4_4 = zeta*( c1*e_7_3_4 &
114955 
114956 
114957  )
114958 
114959  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
114960  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
114961  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
114962  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
114963  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
114964  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
114965  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
114966  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
114967  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
114968  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
114969  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
114970  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
114971  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
114972  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
114973  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
114974  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
114975  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
114976  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
114977  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
114978  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
114979  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
114980  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
114981  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
114982  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
114983  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
114984  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
114985  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
114986  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
114987  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
114988  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
114989  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
114990  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
114991  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
114992  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
114993  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
114994  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
114995  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
114996  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
114997  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
114998  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
114999  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
115000  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
115001  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
115002  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
115003  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
115004  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
115005  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
115006  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
115007  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
115008  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
115009  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
115010  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
115011  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
115012  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
115013  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
115014  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
115015  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
115016  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
115017  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
115018  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
115019  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
115020  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
115021  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
115022  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
115023  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
115024  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
115025  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
115026  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
115027  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
115028  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
115029  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
115030  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
115031  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
115032  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
115033  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
115034  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
115035  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
115036  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
115037  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
115038  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
115039  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
115040  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
115041  s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
115042  s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
115043  s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
115044  s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
115045  s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
115046  s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
115047  s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
115048  s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
115049  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
115050  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
115051  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
115052  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
115053  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
115054  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
115055  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
115056  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
115057  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
115058  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
115059  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
115060  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
115061  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
115062  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
115063  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
115064  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
115065  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
115066  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
115067  s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
115068  s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
115069  s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
115070  s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
115071  s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
115072  s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
115073  s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
115074  s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
115075  s_r(4, 4, 0) = s_r(4, 4, 0) + e_0_4_4*(1)*s_r_t2_0 ! cost: 5 flops
115076  s_r(4, 4, 0) = s_r(4, 4, 0) + e_1_4_4*(1)*s_r_t2_1 ! cost: 5 flops
115077  s_r(4, 4, 0) = s_r(4, 4, 0) + e_2_4_4*(1)*s_r_t2_2 ! cost: 5 flops
115078  s_r(4, 4, 0) = s_r(4, 4, 0) + e_3_4_4*(1)*s_r_t2_3 ! cost: 5 flops
115079  s_r(4, 4, 0) = s_r(4, 4, 0) + e_4_4_4*(1)*s_r_t2_4 ! cost: 5 flops
115080  s_r(4, 4, 0) = s_r(4, 4, 0) + e_5_4_4*(1)*s_r_t2_5 ! cost: 5 flops
115081  s_r(4, 4, 0) = s_r(4, 4, 0) + e_6_4_4*(1)*s_r_t2_6 ! cost: 5 flops
115082  s_r(4, 4, 0) = s_r(4, 4, 0) + e_7_4_4*(1)*s_r_t2_7 ! cost: 5 flops
115083  s_r(4, 4, 0) = s_r(4, 4, 0) + e_8_4_4*(1)*s_r_t2_8 ! cost: 5 flops
115084  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
115085  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
115086  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
115087  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
115088  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
115089  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
115090  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
115091  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
115092  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
115093  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
115094  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
115095  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
115096  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
115097  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
115098  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
115099  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
115100  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
115101  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
115102  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
115103  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
115104  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
115105  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
115106  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
115107  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
115108  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
115109  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
115110  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
115111  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
115112  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
115113  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
115114  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
115115  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
115116  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
115117  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
115118  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
115119  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
115120  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
115121  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
115122  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
115123  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
115124  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
115125  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
115126  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
115127  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
115128  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
115129  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
115130  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
115131  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
115132  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
115133  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
115134  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
115135  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
115136  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
115137  s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
115138  s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
115139  s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
115140  s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
115141  s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
115142  s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
115143  s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
115144  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
115145  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
115146  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
115147  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
115148  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
115149  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
115150  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
115151  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
115152  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
115153  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
115154  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
115155  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
115156  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
115157  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
115158  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
115159  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
115160  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
115161  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
115162  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
115163  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
115164  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
115165  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
115166  s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
115167  s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
115168  s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
115169  s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
115170  s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
115171  s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
115172  s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
115173  s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
115174  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
115175  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
115176  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
115177  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
115178  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
115179  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
115180  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
115181  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
115182  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
115183  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
115184  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
115185  s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
115186  s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
115187  s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
115188  s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
115189  s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
115190  s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
115191  s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
115192  s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
115193  s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
115194  s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
115195  s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
115196  s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
115197  s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
115198  s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
115199  s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
115200  s_r(4, 4, 1) = s_r(4, 4, 1) + e_0_4_4*(-1)*s_r_t2_1 ! cost: 5 flops
115201  s_r(4, 4, 1) = s_r(4, 4, 1) + e_1_4_4*(-1)*s_r_t2_2 ! cost: 5 flops
115202  s_r(4, 4, 1) = s_r(4, 4, 1) + e_2_4_4*(-1)*s_r_t2_3 ! cost: 5 flops
115203  s_r(4, 4, 1) = s_r(4, 4, 1) + e_3_4_4*(-1)*s_r_t2_4 ! cost: 5 flops
115204  s_r(4, 4, 1) = s_r(4, 4, 1) + e_4_4_4*(-1)*s_r_t2_5 ! cost: 5 flops
115205  s_r(4, 4, 1) = s_r(4, 4, 1) + e_5_4_4*(-1)*s_r_t2_6 ! cost: 5 flops
115206  s_r(4, 4, 1) = s_r(4, 4, 1) + e_6_4_4*(-1)*s_r_t2_7 ! cost: 5 flops
115207  s_r(4, 4, 1) = s_r(4, 4, 1) + e_7_4_4*(-1)*s_r_t2_8 ! cost: 5 flops
115208  s_r(4, 4, 1) = s_r(4, 4, 1) + e_8_4_4*(-1)*s_r_t2_9 ! cost: 5 flops
115209  r1 = r1 + dr
115210  END DO
115211 
115212  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
115213  END SUBROUTINE
115214  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_4_2_exp_1 ( &
115215  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
115216  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
115217  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
115218  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
115219  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
115220  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
115221  r_pow_t, r_tmp, rr1_delta, rr2_delta
115222 
115223  REAL(kind=dp) :: c1, c2, c3
115224  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
115225  & s_r_t_10
115226  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
115227  & s_r_t2_9, s_r_t2_10
115228  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
115229  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
115230  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
115231  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
115232  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
115233  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
115234  & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10
115235  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
115236  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
115237  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
115238  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
115239  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
115240  & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
115241  & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3,&
115242  & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
115243  & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4,&
115244  & e_0_4_4, e_1_4_4, e_2_4_4, e_3_4_4, e_4_4_4, e_5_4_4, e_6_4_4, e_7_4_4, e_8_4_4
115245 
115246  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
115247 
115248  dr = lgth
115249  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
115250 
115251  s_r(:, :, :) = 0.0_dp
115252 
115253  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
115254 
115255  h_to_c_0_0 = sqrt(alpha/pi)
115256 
115257  h_to_c_0_1 = 0.0_dp
115258  h_to_c_1_1 = +2*alpha*h_to_c_0_0
115259  h_to_c_0_2 = -1*h_to_c_1_1
115260  h_to_c_1_2 = +2*alpha*h_to_c_0_1
115261  h_to_c_2_2 = +2*alpha*h_to_c_1_1
115262  h_to_c_0_3 = -1*h_to_c_1_2
115263  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
115264  h_to_c_2_3 = +2*alpha*h_to_c_1_2
115265  h_to_c_3_3 = +2*alpha*h_to_c_2_2
115266  h_to_c_0_4 = -1*h_to_c_1_3
115267  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
115268  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
115269  h_to_c_3_4 = +2*alpha*h_to_c_2_3
115270  h_to_c_4_4 = +2*alpha*h_to_c_3_3
115271  h_to_c_0_5 = -1*h_to_c_1_4
115272  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
115273  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
115274  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
115275  h_to_c_4_5 = +2*alpha*h_to_c_3_4
115276  h_to_c_5_5 = +2*alpha*h_to_c_4_4
115277  h_to_c_0_6 = -1*h_to_c_1_5
115278  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
115279  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
115280  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
115281  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
115282  h_to_c_5_6 = +2*alpha*h_to_c_4_5
115283  h_to_c_6_6 = +2*alpha*h_to_c_5_5
115284  h_to_c_0_7 = -1*h_to_c_1_6
115285  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
115286  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
115287  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
115288  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
115289  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
115290  h_to_c_6_7 = +2*alpha*h_to_c_5_6
115291  h_to_c_7_7 = +2*alpha*h_to_c_6_6
115292  h_to_c_0_8 = -1*h_to_c_1_7
115293  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
115294  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
115295  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
115296  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
115297  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
115298  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
115299  h_to_c_7_8 = +2*alpha*h_to_c_6_7
115300  h_to_c_8_8 = +2*alpha*h_to_c_7_7
115301  h_to_c_0_9 = -1*h_to_c_1_8
115302  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
115303  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
115304  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
115305  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
115306  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
115307  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
115308  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
115309  h_to_c_8_9 = +2*alpha*h_to_c_7_8
115310  h_to_c_9_9 = +2*alpha*h_to_c_8_8
115311  h_to_c_0_10 = -1*h_to_c_1_9
115312  h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
115313  h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
115314  h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
115315  h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
115316  h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
115317  h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
115318  h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
115319  h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
115320  h_to_c_9_10 = +2*alpha*h_to_c_8_9
115321  h_to_c_10_10 = +2*alpha*h_to_c_9_9
115322 
115323  exp_drsq = exp(-alpha*dr*dr)
115324  exp_2drsq = exp_drsq*exp_drsq
115325 
115326  rr1_delta = (ra - rb)/dr
115327 
115328  rr1_l = ceiling(-r_c(1) + rr1_delta)
115329  rr1_r = floor(r_c(1) + rr1_delta)
115330 
115331  r1 = rr1_l*dr
115332 
115333  alpha_e = zeta*zetb/(zeta + zetb)
115334 
115335  DO rr1 = rr1_l, rr1_r
115336  s_r_t_0 = 0.0_dp
115337  s_r_t2_0 = 0.0_dp
115338  s_r_t_1 = 0.0_dp
115339  s_r_t2_1 = 0.0_dp
115340  s_r_t_2 = 0.0_dp
115341  s_r_t2_2 = 0.0_dp
115342  s_r_t_3 = 0.0_dp
115343  s_r_t2_3 = 0.0_dp
115344  s_r_t_4 = 0.0_dp
115345  s_r_t2_4 = 0.0_dp
115346  s_r_t_5 = 0.0_dp
115347  s_r_t2_5 = 0.0_dp
115348  s_r_t_6 = 0.0_dp
115349  s_r_t2_6 = 0.0_dp
115350  s_r_t_7 = 0.0_dp
115351  s_r_t2_7 = 0.0_dp
115352  s_r_t_8 = 0.0_dp
115353  s_r_t2_8 = 0.0_dp
115354  s_r_t_9 = 0.0_dp
115355  s_r_t2_9 = 0.0_dp
115356  s_r_t_10 = 0.0_dp
115357  s_r_t2_10 = 0.0_dp
115358  r_tmp = r_offset + r1*zeta/(zeta + zetb)
115359  rr2_delta = -r_tmp/dr
115360 
115361  rr2_l = ceiling(-r_c(2) + rr2_delta)
115362  rr2_r = floor(r_c(2) + rr2_delta)
115363 
115364  r = r_tmp + (rr2_l)*dr
115365 
115366  exp2_2rdr = exp(-2*alpha*r*dr)
115367  exp2_rsq = exp(-alpha*r*r)
115368 
115369  DO rr2 = rr2_l, rr2_r
115370  r_pow_t = 1.0_dp
115371  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
115372  r_pow_t = r_pow_t*r
115373  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
115374  r_pow_t = r_pow_t*r
115375  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
115376  r_pow_t = r_pow_t*r
115377  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
115378  r_pow_t = r_pow_t*r
115379  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
115380  r_pow_t = r_pow_t*r
115381  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
115382  r_pow_t = r_pow_t*r
115383  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
115384  r_pow_t = r_pow_t*r
115385  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
115386  r_pow_t = r_pow_t*r
115387  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
115388  r_pow_t = r_pow_t*r
115389  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
115390  r_pow_t = r_pow_t*r
115391  s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
115392 
115393  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
115394  exp2_2rdr = exp2_2rdr*exp_2drsq
115395  r = r + dr
115396  END DO
115397 
115398  ! C --> H
115399  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
115400  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
115401  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
115402  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
115403  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
115404  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
115405  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
115406  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
115407  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
115408  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
115409  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
115410  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
115411  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
115412  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
115413  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
115414  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
115415  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
115416  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
115417  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
115418  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
115419  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
115420  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
115421  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
115422  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
115423  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
115424  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
115425  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
115426  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
115427  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
115428  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
115429  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
115430  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
115431  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
115432  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
115433  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
115434  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
115435  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
115436  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
115437  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
115438  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
115439  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
115440  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
115441  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
115442  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
115443  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
115444  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
115445  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
115446  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
115447  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
115448  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
115449  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
115450  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
115451  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
115452  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
115453  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
115454  s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
115455  s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
115456  s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
115457  s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
115458  s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
115459  s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
115460  s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
115461  s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
115462  s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
115463  s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
115464  s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
115465 
115466  ! H --> HH
115467  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
115468 
115469  c1 = 1.0_dp/(zeta + zetb)
115470  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
115471  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
115472 
115473  e_0_1_0 = zeta*( &
115474  +c2*e_0_0_0&
115475 
115476  )
115477  e_0_0_1 = zetb*( &
115478  +c3*e_0_0_0&
115479 
115480  )
115481  e_1_1_0 = zeta*( c1*e_0_0_0 &
115482 
115483 
115484  )
115485  e_1_0_1 = zetb*( c1*e_0_0_0 &
115486 
115487 
115488  )
115489  e_0_2_0 = zeta*( &
115490  +c2*e_0_1_0&
115491  +2*e_1_1_0 &
115492  -2*e_0_0_0)
115493  e_0_1_1 = zetb*( &
115494  +c3*e_0_1_0&
115495  +2*e_1_1_0 &
115496  )
115497  e_1_2_0 = zeta*( c1*e_0_1_0 &
115498  +c2*e_1_1_0&
115499 
115500  )
115501  e_1_1_1 = zetb*( c1*e_0_1_0 &
115502  +c3*e_1_1_0&
115503 
115504  )
115505  e_2_2_0 = zeta*( c1*e_1_1_0 &
115506 
115507 
115508  )
115509  e_2_1_1 = zetb*( c1*e_1_1_0 &
115510 
115511 
115512  )
115513  e_0_3_0 = zeta*( &
115514  +c2*e_0_2_0&
115515  +2*e_1_2_0 &
115516  -4*e_0_1_0)
115517  e_0_2_1 = zetb*( &
115518  +c3*e_0_2_0&
115519  +2*e_1_2_0 &
115520  )
115521  e_1_3_0 = zeta*( c1*e_0_2_0 &
115522  +c2*e_1_2_0&
115523  +4*e_2_2_0 &
115524  -4*e_1_1_0)
115525  e_1_2_1 = zetb*( c1*e_0_2_0 &
115526  +c3*e_1_2_0&
115527  +4*e_2_2_0 &
115528  )
115529  e_2_3_0 = zeta*( c1*e_1_2_0 &
115530  +c2*e_2_2_0&
115531 
115532  )
115533  e_2_2_1 = zetb*( c1*e_1_2_0 &
115534  +c3*e_2_2_0&
115535 
115536  )
115537  e_3_3_0 = zeta*( c1*e_2_2_0 &
115538 
115539 
115540  )
115541  e_3_2_1 = zetb*( c1*e_2_2_0 &
115542 
115543 
115544  )
115545  e_0_4_0 = zeta*( &
115546  +c2*e_0_3_0&
115547  +2*e_1_3_0 &
115548  -6*e_0_2_0)
115549  e_0_3_1 = zetb*( &
115550  +c3*e_0_3_0&
115551  +2*e_1_3_0 &
115552  )
115553  e_1_4_0 = zeta*( c1*e_0_3_0 &
115554  +c2*e_1_3_0&
115555  +4*e_2_3_0 &
115556  -6*e_1_2_0)
115557  e_1_3_1 = zetb*( c1*e_0_3_0 &
115558  +c3*e_1_3_0&
115559  +4*e_2_3_0 &
115560  )
115561  e_2_4_0 = zeta*( c1*e_1_3_0 &
115562  +c2*e_2_3_0&
115563  +6*e_3_3_0 &
115564  -6*e_2_2_0)
115565  e_2_3_1 = zetb*( c1*e_1_3_0 &
115566  +c3*e_2_3_0&
115567  +6*e_3_3_0 &
115568  )
115569  e_3_4_0 = zeta*( c1*e_2_3_0 &
115570  +c2*e_3_3_0&
115571 
115572  )
115573  e_3_3_1 = zetb*( c1*e_2_3_0 &
115574  +c3*e_3_3_0&
115575 
115576  )
115577  e_4_4_0 = zeta*( c1*e_3_3_0 &
115578 
115579 
115580  )
115581  e_4_3_1 = zetb*( c1*e_3_3_0 &
115582 
115583 
115584  )
115585  e_0_4_1 = zetb*( &
115586  +c3*e_0_4_0&
115587  +2*e_1_4_0 &
115588  )
115589  e_1_4_1 = zetb*( c1*e_0_4_0 &
115590  +c3*e_1_4_0&
115591  +4*e_2_4_0 &
115592  )
115593  e_2_4_1 = zetb*( c1*e_1_4_0 &
115594  +c3*e_2_4_0&
115595  +6*e_3_4_0 &
115596  )
115597  e_3_4_1 = zetb*( c1*e_2_4_0 &
115598  +c3*e_3_4_0&
115599  +8*e_4_4_0 &
115600  )
115601  e_4_4_1 = zetb*( c1*e_3_4_0 &
115602  +c3*e_4_4_0&
115603 
115604  )
115605  e_5_4_1 = zetb*( c1*e_4_4_0 &
115606 
115607 
115608  )
115609  e_0_1_1 = zeta*( &
115610  +c2*e_0_0_1&
115611  +2*e_1_0_1 &
115612  )
115613  e_0_0_2 = zetb*( &
115614  +c3*e_0_0_1&
115615  +2*e_1_0_1 &
115616  -2*e_0_0_0)
115617  e_1_1_1 = zeta*( c1*e_0_0_1 &
115618  +c2*e_1_0_1&
115619 
115620  )
115621  e_1_0_2 = zetb*( c1*e_0_0_1 &
115622  +c3*e_1_0_1&
115623 
115624  )
115625  e_2_1_1 = zeta*( c1*e_1_0_1 &
115626 
115627 
115628  )
115629  e_2_0_2 = zetb*( c1*e_1_0_1 &
115630 
115631 
115632  )
115633  e_0_2_1 = zeta*( &
115634  +c2*e_0_1_1&
115635  +2*e_1_1_1 &
115636  -2*e_0_0_1)
115637  e_0_1_2 = zetb*( &
115638  +c3*e_0_1_1&
115639  +2*e_1_1_1 &
115640  -2*e_0_1_0)
115641  e_1_2_1 = zeta*( c1*e_0_1_1 &
115642  +c2*e_1_1_1&
115643  +4*e_2_1_1 &
115644  -2*e_1_0_1)
115645  e_1_1_2 = zetb*( c1*e_0_1_1 &
115646  +c3*e_1_1_1&
115647  +4*e_2_1_1 &
115648  -2*e_1_1_0)
115649  e_2_2_1 = zeta*( c1*e_1_1_1 &
115650  +c2*e_2_1_1&
115651 
115652  )
115653  e_2_1_2 = zetb*( c1*e_1_1_1 &
115654  +c3*e_2_1_1&
115655 
115656  )
115657  e_3_2_1 = zeta*( c1*e_2_1_1 &
115658 
115659 
115660  )
115661  e_3_1_2 = zetb*( c1*e_2_1_1 &
115662 
115663 
115664  )
115665  e_0_3_1 = zeta*( &
115666  +c2*e_0_2_1&
115667  +2*e_1_2_1 &
115668  -4*e_0_1_1)
115669  e_0_2_2 = zetb*( &
115670  +c3*e_0_2_1&
115671  +2*e_1_2_1 &
115672  -2*e_0_2_0)
115673  e_1_3_1 = zeta*( c1*e_0_2_1 &
115674  +c2*e_1_2_1&
115675  +4*e_2_2_1 &
115676  -4*e_1_1_1)
115677  e_1_2_2 = zetb*( c1*e_0_2_1 &
115678  +c3*e_1_2_1&
115679  +4*e_2_2_1 &
115680  -2*e_1_2_0)
115681  e_2_3_1 = zeta*( c1*e_1_2_1 &
115682  +c2*e_2_2_1&
115683  +6*e_3_2_1 &
115684  -4*e_2_1_1)
115685  e_2_2_2 = zetb*( c1*e_1_2_1 &
115686  +c3*e_2_2_1&
115687  +6*e_3_2_1 &
115688  -2*e_2_2_0)
115689  e_3_3_1 = zeta*( c1*e_2_2_1 &
115690  +c2*e_3_2_1&
115691 
115692  )
115693  e_3_2_2 = zetb*( c1*e_2_2_1 &
115694  +c3*e_3_2_1&
115695 
115696  )
115697  e_4_3_1 = zeta*( c1*e_3_2_1 &
115698 
115699 
115700  )
115701  e_4_2_2 = zetb*( c1*e_3_2_1 &
115702 
115703 
115704  )
115705  e_0_4_1 = zeta*( &
115706  +c2*e_0_3_1&
115707  +2*e_1_3_1 &
115708  -6*e_0_2_1)
115709  e_0_3_2 = zetb*( &
115710  +c3*e_0_3_1&
115711  +2*e_1_3_1 &
115712  -2*e_0_3_0)
115713  e_1_4_1 = zeta*( c1*e_0_3_1 &
115714  +c2*e_1_3_1&
115715  +4*e_2_3_1 &
115716  -6*e_1_2_1)
115717  e_1_3_2 = zetb*( c1*e_0_3_1 &
115718  +c3*e_1_3_1&
115719  +4*e_2_3_1 &
115720  -2*e_1_3_0)
115721  e_2_4_1 = zeta*( c1*e_1_3_1 &
115722  +c2*e_2_3_1&
115723  +6*e_3_3_1 &
115724  -6*e_2_2_1)
115725  e_2_3_2 = zetb*( c1*e_1_3_1 &
115726  +c3*e_2_3_1&
115727  +6*e_3_3_1 &
115728  -2*e_2_3_0)
115729  e_3_4_1 = zeta*( c1*e_2_3_1 &
115730  +c2*e_3_3_1&
115731  +8*e_4_3_1 &
115732  -6*e_3_2_1)
115733  e_3_3_2 = zetb*( c1*e_2_3_1 &
115734  +c3*e_3_3_1&
115735  +8*e_4_3_1 &
115736  -2*e_3_3_0)
115737  e_4_4_1 = zeta*( c1*e_3_3_1 &
115738  +c2*e_4_3_1&
115739 
115740  )
115741  e_4_3_2 = zetb*( c1*e_3_3_1 &
115742  +c3*e_4_3_1&
115743 
115744  )
115745  e_5_4_1 = zeta*( c1*e_4_3_1 &
115746 
115747 
115748  )
115749  e_5_3_2 = zetb*( c1*e_4_3_1 &
115750 
115751 
115752  )
115753  e_0_4_2 = zetb*( &
115754  +c3*e_0_4_1&
115755  +2*e_1_4_1 &
115756  -2*e_0_4_0)
115757  e_1_4_2 = zetb*( c1*e_0_4_1 &
115758  +c3*e_1_4_1&
115759  +4*e_2_4_1 &
115760  -2*e_1_4_0)
115761  e_2_4_2 = zetb*( c1*e_1_4_1 &
115762  +c3*e_2_4_1&
115763  +6*e_3_4_1 &
115764  -2*e_2_4_0)
115765  e_3_4_2 = zetb*( c1*e_2_4_1 &
115766  +c3*e_3_4_1&
115767  +8*e_4_4_1 &
115768  -2*e_3_4_0)
115769  e_4_4_2 = zetb*( c1*e_3_4_1 &
115770  +c3*e_4_4_1&
115771  +10*e_5_4_1 &
115772  -2*e_4_4_0)
115773  e_5_4_2 = zetb*( c1*e_4_4_1 &
115774  +c3*e_5_4_1&
115775 
115776  )
115777  e_6_4_2 = zetb*( c1*e_5_4_1 &
115778 
115779 
115780  )
115781  e_0_1_2 = zeta*( &
115782  +c2*e_0_0_2&
115783  +2*e_1_0_2 &
115784  )
115785  e_0_0_3 = zetb*( &
115786  +c3*e_0_0_2&
115787  +2*e_1_0_2 &
115788  -4*e_0_0_1)
115789  e_1_1_2 = zeta*( c1*e_0_0_2 &
115790  +c2*e_1_0_2&
115791  +4*e_2_0_2 &
115792  )
115793  e_1_0_3 = zetb*( c1*e_0_0_2 &
115794  +c3*e_1_0_2&
115795  +4*e_2_0_2 &
115796  -4*e_1_0_1)
115797  e_2_1_2 = zeta*( c1*e_1_0_2 &
115798  +c2*e_2_0_2&
115799 
115800  )
115801  e_2_0_3 = zetb*( c1*e_1_0_2 &
115802  +c3*e_2_0_2&
115803 
115804  )
115805  e_3_1_2 = zeta*( c1*e_2_0_2 &
115806 
115807 
115808  )
115809  e_3_0_3 = zetb*( c1*e_2_0_2 &
115810 
115811 
115812  )
115813  e_0_2_2 = zeta*( &
115814  +c2*e_0_1_2&
115815  +2*e_1_1_2 &
115816  -2*e_0_0_2)
115817  e_0_1_3 = zetb*( &
115818  +c3*e_0_1_2&
115819  +2*e_1_1_2 &
115820  -4*e_0_1_1)
115821  e_1_2_2 = zeta*( c1*e_0_1_2 &
115822  +c2*e_1_1_2&
115823  +4*e_2_1_2 &
115824  -2*e_1_0_2)
115825  e_1_1_3 = zetb*( c1*e_0_1_2 &
115826  +c3*e_1_1_2&
115827  +4*e_2_1_2 &
115828  -4*e_1_1_1)
115829  e_2_2_2 = zeta*( c1*e_1_1_2 &
115830  +c2*e_2_1_2&
115831  +6*e_3_1_2 &
115832  -2*e_2_0_2)
115833  e_2_1_3 = zetb*( c1*e_1_1_2 &
115834  +c3*e_2_1_2&
115835  +6*e_3_1_2 &
115836  -4*e_2_1_1)
115837  e_3_2_2 = zeta*( c1*e_2_1_2 &
115838  +c2*e_3_1_2&
115839 
115840  )
115841  e_3_1_3 = zetb*( c1*e_2_1_2 &
115842  +c3*e_3_1_2&
115843 
115844  )
115845  e_4_2_2 = zeta*( c1*e_3_1_2 &
115846 
115847 
115848  )
115849  e_4_1_3 = zetb*( c1*e_3_1_2 &
115850 
115851 
115852  )
115853  e_0_3_2 = zeta*( &
115854  +c2*e_0_2_2&
115855  +2*e_1_2_2 &
115856  -4*e_0_1_2)
115857  e_0_2_3 = zetb*( &
115858  +c3*e_0_2_2&
115859  +2*e_1_2_2 &
115860  -4*e_0_2_1)
115861  e_1_3_2 = zeta*( c1*e_0_2_2 &
115862  +c2*e_1_2_2&
115863  +4*e_2_2_2 &
115864  -4*e_1_1_2)
115865  e_1_2_3 = zetb*( c1*e_0_2_2 &
115866  +c3*e_1_2_2&
115867  +4*e_2_2_2 &
115868  -4*e_1_2_1)
115869  e_2_3_2 = zeta*( c1*e_1_2_2 &
115870  +c2*e_2_2_2&
115871  +6*e_3_2_2 &
115872  -4*e_2_1_2)
115873  e_2_2_3 = zetb*( c1*e_1_2_2 &
115874  +c3*e_2_2_2&
115875  +6*e_3_2_2 &
115876  -4*e_2_2_1)
115877  e_3_3_2 = zeta*( c1*e_2_2_2 &
115878  +c2*e_3_2_2&
115879  +8*e_4_2_2 &
115880  -4*e_3_1_2)
115881  e_3_2_3 = zetb*( c1*e_2_2_2 &
115882  +c3*e_3_2_2&
115883  +8*e_4_2_2 &
115884  -4*e_3_2_1)
115885  e_4_3_2 = zeta*( c1*e_3_2_2 &
115886  +c2*e_4_2_2&
115887 
115888  )
115889  e_4_2_3 = zetb*( c1*e_3_2_2 &
115890  +c3*e_4_2_2&
115891 
115892  )
115893  e_5_3_2 = zeta*( c1*e_4_2_2 &
115894 
115895 
115896  )
115897  e_5_2_3 = zetb*( c1*e_4_2_2 &
115898 
115899 
115900  )
115901  e_0_4_2 = zeta*( &
115902  +c2*e_0_3_2&
115903  +2*e_1_3_2 &
115904  -6*e_0_2_2)
115905  e_0_3_3 = zetb*( &
115906  +c3*e_0_3_2&
115907  +2*e_1_3_2 &
115908  -4*e_0_3_1)
115909  e_1_4_2 = zeta*( c1*e_0_3_2 &
115910  +c2*e_1_3_2&
115911  +4*e_2_3_2 &
115912  -6*e_1_2_2)
115913  e_1_3_3 = zetb*( c1*e_0_3_2 &
115914  +c3*e_1_3_2&
115915  +4*e_2_3_2 &
115916  -4*e_1_3_1)
115917  e_2_4_2 = zeta*( c1*e_1_3_2 &
115918  +c2*e_2_3_2&
115919  +6*e_3_3_2 &
115920  -6*e_2_2_2)
115921  e_2_3_3 = zetb*( c1*e_1_3_2 &
115922  +c3*e_2_3_2&
115923  +6*e_3_3_2 &
115924  -4*e_2_3_1)
115925  e_3_4_2 = zeta*( c1*e_2_3_2 &
115926  +c2*e_3_3_2&
115927  +8*e_4_3_2 &
115928  -6*e_3_2_2)
115929  e_3_3_3 = zetb*( c1*e_2_3_2 &
115930  +c3*e_3_3_2&
115931  +8*e_4_3_2 &
115932  -4*e_3_3_1)
115933  e_4_4_2 = zeta*( c1*e_3_3_2 &
115934  +c2*e_4_3_2&
115935  +10*e_5_3_2 &
115936  -6*e_4_2_2)
115937  e_4_3_3 = zetb*( c1*e_3_3_2 &
115938  +c3*e_4_3_2&
115939  +10*e_5_3_2 &
115940  -4*e_4_3_1)
115941  e_5_4_2 = zeta*( c1*e_4_3_2 &
115942  +c2*e_5_3_2&
115943 
115944  )
115945  e_5_3_3 = zetb*( c1*e_4_3_2 &
115946  +c3*e_5_3_2&
115947 
115948  )
115949  e_6_4_2 = zeta*( c1*e_5_3_2 &
115950 
115951 
115952  )
115953  e_6_3_3 = zetb*( c1*e_5_3_2 &
115954 
115955 
115956  )
115957  e_0_4_3 = zetb*( &
115958  +c3*e_0_4_2&
115959  +2*e_1_4_2 &
115960  -4*e_0_4_1)
115961  e_1_4_3 = zetb*( c1*e_0_4_2 &
115962  +c3*e_1_4_2&
115963  +4*e_2_4_2 &
115964  -4*e_1_4_1)
115965  e_2_4_3 = zetb*( c1*e_1_4_2 &
115966  +c3*e_2_4_2&
115967  +6*e_3_4_2 &
115968  -4*e_2_4_1)
115969  e_3_4_3 = zetb*( c1*e_2_4_2 &
115970  +c3*e_3_4_2&
115971  +8*e_4_4_2 &
115972  -4*e_3_4_1)
115973  e_4_4_3 = zetb*( c1*e_3_4_2 &
115974  +c3*e_4_4_2&
115975  +10*e_5_4_2 &
115976  -4*e_4_4_1)
115977  e_5_4_3 = zetb*( c1*e_4_4_2 &
115978  +c3*e_5_4_2&
115979  +12*e_6_4_2 &
115980  -4*e_5_4_1)
115981  e_6_4_3 = zetb*( c1*e_5_4_2 &
115982  +c3*e_6_4_2&
115983 
115984  )
115985  e_7_4_3 = zetb*( c1*e_6_4_2 &
115986 
115987 
115988  )
115989  e_0_1_3 = zeta*( &
115990  +c2*e_0_0_3&
115991  +2*e_1_0_3 &
115992  )
115993  e_0_0_4 = zetb*( &
115994  +c3*e_0_0_3&
115995  +2*e_1_0_3 &
115996  -6*e_0_0_2)
115997  e_1_1_3 = zeta*( c1*e_0_0_3 &
115998  +c2*e_1_0_3&
115999  +4*e_2_0_3 &
116000  )
116001  e_1_0_4 = zetb*( c1*e_0_0_3 &
116002  +c3*e_1_0_3&
116003  +4*e_2_0_3 &
116004  -6*e_1_0_2)
116005  e_2_1_3 = zeta*( c1*e_1_0_3 &
116006  +c2*e_2_0_3&
116007  +6*e_3_0_3 &
116008  )
116009  e_2_0_4 = zetb*( c1*e_1_0_3 &
116010  +c3*e_2_0_3&
116011  +6*e_3_0_3 &
116012  -6*e_2_0_2)
116013  e_3_1_3 = zeta*( c1*e_2_0_3 &
116014  +c2*e_3_0_3&
116015 
116016  )
116017  e_3_0_4 = zetb*( c1*e_2_0_3 &
116018  +c3*e_3_0_3&
116019 
116020  )
116021  e_4_1_3 = zeta*( c1*e_3_0_3 &
116022 
116023 
116024  )
116025  e_4_0_4 = zetb*( c1*e_3_0_3 &
116026 
116027 
116028  )
116029  e_0_2_3 = zeta*( &
116030  +c2*e_0_1_3&
116031  +2*e_1_1_3 &
116032  -2*e_0_0_3)
116033  e_0_1_4 = zetb*( &
116034  +c3*e_0_1_3&
116035  +2*e_1_1_3 &
116036  -6*e_0_1_2)
116037  e_1_2_3 = zeta*( c1*e_0_1_3 &
116038  +c2*e_1_1_3&
116039  +4*e_2_1_3 &
116040  -2*e_1_0_3)
116041  e_1_1_4 = zetb*( c1*e_0_1_3 &
116042  +c3*e_1_1_3&
116043  +4*e_2_1_3 &
116044  -6*e_1_1_2)
116045  e_2_2_3 = zeta*( c1*e_1_1_3 &
116046  +c2*e_2_1_3&
116047  +6*e_3_1_3 &
116048  -2*e_2_0_3)
116049  e_2_1_4 = zetb*( c1*e_1_1_3 &
116050  +c3*e_2_1_3&
116051  +6*e_3_1_3 &
116052  -6*e_2_1_2)
116053  e_3_2_3 = zeta*( c1*e_2_1_3 &
116054  +c2*e_3_1_3&
116055  +8*e_4_1_3 &
116056  -2*e_3_0_3)
116057  e_3_1_4 = zetb*( c1*e_2_1_3 &
116058  +c3*e_3_1_3&
116059  +8*e_4_1_3 &
116060  -6*e_3_1_2)
116061  e_4_2_3 = zeta*( c1*e_3_1_3 &
116062  +c2*e_4_1_3&
116063 
116064  )
116065  e_4_1_4 = zetb*( c1*e_3_1_3 &
116066  +c3*e_4_1_3&
116067 
116068  )
116069  e_5_2_3 = zeta*( c1*e_4_1_3 &
116070 
116071 
116072  )
116073  e_5_1_4 = zetb*( c1*e_4_1_3 &
116074 
116075 
116076  )
116077  e_0_3_3 = zeta*( &
116078  +c2*e_0_2_3&
116079  +2*e_1_2_3 &
116080  -4*e_0_1_3)
116081  e_0_2_4 = zetb*( &
116082  +c3*e_0_2_3&
116083  +2*e_1_2_3 &
116084  -6*e_0_2_2)
116085  e_1_3_3 = zeta*( c1*e_0_2_3 &
116086  +c2*e_1_2_3&
116087  +4*e_2_2_3 &
116088  -4*e_1_1_3)
116089  e_1_2_4 = zetb*( c1*e_0_2_3 &
116090  +c3*e_1_2_3&
116091  +4*e_2_2_3 &
116092  -6*e_1_2_2)
116093  e_2_3_3 = zeta*( c1*e_1_2_3 &
116094  +c2*e_2_2_3&
116095  +6*e_3_2_3 &
116096  -4*e_2_1_3)
116097  e_2_2_4 = zetb*( c1*e_1_2_3 &
116098  +c3*e_2_2_3&
116099  +6*e_3_2_3 &
116100  -6*e_2_2_2)
116101  e_3_3_3 = zeta*( c1*e_2_2_3 &
116102  +c2*e_3_2_3&
116103  +8*e_4_2_3 &
116104  -4*e_3_1_3)
116105  e_3_2_4 = zetb*( c1*e_2_2_3 &
116106  +c3*e_3_2_3&
116107  +8*e_4_2_3 &
116108  -6*e_3_2_2)
116109  e_4_3_3 = zeta*( c1*e_3_2_3 &
116110  +c2*e_4_2_3&
116111  +10*e_5_2_3 &
116112  -4*e_4_1_3)
116113  e_4_2_4 = zetb*( c1*e_3_2_3 &
116114  +c3*e_4_2_3&
116115  +10*e_5_2_3 &
116116  -6*e_4_2_2)
116117  e_5_3_3 = zeta*( c1*e_4_2_3 &
116118  +c2*e_5_2_3&
116119 
116120  )
116121  e_5_2_4 = zetb*( c1*e_4_2_3 &
116122  +c3*e_5_2_3&
116123 
116124  )
116125  e_6_3_3 = zeta*( c1*e_5_2_3 &
116126 
116127 
116128  )
116129  e_6_2_4 = zetb*( c1*e_5_2_3 &
116130 
116131 
116132  )
116133  e_0_4_3 = zeta*( &
116134  +c2*e_0_3_3&
116135  +2*e_1_3_3 &
116136  -6*e_0_2_3)
116137  e_0_3_4 = zetb*( &
116138  +c3*e_0_3_3&
116139  +2*e_1_3_3 &
116140  -6*e_0_3_2)
116141  e_1_4_3 = zeta*( c1*e_0_3_3 &
116142  +c2*e_1_3_3&
116143  +4*e_2_3_3 &
116144  -6*e_1_2_3)
116145  e_1_3_4 = zetb*( c1*e_0_3_3 &
116146  +c3*e_1_3_3&
116147  +4*e_2_3_3 &
116148  -6*e_1_3_2)
116149  e_2_4_3 = zeta*( c1*e_1_3_3 &
116150  +c2*e_2_3_3&
116151  +6*e_3_3_3 &
116152  -6*e_2_2_3)
116153  e_2_3_4 = zetb*( c1*e_1_3_3 &
116154  +c3*e_2_3_3&
116155  +6*e_3_3_3 &
116156  -6*e_2_3_2)
116157  e_3_4_3 = zeta*( c1*e_2_3_3 &
116158  +c2*e_3_3_3&
116159  +8*e_4_3_3 &
116160  -6*e_3_2_3)
116161  e_3_3_4 = zetb*( c1*e_2_3_3 &
116162  +c3*e_3_3_3&
116163  +8*e_4_3_3 &
116164  -6*e_3_3_2)
116165  e_4_4_3 = zeta*( c1*e_3_3_3 &
116166  +c2*e_4_3_3&
116167  +10*e_5_3_3 &
116168  -6*e_4_2_3)
116169  e_4_3_4 = zetb*( c1*e_3_3_3 &
116170  +c3*e_4_3_3&
116171  +10*e_5_3_3 &
116172  -6*e_4_3_2)
116173  e_5_4_3 = zeta*( c1*e_4_3_3 &
116174  +c2*e_5_3_3&
116175  +12*e_6_3_3 &
116176  -6*e_5_2_3)
116177  e_5_3_4 = zetb*( c1*e_4_3_3 &
116178  +c3*e_5_3_3&
116179  +12*e_6_3_3 &
116180  -6*e_5_3_2)
116181  e_6_4_3 = zeta*( c1*e_5_3_3 &
116182  +c2*e_6_3_3&
116183 
116184  )
116185  e_6_3_4 = zetb*( c1*e_5_3_3 &
116186  +c3*e_6_3_3&
116187 
116188  )
116189  e_7_4_3 = zeta*( c1*e_6_3_3 &
116190 
116191 
116192  )
116193  e_7_3_4 = zetb*( c1*e_6_3_3 &
116194 
116195 
116196  )
116197  e_0_4_4 = zetb*( &
116198  +c3*e_0_4_3&
116199  +2*e_1_4_3 &
116200  -6*e_0_4_2)
116201  e_1_4_4 = zetb*( c1*e_0_4_3 &
116202  +c3*e_1_4_3&
116203  +4*e_2_4_3 &
116204  -6*e_1_4_2)
116205  e_2_4_4 = zetb*( c1*e_1_4_3 &
116206  +c3*e_2_4_3&
116207  +6*e_3_4_3 &
116208  -6*e_2_4_2)
116209  e_3_4_4 = zetb*( c1*e_2_4_3 &
116210  +c3*e_3_4_3&
116211  +8*e_4_4_3 &
116212  -6*e_3_4_2)
116213  e_4_4_4 = zetb*( c1*e_3_4_3 &
116214  +c3*e_4_4_3&
116215  +10*e_5_4_3 &
116216  -6*e_4_4_2)
116217  e_5_4_4 = zetb*( c1*e_4_4_3 &
116218  +c3*e_5_4_3&
116219  +12*e_6_4_3 &
116220  -6*e_5_4_2)
116221  e_6_4_4 = zetb*( c1*e_5_4_3 &
116222  +c3*e_6_4_3&
116223  +14*e_7_4_3 &
116224  -6*e_6_4_2)
116225  e_7_4_4 = zetb*( c1*e_6_4_3 &
116226  +c3*e_7_4_3&
116227 
116228  )
116229  e_8_4_4 = zetb*( c1*e_7_4_3 &
116230 
116231 
116232  )
116233  e_0_1_4 = zeta*( &
116234  +c2*e_0_0_4&
116235  +2*e_1_0_4 &
116236  )
116237  e_1_1_4 = zeta*( c1*e_0_0_4 &
116238  +c2*e_1_0_4&
116239  +4*e_2_0_4 &
116240  )
116241  e_2_1_4 = zeta*( c1*e_1_0_4 &
116242  +c2*e_2_0_4&
116243  +6*e_3_0_4 &
116244  )
116245  e_3_1_4 = zeta*( c1*e_2_0_4 &
116246  +c2*e_3_0_4&
116247  +8*e_4_0_4 &
116248  )
116249  e_4_1_4 = zeta*( c1*e_3_0_4 &
116250  +c2*e_4_0_4&
116251 
116252  )
116253  e_5_1_4 = zeta*( c1*e_4_0_4 &
116254 
116255 
116256  )
116257  e_0_2_4 = zeta*( &
116258  +c2*e_0_1_4&
116259  +2*e_1_1_4 &
116260  -2*e_0_0_4)
116261  e_1_2_4 = zeta*( c1*e_0_1_4 &
116262  +c2*e_1_1_4&
116263  +4*e_2_1_4 &
116264  -2*e_1_0_4)
116265  e_2_2_4 = zeta*( c1*e_1_1_4 &
116266  +c2*e_2_1_4&
116267  +6*e_3_1_4 &
116268  -2*e_2_0_4)
116269  e_3_2_4 = zeta*( c1*e_2_1_4 &
116270  +c2*e_3_1_4&
116271  +8*e_4_1_4 &
116272  -2*e_3_0_4)
116273  e_4_2_4 = zeta*( c1*e_3_1_4 &
116274  +c2*e_4_1_4&
116275  +10*e_5_1_4 &
116276  -2*e_4_0_4)
116277  e_5_2_4 = zeta*( c1*e_4_1_4 &
116278  +c2*e_5_1_4&
116279 
116280  )
116281  e_6_2_4 = zeta*( c1*e_5_1_4 &
116282 
116283 
116284  )
116285  e_0_3_4 = zeta*( &
116286  +c2*e_0_2_4&
116287  +2*e_1_2_4 &
116288  -4*e_0_1_4)
116289  e_1_3_4 = zeta*( c1*e_0_2_4 &
116290  +c2*e_1_2_4&
116291  +4*e_2_2_4 &
116292  -4*e_1_1_4)
116293  e_2_3_4 = zeta*( c1*e_1_2_4 &
116294  +c2*e_2_2_4&
116295  +6*e_3_2_4 &
116296  -4*e_2_1_4)
116297  e_3_3_4 = zeta*( c1*e_2_2_4 &
116298  +c2*e_3_2_4&
116299  +8*e_4_2_4 &
116300  -4*e_3_1_4)
116301  e_4_3_4 = zeta*( c1*e_3_2_4 &
116302  +c2*e_4_2_4&
116303  +10*e_5_2_4 &
116304  -4*e_4_1_4)
116305  e_5_3_4 = zeta*( c1*e_4_2_4 &
116306  +c2*e_5_2_4&
116307  +12*e_6_2_4 &
116308  -4*e_5_1_4)
116309  e_6_3_4 = zeta*( c1*e_5_2_4 &
116310  +c2*e_6_2_4&
116311 
116312  )
116313  e_7_3_4 = zeta*( c1*e_6_2_4 &
116314 
116315 
116316  )
116317  e_0_4_4 = zeta*( &
116318  +c2*e_0_3_4&
116319  +2*e_1_3_4 &
116320  -6*e_0_2_4)
116321  e_1_4_4 = zeta*( c1*e_0_3_4 &
116322  +c2*e_1_3_4&
116323  +4*e_2_3_4 &
116324  -6*e_1_2_4)
116325  e_2_4_4 = zeta*( c1*e_1_3_4 &
116326  +c2*e_2_3_4&
116327  +6*e_3_3_4 &
116328  -6*e_2_2_4)
116329  e_3_4_4 = zeta*( c1*e_2_3_4 &
116330  +c2*e_3_3_4&
116331  +8*e_4_3_4 &
116332  -6*e_3_2_4)
116333  e_4_4_4 = zeta*( c1*e_3_3_4 &
116334  +c2*e_4_3_4&
116335  +10*e_5_3_4 &
116336  -6*e_4_2_4)
116337  e_5_4_4 = zeta*( c1*e_4_3_4 &
116338  +c2*e_5_3_4&
116339  +12*e_6_3_4 &
116340  -6*e_5_2_4)
116341  e_6_4_4 = zeta*( c1*e_5_3_4 &
116342  +c2*e_6_3_4&
116343  +14*e_7_3_4 &
116344  -6*e_6_2_4)
116345  e_7_4_4 = zeta*( c1*e_6_3_4 &
116346  +c2*e_7_3_4&
116347 
116348  )
116349  e_8_4_4 = zeta*( c1*e_7_3_4 &
116350 
116351 
116352  )
116353 
116354  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
116355  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
116356  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
116357  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
116358  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
116359  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
116360  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
116361  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
116362  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
116363  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
116364  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
116365  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
116366  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
116367  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
116368  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
116369  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
116370  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
116371  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
116372  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
116373  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
116374  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
116375  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
116376  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
116377  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
116378  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
116379  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
116380  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
116381  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
116382  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
116383  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
116384  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
116385  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
116386  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
116387  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
116388  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
116389  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
116390  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
116391  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
116392  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
116393  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
116394  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
116395  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
116396  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
116397  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
116398  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
116399  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
116400  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
116401  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
116402  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
116403  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
116404  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
116405  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
116406  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
116407  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
116408  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
116409  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
116410  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
116411  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
116412  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
116413  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
116414  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
116415  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
116416  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
116417  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
116418  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
116419  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
116420  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
116421  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
116422  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
116423  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
116424  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
116425  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
116426  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
116427  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
116428  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
116429  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
116430  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
116431  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
116432  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
116433  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
116434  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
116435  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
116436  s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
116437  s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
116438  s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
116439  s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
116440  s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
116441  s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
116442  s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
116443  s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
116444  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
116445  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
116446  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
116447  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
116448  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
116449  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
116450  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
116451  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
116452  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
116453  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
116454  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
116455  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
116456  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
116457  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
116458  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
116459  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
116460  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
116461  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
116462  s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
116463  s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
116464  s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
116465  s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
116466  s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
116467  s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
116468  s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
116469  s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
116470  s_r(4, 4, 0) = s_r(4, 4, 0) + e_0_4_4*(1)*s_r_t2_0 ! cost: 5 flops
116471  s_r(4, 4, 0) = s_r(4, 4, 0) + e_1_4_4*(1)*s_r_t2_1 ! cost: 5 flops
116472  s_r(4, 4, 0) = s_r(4, 4, 0) + e_2_4_4*(1)*s_r_t2_2 ! cost: 5 flops
116473  s_r(4, 4, 0) = s_r(4, 4, 0) + e_3_4_4*(1)*s_r_t2_3 ! cost: 5 flops
116474  s_r(4, 4, 0) = s_r(4, 4, 0) + e_4_4_4*(1)*s_r_t2_4 ! cost: 5 flops
116475  s_r(4, 4, 0) = s_r(4, 4, 0) + e_5_4_4*(1)*s_r_t2_5 ! cost: 5 flops
116476  s_r(4, 4, 0) = s_r(4, 4, 0) + e_6_4_4*(1)*s_r_t2_6 ! cost: 5 flops
116477  s_r(4, 4, 0) = s_r(4, 4, 0) + e_7_4_4*(1)*s_r_t2_7 ! cost: 5 flops
116478  s_r(4, 4, 0) = s_r(4, 4, 0) + e_8_4_4*(1)*s_r_t2_8 ! cost: 5 flops
116479  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
116480  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
116481  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
116482  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
116483  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
116484  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
116485  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
116486  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
116487  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
116488  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
116489  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
116490  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
116491  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
116492  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
116493  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
116494  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
116495  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
116496  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
116497  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
116498  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
116499  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
116500  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
116501  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
116502  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
116503  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
116504  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
116505  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
116506  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
116507  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
116508  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
116509  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
116510  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
116511  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
116512  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
116513  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
116514  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
116515  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
116516  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
116517  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
116518  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
116519  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
116520  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
116521  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
116522  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
116523  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
116524  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
116525  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
116526  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
116527  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
116528  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
116529  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
116530  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
116531  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
116532  s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
116533  s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
116534  s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
116535  s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
116536  s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
116537  s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
116538  s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
116539  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
116540  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
116541  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
116542  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
116543  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
116544  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
116545  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
116546  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
116547  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
116548  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
116549  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
116550  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
116551  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
116552  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
116553  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
116554  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
116555  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
116556  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
116557  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
116558  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
116559  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
116560  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
116561  s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
116562  s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
116563  s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
116564  s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
116565  s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
116566  s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
116567  s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
116568  s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
116569  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
116570  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
116571  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
116572  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
116573  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
116574  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
116575  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
116576  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
116577  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
116578  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
116579  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
116580  s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
116581  s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
116582  s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
116583  s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
116584  s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
116585  s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
116586  s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
116587  s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
116588  s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
116589  s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
116590  s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
116591  s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
116592  s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
116593  s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
116594  s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
116595  s_r(4, 4, 1) = s_r(4, 4, 1) + e_0_4_4*(-1)*s_r_t2_1 ! cost: 5 flops
116596  s_r(4, 4, 1) = s_r(4, 4, 1) + e_1_4_4*(-1)*s_r_t2_2 ! cost: 5 flops
116597  s_r(4, 4, 1) = s_r(4, 4, 1) + e_2_4_4*(-1)*s_r_t2_3 ! cost: 5 flops
116598  s_r(4, 4, 1) = s_r(4, 4, 1) + e_3_4_4*(-1)*s_r_t2_4 ! cost: 5 flops
116599  s_r(4, 4, 1) = s_r(4, 4, 1) + e_4_4_4*(-1)*s_r_t2_5 ! cost: 5 flops
116600  s_r(4, 4, 1) = s_r(4, 4, 1) + e_5_4_4*(-1)*s_r_t2_6 ! cost: 5 flops
116601  s_r(4, 4, 1) = s_r(4, 4, 1) + e_6_4_4*(-1)*s_r_t2_7 ! cost: 5 flops
116602  s_r(4, 4, 1) = s_r(4, 4, 1) + e_7_4_4*(-1)*s_r_t2_8 ! cost: 5 flops
116603  s_r(4, 4, 1) = s_r(4, 4, 1) + e_8_4_4*(-1)*s_r_t2_9 ! cost: 5 flops
116604  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
116605  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
116606  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
116607  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
116608  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
116609  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
116610  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
116611  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
116612  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
116613  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
116614  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
116615  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
116616  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
116617  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
116618  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
116619  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
116620  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
116621  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
116622  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
116623  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
116624  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
116625  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
116626  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
116627  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
116628  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
116629  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
116630  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
116631  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
116632  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
116633  s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
116634  s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
116635  s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
116636  s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
116637  s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
116638  s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
116639  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
116640  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
116641  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
116642  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
116643  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
116644  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
116645  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
116646  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
116647  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
116648  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
116649  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
116650  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
116651  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
116652  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
116653  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
116654  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
116655  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
116656  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
116657  s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
116658  s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
116659  s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
116660  s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
116661  s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
116662  s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
116663  s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
116664  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
116665  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
116666  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
116667  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
116668  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
116669  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
116670  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
116671  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
116672  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
116673  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
116674  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
116675  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
116676  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
116677  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
116678  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
116679  s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
116680  s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
116681  s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
116682  s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
116683  s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
116684  s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
116685  s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
116686  s_r(4, 3, 2) = s_r(4, 3, 2) + e_0_4_3*(1)*s_r_t2_2 ! cost: 5 flops
116687  s_r(4, 3, 2) = s_r(4, 3, 2) + e_1_4_3*(1)*s_r_t2_3 ! cost: 5 flops
116688  s_r(4, 3, 2) = s_r(4, 3, 2) + e_2_4_3*(1)*s_r_t2_4 ! cost: 5 flops
116689  s_r(4, 3, 2) = s_r(4, 3, 2) + e_3_4_3*(1)*s_r_t2_5 ! cost: 5 flops
116690  s_r(4, 3, 2) = s_r(4, 3, 2) + e_4_4_3*(1)*s_r_t2_6 ! cost: 5 flops
116691  s_r(4, 3, 2) = s_r(4, 3, 2) + e_5_4_3*(1)*s_r_t2_7 ! cost: 5 flops
116692  s_r(4, 3, 2) = s_r(4, 3, 2) + e_6_4_3*(1)*s_r_t2_8 ! cost: 5 flops
116693  s_r(4, 3, 2) = s_r(4, 3, 2) + e_7_4_3*(1)*s_r_t2_9 ! cost: 5 flops
116694  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
116695  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
116696  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
116697  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
116698  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
116699  s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
116700  s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
116701  s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
116702  s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
116703  s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
116704  s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
116705  s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
116706  s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
116707  s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
116708  s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
116709  s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
116710  s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
116711  s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
116712  s_r(3, 4, 2) = s_r(3, 4, 2) + e_0_3_4*(1)*s_r_t2_2 ! cost: 5 flops
116713  s_r(3, 4, 2) = s_r(3, 4, 2) + e_1_3_4*(1)*s_r_t2_3 ! cost: 5 flops
116714  s_r(3, 4, 2) = s_r(3, 4, 2) + e_2_3_4*(1)*s_r_t2_4 ! cost: 5 flops
116715  s_r(3, 4, 2) = s_r(3, 4, 2) + e_3_3_4*(1)*s_r_t2_5 ! cost: 5 flops
116716  s_r(3, 4, 2) = s_r(3, 4, 2) + e_4_3_4*(1)*s_r_t2_6 ! cost: 5 flops
116717  s_r(3, 4, 2) = s_r(3, 4, 2) + e_5_3_4*(1)*s_r_t2_7 ! cost: 5 flops
116718  s_r(3, 4, 2) = s_r(3, 4, 2) + e_6_3_4*(1)*s_r_t2_8 ! cost: 5 flops
116719  s_r(3, 4, 2) = s_r(3, 4, 2) + e_7_3_4*(1)*s_r_t2_9 ! cost: 5 flops
116720  s_r(4, 4, 2) = s_r(4, 4, 2) + e_0_4_4*(1)*s_r_t2_2 ! cost: 5 flops
116721  s_r(4, 4, 2) = s_r(4, 4, 2) + e_1_4_4*(1)*s_r_t2_3 ! cost: 5 flops
116722  s_r(4, 4, 2) = s_r(4, 4, 2) + e_2_4_4*(1)*s_r_t2_4 ! cost: 5 flops
116723  s_r(4, 4, 2) = s_r(4, 4, 2) + e_3_4_4*(1)*s_r_t2_5 ! cost: 5 flops
116724  s_r(4, 4, 2) = s_r(4, 4, 2) + e_4_4_4*(1)*s_r_t2_6 ! cost: 5 flops
116725  s_r(4, 4, 2) = s_r(4, 4, 2) + e_5_4_4*(1)*s_r_t2_7 ! cost: 5 flops
116726  s_r(4, 4, 2) = s_r(4, 4, 2) + e_6_4_4*(1)*s_r_t2_8 ! cost: 5 flops
116727  s_r(4, 4, 2) = s_r(4, 4, 2) + e_7_4_4*(1)*s_r_t2_9 ! cost: 5 flops
116728  s_r(4, 4, 2) = s_r(4, 4, 2) + e_8_4_4*(1)*s_r_t2_10 ! cost: 5 flops
116729  r1 = r1 + dr
116730  END DO
116731 
116732  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
116733  END SUBROUTINE
116734  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_4_3_exp_1 ( &
116735  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
116736  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
116737  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
116738  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
116739  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
116740  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
116741  r_pow_t, r_tmp, rr1_delta, rr2_delta
116742 
116743  REAL(kind=dp) :: c1, c2, c3
116744  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
116745  & s_r_t_10, s_r_t_11
116746  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
116747  & s_r_t2_9, s_r_t2_10, s_r_t2_11
116748  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
116749  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
116750  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
116751  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
116752  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
116753  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
116754  & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10, h_to_c_0_11,&
116755  & h_to_c_1_11, h_to_c_2_11, h_to_c_3_11, h_to_c_4_11, h_to_c_5_11, h_to_c_6_11, h_to_c_7_11, h_to_c_8_11, h_to_c_9_11,&
116756  & h_to_c_10_11, h_to_c_11_11
116757  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
116758  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
116759  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
116760  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
116761  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
116762  & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
116763  & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3,&
116764  & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
116765  & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4,&
116766  & e_0_4_4, e_1_4_4, e_2_4_4, e_3_4_4, e_4_4_4, e_5_4_4, e_6_4_4, e_7_4_4, e_8_4_4
116767 
116768  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
116769 
116770  dr = lgth
116771  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
116772 
116773  s_r(:, :, :) = 0.0_dp
116774 
116775  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
116776 
116777  h_to_c_0_0 = sqrt(alpha/pi)
116778 
116779  h_to_c_0_1 = 0.0_dp
116780  h_to_c_1_1 = +2*alpha*h_to_c_0_0
116781  h_to_c_0_2 = -1*h_to_c_1_1
116782  h_to_c_1_2 = +2*alpha*h_to_c_0_1
116783  h_to_c_2_2 = +2*alpha*h_to_c_1_1
116784  h_to_c_0_3 = -1*h_to_c_1_2
116785  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
116786  h_to_c_2_3 = +2*alpha*h_to_c_1_2
116787  h_to_c_3_3 = +2*alpha*h_to_c_2_2
116788  h_to_c_0_4 = -1*h_to_c_1_3
116789  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
116790  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
116791  h_to_c_3_4 = +2*alpha*h_to_c_2_3
116792  h_to_c_4_4 = +2*alpha*h_to_c_3_3
116793  h_to_c_0_5 = -1*h_to_c_1_4
116794  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
116795  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
116796  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
116797  h_to_c_4_5 = +2*alpha*h_to_c_3_4
116798  h_to_c_5_5 = +2*alpha*h_to_c_4_4
116799  h_to_c_0_6 = -1*h_to_c_1_5
116800  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
116801  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
116802  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
116803  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
116804  h_to_c_5_6 = +2*alpha*h_to_c_4_5
116805  h_to_c_6_6 = +2*alpha*h_to_c_5_5
116806  h_to_c_0_7 = -1*h_to_c_1_6
116807  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
116808  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
116809  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
116810  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
116811  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
116812  h_to_c_6_7 = +2*alpha*h_to_c_5_6
116813  h_to_c_7_7 = +2*alpha*h_to_c_6_6
116814  h_to_c_0_8 = -1*h_to_c_1_7
116815  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
116816  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
116817  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
116818  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
116819  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
116820  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
116821  h_to_c_7_8 = +2*alpha*h_to_c_6_7
116822  h_to_c_8_8 = +2*alpha*h_to_c_7_7
116823  h_to_c_0_9 = -1*h_to_c_1_8
116824  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
116825  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
116826  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
116827  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
116828  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
116829  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
116830  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
116831  h_to_c_8_9 = +2*alpha*h_to_c_7_8
116832  h_to_c_9_9 = +2*alpha*h_to_c_8_8
116833  h_to_c_0_10 = -1*h_to_c_1_9
116834  h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
116835  h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
116836  h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
116837  h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
116838  h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
116839  h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
116840  h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
116841  h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
116842  h_to_c_9_10 = +2*alpha*h_to_c_8_9
116843  h_to_c_10_10 = +2*alpha*h_to_c_9_9
116844  h_to_c_0_11 = -1*h_to_c_1_10
116845  h_to_c_1_11 = -2*h_to_c_2_10 +2*alpha*h_to_c_0_10
116846  h_to_c_2_11 = -3*h_to_c_3_10 +2*alpha*h_to_c_1_10
116847  h_to_c_3_11 = -4*h_to_c_4_10 +2*alpha*h_to_c_2_10
116848  h_to_c_4_11 = -5*h_to_c_5_10 +2*alpha*h_to_c_3_10
116849  h_to_c_5_11 = -6*h_to_c_6_10 +2*alpha*h_to_c_4_10
116850  h_to_c_6_11 = -7*h_to_c_7_10 +2*alpha*h_to_c_5_10
116851  h_to_c_7_11 = -8*h_to_c_8_10 +2*alpha*h_to_c_6_10
116852  h_to_c_8_11 = -9*h_to_c_9_10 +2*alpha*h_to_c_7_10
116853  h_to_c_9_11 = -10*h_to_c_10_10 +2*alpha*h_to_c_8_10
116854  h_to_c_10_11 = +2*alpha*h_to_c_9_10
116855  h_to_c_11_11 = +2*alpha*h_to_c_10_10
116856 
116857  exp_drsq = exp(-alpha*dr*dr)
116858  exp_2drsq = exp_drsq*exp_drsq
116859 
116860  rr1_delta = (ra - rb)/dr
116861 
116862  rr1_l = ceiling(-r_c(1) + rr1_delta)
116863  rr1_r = floor(r_c(1) + rr1_delta)
116864 
116865  r1 = rr1_l*dr
116866 
116867  alpha_e = zeta*zetb/(zeta + zetb)
116868 
116869  DO rr1 = rr1_l, rr1_r
116870  s_r_t_0 = 0.0_dp
116871  s_r_t2_0 = 0.0_dp
116872  s_r_t_1 = 0.0_dp
116873  s_r_t2_1 = 0.0_dp
116874  s_r_t_2 = 0.0_dp
116875  s_r_t2_2 = 0.0_dp
116876  s_r_t_3 = 0.0_dp
116877  s_r_t2_3 = 0.0_dp
116878  s_r_t_4 = 0.0_dp
116879  s_r_t2_4 = 0.0_dp
116880  s_r_t_5 = 0.0_dp
116881  s_r_t2_5 = 0.0_dp
116882  s_r_t_6 = 0.0_dp
116883  s_r_t2_6 = 0.0_dp
116884  s_r_t_7 = 0.0_dp
116885  s_r_t2_7 = 0.0_dp
116886  s_r_t_8 = 0.0_dp
116887  s_r_t2_8 = 0.0_dp
116888  s_r_t_9 = 0.0_dp
116889  s_r_t2_9 = 0.0_dp
116890  s_r_t_10 = 0.0_dp
116891  s_r_t2_10 = 0.0_dp
116892  s_r_t_11 = 0.0_dp
116893  s_r_t2_11 = 0.0_dp
116894  r_tmp = r_offset + r1*zeta/(zeta + zetb)
116895  rr2_delta = -r_tmp/dr
116896 
116897  rr2_l = ceiling(-r_c(2) + rr2_delta)
116898  rr2_r = floor(r_c(2) + rr2_delta)
116899 
116900  r = r_tmp + (rr2_l)*dr
116901 
116902  exp2_2rdr = exp(-2*alpha*r*dr)
116903  exp2_rsq = exp(-alpha*r*r)
116904 
116905  DO rr2 = rr2_l, rr2_r
116906  r_pow_t = 1.0_dp
116907  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
116908  r_pow_t = r_pow_t*r
116909  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
116910  r_pow_t = r_pow_t*r
116911  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
116912  r_pow_t = r_pow_t*r
116913  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
116914  r_pow_t = r_pow_t*r
116915  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
116916  r_pow_t = r_pow_t*r
116917  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
116918  r_pow_t = r_pow_t*r
116919  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
116920  r_pow_t = r_pow_t*r
116921  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
116922  r_pow_t = r_pow_t*r
116923  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
116924  r_pow_t = r_pow_t*r
116925  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
116926  r_pow_t = r_pow_t*r
116927  s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
116928  r_pow_t = r_pow_t*r
116929  s_r_t_11 = s_r_t_11+r_pow_t*exp2_rsq
116930 
116931  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
116932  exp2_2rdr = exp2_2rdr*exp_2drsq
116933  r = r + dr
116934  END DO
116935 
116936  ! C --> H
116937  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
116938  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
116939  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
116940  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
116941  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
116942  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
116943  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
116944  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
116945  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
116946  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
116947  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
116948  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
116949  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
116950  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
116951  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
116952  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
116953  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
116954  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
116955  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
116956  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
116957  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
116958  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
116959  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
116960  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
116961  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
116962  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
116963  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
116964  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
116965  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
116966  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
116967  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
116968  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
116969  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
116970  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
116971  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
116972  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
116973  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
116974  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
116975  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
116976  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
116977  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
116978  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
116979  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
116980  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
116981  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
116982  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
116983  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
116984  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
116985  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
116986  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
116987  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
116988  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
116989  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
116990  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
116991  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
116992  s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
116993  s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
116994  s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
116995  s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
116996  s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
116997  s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
116998  s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
116999  s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
117000  s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
117001  s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
117002  s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
117003  s_r_t2_11 = s_r_t2_11+h_to_c_0_11*s_r_t_0
117004  s_r_t2_11 = s_r_t2_11+h_to_c_1_11*s_r_t_1
117005  s_r_t2_11 = s_r_t2_11+h_to_c_2_11*s_r_t_2
117006  s_r_t2_11 = s_r_t2_11+h_to_c_3_11*s_r_t_3
117007  s_r_t2_11 = s_r_t2_11+h_to_c_4_11*s_r_t_4
117008  s_r_t2_11 = s_r_t2_11+h_to_c_5_11*s_r_t_5
117009  s_r_t2_11 = s_r_t2_11+h_to_c_6_11*s_r_t_6
117010  s_r_t2_11 = s_r_t2_11+h_to_c_7_11*s_r_t_7
117011  s_r_t2_11 = s_r_t2_11+h_to_c_8_11*s_r_t_8
117012  s_r_t2_11 = s_r_t2_11+h_to_c_9_11*s_r_t_9
117013  s_r_t2_11 = s_r_t2_11+h_to_c_10_11*s_r_t_10
117014  s_r_t2_11 = s_r_t2_11+h_to_c_11_11*s_r_t_11
117015 
117016  ! H --> HH
117017  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
117018 
117019  c1 = 1.0_dp/(zeta + zetb)
117020  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
117021  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
117022 
117023  e_0_1_0 = zeta*( &
117024  +c2*e_0_0_0&
117025 
117026  )
117027  e_0_0_1 = zetb*( &
117028  +c3*e_0_0_0&
117029 
117030  )
117031  e_1_1_0 = zeta*( c1*e_0_0_0 &
117032 
117033 
117034  )
117035  e_1_0_1 = zetb*( c1*e_0_0_0 &
117036 
117037 
117038  )
117039  e_0_2_0 = zeta*( &
117040  +c2*e_0_1_0&
117041  +2*e_1_1_0 &
117042  -2*e_0_0_0)
117043  e_0_1_1 = zetb*( &
117044  +c3*e_0_1_0&
117045  +2*e_1_1_0 &
117046  )
117047  e_1_2_0 = zeta*( c1*e_0_1_0 &
117048  +c2*e_1_1_0&
117049 
117050  )
117051  e_1_1_1 = zetb*( c1*e_0_1_0 &
117052  +c3*e_1_1_0&
117053 
117054  )
117055  e_2_2_0 = zeta*( c1*e_1_1_0 &
117056 
117057 
117058  )
117059  e_2_1_1 = zetb*( c1*e_1_1_0 &
117060 
117061 
117062  )
117063  e_0_3_0 = zeta*( &
117064  +c2*e_0_2_0&
117065  +2*e_1_2_0 &
117066  -4*e_0_1_0)
117067  e_0_2_1 = zetb*( &
117068  +c3*e_0_2_0&
117069  +2*e_1_2_0 &
117070  )
117071  e_1_3_0 = zeta*( c1*e_0_2_0 &
117072  +c2*e_1_2_0&
117073  +4*e_2_2_0 &
117074  -4*e_1_1_0)
117075  e_1_2_1 = zetb*( c1*e_0_2_0 &
117076  +c3*e_1_2_0&
117077  +4*e_2_2_0 &
117078  )
117079  e_2_3_0 = zeta*( c1*e_1_2_0 &
117080  +c2*e_2_2_0&
117081 
117082  )
117083  e_2_2_1 = zetb*( c1*e_1_2_0 &
117084  +c3*e_2_2_0&
117085 
117086  )
117087  e_3_3_0 = zeta*( c1*e_2_2_0 &
117088 
117089 
117090  )
117091  e_3_2_1 = zetb*( c1*e_2_2_0 &
117092 
117093 
117094  )
117095  e_0_4_0 = zeta*( &
117096  +c2*e_0_3_0&
117097  +2*e_1_3_0 &
117098  -6*e_0_2_0)
117099  e_0_3_1 = zetb*( &
117100  +c3*e_0_3_0&
117101  +2*e_1_3_0 &
117102  )
117103  e_1_4_0 = zeta*( c1*e_0_3_0 &
117104  +c2*e_1_3_0&
117105  +4*e_2_3_0 &
117106  -6*e_1_2_0)
117107  e_1_3_1 = zetb*( c1*e_0_3_0 &
117108  +c3*e_1_3_0&
117109  +4*e_2_3_0 &
117110  )
117111  e_2_4_0 = zeta*( c1*e_1_3_0 &
117112  +c2*e_2_3_0&
117113  +6*e_3_3_0 &
117114  -6*e_2_2_0)
117115  e_2_3_1 = zetb*( c1*e_1_3_0 &
117116  +c3*e_2_3_0&
117117  +6*e_3_3_0 &
117118  )
117119  e_3_4_0 = zeta*( c1*e_2_3_0 &
117120  +c2*e_3_3_0&
117121 
117122  )
117123  e_3_3_1 = zetb*( c1*e_2_3_0 &
117124  +c3*e_3_3_0&
117125 
117126  )
117127  e_4_4_0 = zeta*( c1*e_3_3_0 &
117128 
117129 
117130  )
117131  e_4_3_1 = zetb*( c1*e_3_3_0 &
117132 
117133 
117134  )
117135  e_0_4_1 = zetb*( &
117136  +c3*e_0_4_0&
117137  +2*e_1_4_0 &
117138  )
117139  e_1_4_1 = zetb*( c1*e_0_4_0 &
117140  +c3*e_1_4_0&
117141  +4*e_2_4_0 &
117142  )
117143  e_2_4_1 = zetb*( c1*e_1_4_0 &
117144  +c3*e_2_4_0&
117145  +6*e_3_4_0 &
117146  )
117147  e_3_4_1 = zetb*( c1*e_2_4_0 &
117148  +c3*e_3_4_0&
117149  +8*e_4_4_0 &
117150  )
117151  e_4_4_1 = zetb*( c1*e_3_4_0 &
117152  +c3*e_4_4_0&
117153 
117154  )
117155  e_5_4_1 = zetb*( c1*e_4_4_0 &
117156 
117157 
117158  )
117159  e_0_1_1 = zeta*( &
117160  +c2*e_0_0_1&
117161  +2*e_1_0_1 &
117162  )
117163  e_0_0_2 = zetb*( &
117164  +c3*e_0_0_1&
117165  +2*e_1_0_1 &
117166  -2*e_0_0_0)
117167  e_1_1_1 = zeta*( c1*e_0_0_1 &
117168  +c2*e_1_0_1&
117169 
117170  )
117171  e_1_0_2 = zetb*( c1*e_0_0_1 &
117172  +c3*e_1_0_1&
117173 
117174  )
117175  e_2_1_1 = zeta*( c1*e_1_0_1 &
117176 
117177 
117178  )
117179  e_2_0_2 = zetb*( c1*e_1_0_1 &
117180 
117181 
117182  )
117183  e_0_2_1 = zeta*( &
117184  +c2*e_0_1_1&
117185  +2*e_1_1_1 &
117186  -2*e_0_0_1)
117187  e_0_1_2 = zetb*( &
117188  +c3*e_0_1_1&
117189  +2*e_1_1_1 &
117190  -2*e_0_1_0)
117191  e_1_2_1 = zeta*( c1*e_0_1_1 &
117192  +c2*e_1_1_1&
117193  +4*e_2_1_1 &
117194  -2*e_1_0_1)
117195  e_1_1_2 = zetb*( c1*e_0_1_1 &
117196  +c3*e_1_1_1&
117197  +4*e_2_1_1 &
117198  -2*e_1_1_0)
117199  e_2_2_1 = zeta*( c1*e_1_1_1 &
117200  +c2*e_2_1_1&
117201 
117202  )
117203  e_2_1_2 = zetb*( c1*e_1_1_1 &
117204  +c3*e_2_1_1&
117205 
117206  )
117207  e_3_2_1 = zeta*( c1*e_2_1_1 &
117208 
117209 
117210  )
117211  e_3_1_2 = zetb*( c1*e_2_1_1 &
117212 
117213 
117214  )
117215  e_0_3_1 = zeta*( &
117216  +c2*e_0_2_1&
117217  +2*e_1_2_1 &
117218  -4*e_0_1_1)
117219  e_0_2_2 = zetb*( &
117220  +c3*e_0_2_1&
117221  +2*e_1_2_1 &
117222  -2*e_0_2_0)
117223  e_1_3_1 = zeta*( c1*e_0_2_1 &
117224  +c2*e_1_2_1&
117225  +4*e_2_2_1 &
117226  -4*e_1_1_1)
117227  e_1_2_2 = zetb*( c1*e_0_2_1 &
117228  +c3*e_1_2_1&
117229  +4*e_2_2_1 &
117230  -2*e_1_2_0)
117231  e_2_3_1 = zeta*( c1*e_1_2_1 &
117232  +c2*e_2_2_1&
117233  +6*e_3_2_1 &
117234  -4*e_2_1_1)
117235  e_2_2_2 = zetb*( c1*e_1_2_1 &
117236  +c3*e_2_2_1&
117237  +6*e_3_2_1 &
117238  -2*e_2_2_0)
117239  e_3_3_1 = zeta*( c1*e_2_2_1 &
117240  +c2*e_3_2_1&
117241 
117242  )
117243  e_3_2_2 = zetb*( c1*e_2_2_1 &
117244  +c3*e_3_2_1&
117245 
117246  )
117247  e_4_3_1 = zeta*( c1*e_3_2_1 &
117248 
117249 
117250  )
117251  e_4_2_2 = zetb*( c1*e_3_2_1 &
117252 
117253 
117254  )
117255  e_0_4_1 = zeta*( &
117256  +c2*e_0_3_1&
117257  +2*e_1_3_1 &
117258  -6*e_0_2_1)
117259  e_0_3_2 = zetb*( &
117260  +c3*e_0_3_1&
117261  +2*e_1_3_1 &
117262  -2*e_0_3_0)
117263  e_1_4_1 = zeta*( c1*e_0_3_1 &
117264  +c2*e_1_3_1&
117265  +4*e_2_3_1 &
117266  -6*e_1_2_1)
117267  e_1_3_2 = zetb*( c1*e_0_3_1 &
117268  +c3*e_1_3_1&
117269  +4*e_2_3_1 &
117270  -2*e_1_3_0)
117271  e_2_4_1 = zeta*( c1*e_1_3_1 &
117272  +c2*e_2_3_1&
117273  +6*e_3_3_1 &
117274  -6*e_2_2_1)
117275  e_2_3_2 = zetb*( c1*e_1_3_1 &
117276  +c3*e_2_3_1&
117277  +6*e_3_3_1 &
117278  -2*e_2_3_0)
117279  e_3_4_1 = zeta*( c1*e_2_3_1 &
117280  +c2*e_3_3_1&
117281  +8*e_4_3_1 &
117282  -6*e_3_2_1)
117283  e_3_3_2 = zetb*( c1*e_2_3_1 &
117284  +c3*e_3_3_1&
117285  +8*e_4_3_1 &
117286  -2*e_3_3_0)
117287  e_4_4_1 = zeta*( c1*e_3_3_1 &
117288  +c2*e_4_3_1&
117289 
117290  )
117291  e_4_3_2 = zetb*( c1*e_3_3_1 &
117292  +c3*e_4_3_1&
117293 
117294  )
117295  e_5_4_1 = zeta*( c1*e_4_3_1 &
117296 
117297 
117298  )
117299  e_5_3_2 = zetb*( c1*e_4_3_1 &
117300 
117301 
117302  )
117303  e_0_4_2 = zetb*( &
117304  +c3*e_0_4_1&
117305  +2*e_1_4_1 &
117306  -2*e_0_4_0)
117307  e_1_4_2 = zetb*( c1*e_0_4_1 &
117308  +c3*e_1_4_1&
117309  +4*e_2_4_1 &
117310  -2*e_1_4_0)
117311  e_2_4_2 = zetb*( c1*e_1_4_1 &
117312  +c3*e_2_4_1&
117313  +6*e_3_4_1 &
117314  -2*e_2_4_0)
117315  e_3_4_2 = zetb*( c1*e_2_4_1 &
117316  +c3*e_3_4_1&
117317  +8*e_4_4_1 &
117318  -2*e_3_4_0)
117319  e_4_4_2 = zetb*( c1*e_3_4_1 &
117320  +c3*e_4_4_1&
117321  +10*e_5_4_1 &
117322  -2*e_4_4_0)
117323  e_5_4_2 = zetb*( c1*e_4_4_1 &
117324  +c3*e_5_4_1&
117325 
117326  )
117327  e_6_4_2 = zetb*( c1*e_5_4_1 &
117328 
117329 
117330  )
117331  e_0_1_2 = zeta*( &
117332  +c2*e_0_0_2&
117333  +2*e_1_0_2 &
117334  )
117335  e_0_0_3 = zetb*( &
117336  +c3*e_0_0_2&
117337  +2*e_1_0_2 &
117338  -4*e_0_0_1)
117339  e_1_1_2 = zeta*( c1*e_0_0_2 &
117340  +c2*e_1_0_2&
117341  +4*e_2_0_2 &
117342  )
117343  e_1_0_3 = zetb*( c1*e_0_0_2 &
117344  +c3*e_1_0_2&
117345  +4*e_2_0_2 &
117346  -4*e_1_0_1)
117347  e_2_1_2 = zeta*( c1*e_1_0_2 &
117348  +c2*e_2_0_2&
117349 
117350  )
117351  e_2_0_3 = zetb*( c1*e_1_0_2 &
117352  +c3*e_2_0_2&
117353 
117354  )
117355  e_3_1_2 = zeta*( c1*e_2_0_2 &
117356 
117357 
117358  )
117359  e_3_0_3 = zetb*( c1*e_2_0_2 &
117360 
117361 
117362  )
117363  e_0_2_2 = zeta*( &
117364  +c2*e_0_1_2&
117365  +2*e_1_1_2 &
117366  -2*e_0_0_2)
117367  e_0_1_3 = zetb*( &
117368  +c3*e_0_1_2&
117369  +2*e_1_1_2 &
117370  -4*e_0_1_1)
117371  e_1_2_2 = zeta*( c1*e_0_1_2 &
117372  +c2*e_1_1_2&
117373  +4*e_2_1_2 &
117374  -2*e_1_0_2)
117375  e_1_1_3 = zetb*( c1*e_0_1_2 &
117376  +c3*e_1_1_2&
117377  +4*e_2_1_2 &
117378  -4*e_1_1_1)
117379  e_2_2_2 = zeta*( c1*e_1_1_2 &
117380  +c2*e_2_1_2&
117381  +6*e_3_1_2 &
117382  -2*e_2_0_2)
117383  e_2_1_3 = zetb*( c1*e_1_1_2 &
117384  +c3*e_2_1_2&
117385  +6*e_3_1_2 &
117386  -4*e_2_1_1)
117387  e_3_2_2 = zeta*( c1*e_2_1_2 &
117388  +c2*e_3_1_2&
117389 
117390  )
117391  e_3_1_3 = zetb*( c1*e_2_1_2 &
117392  +c3*e_3_1_2&
117393 
117394  )
117395  e_4_2_2 = zeta*( c1*e_3_1_2 &
117396 
117397 
117398  )
117399  e_4_1_3 = zetb*( c1*e_3_1_2 &
117400 
117401 
117402  )
117403  e_0_3_2 = zeta*( &
117404  +c2*e_0_2_2&
117405  +2*e_1_2_2 &
117406  -4*e_0_1_2)
117407  e_0_2_3 = zetb*( &
117408  +c3*e_0_2_2&
117409  +2*e_1_2_2 &
117410  -4*e_0_2_1)
117411  e_1_3_2 = zeta*( c1*e_0_2_2 &
117412  +c2*e_1_2_2&
117413  +4*e_2_2_2 &
117414  -4*e_1_1_2)
117415  e_1_2_3 = zetb*( c1*e_0_2_2 &
117416  +c3*e_1_2_2&
117417  +4*e_2_2_2 &
117418  -4*e_1_2_1)
117419  e_2_3_2 = zeta*( c1*e_1_2_2 &
117420  +c2*e_2_2_2&
117421  +6*e_3_2_2 &
117422  -4*e_2_1_2)
117423  e_2_2_3 = zetb*( c1*e_1_2_2 &
117424  +c3*e_2_2_2&
117425  +6*e_3_2_2 &
117426  -4*e_2_2_1)
117427  e_3_3_2 = zeta*( c1*e_2_2_2 &
117428  +c2*e_3_2_2&
117429  +8*e_4_2_2 &
117430  -4*e_3_1_2)
117431  e_3_2_3 = zetb*( c1*e_2_2_2 &
117432  +c3*e_3_2_2&
117433  +8*e_4_2_2 &
117434  -4*e_3_2_1)
117435  e_4_3_2 = zeta*( c1*e_3_2_2 &
117436  +c2*e_4_2_2&
117437 
117438  )
117439  e_4_2_3 = zetb*( c1*e_3_2_2 &
117440  +c3*e_4_2_2&
117441 
117442  )
117443  e_5_3_2 = zeta*( c1*e_4_2_2 &
117444 
117445 
117446  )
117447  e_5_2_3 = zetb*( c1*e_4_2_2 &
117448 
117449 
117450  )
117451  e_0_4_2 = zeta*( &
117452  +c2*e_0_3_2&
117453  +2*e_1_3_2 &
117454  -6*e_0_2_2)
117455  e_0_3_3 = zetb*( &
117456  +c3*e_0_3_2&
117457  +2*e_1_3_2 &
117458  -4*e_0_3_1)
117459  e_1_4_2 = zeta*( c1*e_0_3_2 &
117460  +c2*e_1_3_2&
117461  +4*e_2_3_2 &
117462  -6*e_1_2_2)
117463  e_1_3_3 = zetb*( c1*e_0_3_2 &
117464  +c3*e_1_3_2&
117465  +4*e_2_3_2 &
117466  -4*e_1_3_1)
117467  e_2_4_2 = zeta*( c1*e_1_3_2 &
117468  +c2*e_2_3_2&
117469  +6*e_3_3_2 &
117470  -6*e_2_2_2)
117471  e_2_3_3 = zetb*( c1*e_1_3_2 &
117472  +c3*e_2_3_2&
117473  +6*e_3_3_2 &
117474  -4*e_2_3_1)
117475  e_3_4_2 = zeta*( c1*e_2_3_2 &
117476  +c2*e_3_3_2&
117477  +8*e_4_3_2 &
117478  -6*e_3_2_2)
117479  e_3_3_3 = zetb*( c1*e_2_3_2 &
117480  +c3*e_3_3_2&
117481  +8*e_4_3_2 &
117482  -4*e_3_3_1)
117483  e_4_4_2 = zeta*( c1*e_3_3_2 &
117484  +c2*e_4_3_2&
117485  +10*e_5_3_2 &
117486  -6*e_4_2_2)
117487  e_4_3_3 = zetb*( c1*e_3_3_2 &
117488  +c3*e_4_3_2&
117489  +10*e_5_3_2 &
117490  -4*e_4_3_1)
117491  e_5_4_2 = zeta*( c1*e_4_3_2 &
117492  +c2*e_5_3_2&
117493 
117494  )
117495  e_5_3_3 = zetb*( c1*e_4_3_2 &
117496  +c3*e_5_3_2&
117497 
117498  )
117499  e_6_4_2 = zeta*( c1*e_5_3_2 &
117500 
117501 
117502  )
117503  e_6_3_3 = zetb*( c1*e_5_3_2 &
117504 
117505 
117506  )
117507  e_0_4_3 = zetb*( &
117508  +c3*e_0_4_2&
117509  +2*e_1_4_2 &
117510  -4*e_0_4_1)
117511  e_1_4_3 = zetb*( c1*e_0_4_2 &
117512  +c3*e_1_4_2&
117513  +4*e_2_4_2 &
117514  -4*e_1_4_1)
117515  e_2_4_3 = zetb*( c1*e_1_4_2 &
117516  +c3*e_2_4_2&
117517  +6*e_3_4_2 &
117518  -4*e_2_4_1)
117519  e_3_4_3 = zetb*( c1*e_2_4_2 &
117520  +c3*e_3_4_2&
117521  +8*e_4_4_2 &
117522  -4*e_3_4_1)
117523  e_4_4_3 = zetb*( c1*e_3_4_2 &
117524  +c3*e_4_4_2&
117525  +10*e_5_4_2 &
117526  -4*e_4_4_1)
117527  e_5_4_3 = zetb*( c1*e_4_4_2 &
117528  +c3*e_5_4_2&
117529  +12*e_6_4_2 &
117530  -4*e_5_4_1)
117531  e_6_4_3 = zetb*( c1*e_5_4_2 &
117532  +c3*e_6_4_2&
117533 
117534  )
117535  e_7_4_3 = zetb*( c1*e_6_4_2 &
117536 
117537 
117538  )
117539  e_0_1_3 = zeta*( &
117540  +c2*e_0_0_3&
117541  +2*e_1_0_3 &
117542  )
117543  e_0_0_4 = zetb*( &
117544  +c3*e_0_0_3&
117545  +2*e_1_0_3 &
117546  -6*e_0_0_2)
117547  e_1_1_3 = zeta*( c1*e_0_0_3 &
117548  +c2*e_1_0_3&
117549  +4*e_2_0_3 &
117550  )
117551  e_1_0_4 = zetb*( c1*e_0_0_3 &
117552  +c3*e_1_0_3&
117553  +4*e_2_0_3 &
117554  -6*e_1_0_2)
117555  e_2_1_3 = zeta*( c1*e_1_0_3 &
117556  +c2*e_2_0_3&
117557  +6*e_3_0_3 &
117558  )
117559  e_2_0_4 = zetb*( c1*e_1_0_3 &
117560  +c3*e_2_0_3&
117561  +6*e_3_0_3 &
117562  -6*e_2_0_2)
117563  e_3_1_3 = zeta*( c1*e_2_0_3 &
117564  +c2*e_3_0_3&
117565 
117566  )
117567  e_3_0_4 = zetb*( c1*e_2_0_3 &
117568  +c3*e_3_0_3&
117569 
117570  )
117571  e_4_1_3 = zeta*( c1*e_3_0_3 &
117572 
117573 
117574  )
117575  e_4_0_4 = zetb*( c1*e_3_0_3 &
117576 
117577 
117578  )
117579  e_0_2_3 = zeta*( &
117580  +c2*e_0_1_3&
117581  +2*e_1_1_3 &
117582  -2*e_0_0_3)
117583  e_0_1_4 = zetb*( &
117584  +c3*e_0_1_3&
117585  +2*e_1_1_3 &
117586  -6*e_0_1_2)
117587  e_1_2_3 = zeta*( c1*e_0_1_3 &
117588  +c2*e_1_1_3&
117589  +4*e_2_1_3 &
117590  -2*e_1_0_3)
117591  e_1_1_4 = zetb*( c1*e_0_1_3 &
117592  +c3*e_1_1_3&
117593  +4*e_2_1_3 &
117594  -6*e_1_1_2)
117595  e_2_2_3 = zeta*( c1*e_1_1_3 &
117596  +c2*e_2_1_3&
117597  +6*e_3_1_3 &
117598  -2*e_2_0_3)
117599  e_2_1_4 = zetb*( c1*e_1_1_3 &
117600  +c3*e_2_1_3&
117601  +6*e_3_1_3 &
117602  -6*e_2_1_2)
117603  e_3_2_3 = zeta*( c1*e_2_1_3 &
117604  +c2*e_3_1_3&
117605  +8*e_4_1_3 &
117606  -2*e_3_0_3)
117607  e_3_1_4 = zetb*( c1*e_2_1_3 &
117608  +c3*e_3_1_3&
117609  +8*e_4_1_3 &
117610  -6*e_3_1_2)
117611  e_4_2_3 = zeta*( c1*e_3_1_3 &
117612  +c2*e_4_1_3&
117613 
117614  )
117615  e_4_1_4 = zetb*( c1*e_3_1_3 &
117616  +c3*e_4_1_3&
117617 
117618  )
117619  e_5_2_3 = zeta*( c1*e_4_1_3 &
117620 
117621 
117622  )
117623  e_5_1_4 = zetb*( c1*e_4_1_3 &
117624 
117625 
117626  )
117627  e_0_3_3 = zeta*( &
117628  +c2*e_0_2_3&
117629  +2*e_1_2_3 &
117630  -4*e_0_1_3)
117631  e_0_2_4 = zetb*( &
117632  +c3*e_0_2_3&
117633  +2*e_1_2_3 &
117634  -6*e_0_2_2)
117635  e_1_3_3 = zeta*( c1*e_0_2_3 &
117636  +c2*e_1_2_3&
117637  +4*e_2_2_3 &
117638  -4*e_1_1_3)
117639  e_1_2_4 = zetb*( c1*e_0_2_3 &
117640  +c3*e_1_2_3&
117641  +4*e_2_2_3 &
117642  -6*e_1_2_2)
117643  e_2_3_3 = zeta*( c1*e_1_2_3 &
117644  +c2*e_2_2_3&
117645  +6*e_3_2_3 &
117646  -4*e_2_1_3)
117647  e_2_2_4 = zetb*( c1*e_1_2_3 &
117648  +c3*e_2_2_3&
117649  +6*e_3_2_3 &
117650  -6*e_2_2_2)
117651  e_3_3_3 = zeta*( c1*e_2_2_3 &
117652  +c2*e_3_2_3&
117653  +8*e_4_2_3 &
117654  -4*e_3_1_3)
117655  e_3_2_4 = zetb*( c1*e_2_2_3 &
117656  +c3*e_3_2_3&
117657  +8*e_4_2_3 &
117658  -6*e_3_2_2)
117659  e_4_3_3 = zeta*( c1*e_3_2_3 &
117660  +c2*e_4_2_3&
117661  +10*e_5_2_3 &
117662  -4*e_4_1_3)
117663  e_4_2_4 = zetb*( c1*e_3_2_3 &
117664  +c3*e_4_2_3&
117665  +10*e_5_2_3 &
117666  -6*e_4_2_2)
117667  e_5_3_3 = zeta*( c1*e_4_2_3 &
117668  +c2*e_5_2_3&
117669 
117670  )
117671  e_5_2_4 = zetb*( c1*e_4_2_3 &
117672  +c3*e_5_2_3&
117673 
117674  )
117675  e_6_3_3 = zeta*( c1*e_5_2_3 &
117676 
117677 
117678  )
117679  e_6_2_4 = zetb*( c1*e_5_2_3 &
117680 
117681 
117682  )
117683  e_0_4_3 = zeta*( &
117684  +c2*e_0_3_3&
117685  +2*e_1_3_3 &
117686  -6*e_0_2_3)
117687  e_0_3_4 = zetb*( &
117688  +c3*e_0_3_3&
117689  +2*e_1_3_3 &
117690  -6*e_0_3_2)
117691  e_1_4_3 = zeta*( c1*e_0_3_3 &
117692  +c2*e_1_3_3&
117693  +4*e_2_3_3 &
117694  -6*e_1_2_3)
117695  e_1_3_4 = zetb*( c1*e_0_3_3 &
117696  +c3*e_1_3_3&
117697  +4*e_2_3_3 &
117698  -6*e_1_3_2)
117699  e_2_4_3 = zeta*( c1*e_1_3_3 &
117700  +c2*e_2_3_3&
117701  +6*e_3_3_3 &
117702  -6*e_2_2_3)
117703  e_2_3_4 = zetb*( c1*e_1_3_3 &
117704  +c3*e_2_3_3&
117705  +6*e_3_3_3 &
117706  -6*e_2_3_2)
117707  e_3_4_3 = zeta*( c1*e_2_3_3 &
117708  +c2*e_3_3_3&
117709  +8*e_4_3_3 &
117710  -6*e_3_2_3)
117711  e_3_3_4 = zetb*( c1*e_2_3_3 &
117712  +c3*e_3_3_3&
117713  +8*e_4_3_3 &
117714  -6*e_3_3_2)
117715  e_4_4_3 = zeta*( c1*e_3_3_3 &
117716  +c2*e_4_3_3&
117717  +10*e_5_3_3 &
117718  -6*e_4_2_3)
117719  e_4_3_4 = zetb*( c1*e_3_3_3 &
117720  +c3*e_4_3_3&
117721  +10*e_5_3_3 &
117722  -6*e_4_3_2)
117723  e_5_4_3 = zeta*( c1*e_4_3_3 &
117724  +c2*e_5_3_3&
117725  +12*e_6_3_3 &
117726  -6*e_5_2_3)
117727  e_5_3_4 = zetb*( c1*e_4_3_3 &
117728  +c3*e_5_3_3&
117729  +12*e_6_3_3 &
117730  -6*e_5_3_2)
117731  e_6_4_3 = zeta*( c1*e_5_3_3 &
117732  +c2*e_6_3_3&
117733 
117734  )
117735  e_6_3_4 = zetb*( c1*e_5_3_3 &
117736  +c3*e_6_3_3&
117737 
117738  )
117739  e_7_4_3 = zeta*( c1*e_6_3_3 &
117740 
117741 
117742  )
117743  e_7_3_4 = zetb*( c1*e_6_3_3 &
117744 
117745 
117746  )
117747  e_0_4_4 = zetb*( &
117748  +c3*e_0_4_3&
117749  +2*e_1_4_3 &
117750  -6*e_0_4_2)
117751  e_1_4_4 = zetb*( c1*e_0_4_3 &
117752  +c3*e_1_4_3&
117753  +4*e_2_4_3 &
117754  -6*e_1_4_2)
117755  e_2_4_4 = zetb*( c1*e_1_4_3 &
117756  +c3*e_2_4_3&
117757  +6*e_3_4_3 &
117758  -6*e_2_4_2)
117759  e_3_4_4 = zetb*( c1*e_2_4_3 &
117760  +c3*e_3_4_3&
117761  +8*e_4_4_3 &
117762  -6*e_3_4_2)
117763  e_4_4_4 = zetb*( c1*e_3_4_3 &
117764  +c3*e_4_4_3&
117765  +10*e_5_4_3 &
117766  -6*e_4_4_2)
117767  e_5_4_4 = zetb*( c1*e_4_4_3 &
117768  +c3*e_5_4_3&
117769  +12*e_6_4_3 &
117770  -6*e_5_4_2)
117771  e_6_4_4 = zetb*( c1*e_5_4_3 &
117772  +c3*e_6_4_3&
117773  +14*e_7_4_3 &
117774  -6*e_6_4_2)
117775  e_7_4_4 = zetb*( c1*e_6_4_3 &
117776  +c3*e_7_4_3&
117777 
117778  )
117779  e_8_4_4 = zetb*( c1*e_7_4_3 &
117780 
117781 
117782  )
117783  e_0_1_4 = zeta*( &
117784  +c2*e_0_0_4&
117785  +2*e_1_0_4 &
117786  )
117787  e_1_1_4 = zeta*( c1*e_0_0_4 &
117788  +c2*e_1_0_4&
117789  +4*e_2_0_4 &
117790  )
117791  e_2_1_4 = zeta*( c1*e_1_0_4 &
117792  +c2*e_2_0_4&
117793  +6*e_3_0_4 &
117794  )
117795  e_3_1_4 = zeta*( c1*e_2_0_4 &
117796  +c2*e_3_0_4&
117797  +8*e_4_0_4 &
117798  )
117799  e_4_1_4 = zeta*( c1*e_3_0_4 &
117800  +c2*e_4_0_4&
117801 
117802  )
117803  e_5_1_4 = zeta*( c1*e_4_0_4 &
117804 
117805 
117806  )
117807  e_0_2_4 = zeta*( &
117808  +c2*e_0_1_4&
117809  +2*e_1_1_4 &
117810  -2*e_0_0_4)
117811  e_1_2_4 = zeta*( c1*e_0_1_4 &
117812  +c2*e_1_1_4&
117813  +4*e_2_1_4 &
117814  -2*e_1_0_4)
117815  e_2_2_4 = zeta*( c1*e_1_1_4 &
117816  +c2*e_2_1_4&
117817  +6*e_3_1_4 &
117818  -2*e_2_0_4)
117819  e_3_2_4 = zeta*( c1*e_2_1_4 &
117820  +c2*e_3_1_4&
117821  +8*e_4_1_4 &
117822  -2*e_3_0_4)
117823  e_4_2_4 = zeta*( c1*e_3_1_4 &
117824  +c2*e_4_1_4&
117825  +10*e_5_1_4 &
117826  -2*e_4_0_4)
117827  e_5_2_4 = zeta*( c1*e_4_1_4 &
117828  +c2*e_5_1_4&
117829 
117830  )
117831  e_6_2_4 = zeta*( c1*e_5_1_4 &
117832 
117833 
117834  )
117835  e_0_3_4 = zeta*( &
117836  +c2*e_0_2_4&
117837  +2*e_1_2_4 &
117838  -4*e_0_1_4)
117839  e_1_3_4 = zeta*( c1*e_0_2_4 &
117840  +c2*e_1_2_4&
117841  +4*e_2_2_4 &
117842  -4*e_1_1_4)
117843  e_2_3_4 = zeta*( c1*e_1_2_4 &
117844  +c2*e_2_2_4&
117845  +6*e_3_2_4 &
117846  -4*e_2_1_4)
117847  e_3_3_4 = zeta*( c1*e_2_2_4 &
117848  +c2*e_3_2_4&
117849  +8*e_4_2_4 &
117850  -4*e_3_1_4)
117851  e_4_3_4 = zeta*( c1*e_3_2_4 &
117852  +c2*e_4_2_4&
117853  +10*e_5_2_4 &
117854  -4*e_4_1_4)
117855  e_5_3_4 = zeta*( c1*e_4_2_4 &
117856  +c2*e_5_2_4&
117857  +12*e_6_2_4 &
117858  -4*e_5_1_4)
117859  e_6_3_4 = zeta*( c1*e_5_2_4 &
117860  +c2*e_6_2_4&
117861 
117862  )
117863  e_7_3_4 = zeta*( c1*e_6_2_4 &
117864 
117865 
117866  )
117867  e_0_4_4 = zeta*( &
117868  +c2*e_0_3_4&
117869  +2*e_1_3_4 &
117870  -6*e_0_2_4)
117871  e_1_4_4 = zeta*( c1*e_0_3_4 &
117872  +c2*e_1_3_4&
117873  +4*e_2_3_4 &
117874  -6*e_1_2_4)
117875  e_2_4_4 = zeta*( c1*e_1_3_4 &
117876  +c2*e_2_3_4&
117877  +6*e_3_3_4 &
117878  -6*e_2_2_4)
117879  e_3_4_4 = zeta*( c1*e_2_3_4 &
117880  +c2*e_3_3_4&
117881  +8*e_4_3_4 &
117882  -6*e_3_2_4)
117883  e_4_4_4 = zeta*( c1*e_3_3_4 &
117884  +c2*e_4_3_4&
117885  +10*e_5_3_4 &
117886  -6*e_4_2_4)
117887  e_5_4_4 = zeta*( c1*e_4_3_4 &
117888  +c2*e_5_3_4&
117889  +12*e_6_3_4 &
117890  -6*e_5_2_4)
117891  e_6_4_4 = zeta*( c1*e_5_3_4 &
117892  +c2*e_6_3_4&
117893  +14*e_7_3_4 &
117894  -6*e_6_2_4)
117895  e_7_4_4 = zeta*( c1*e_6_3_4 &
117896  +c2*e_7_3_4&
117897 
117898  )
117899  e_8_4_4 = zeta*( c1*e_7_3_4 &
117900 
117901 
117902  )
117903 
117904  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
117905  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
117906  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
117907  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
117908  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
117909  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
117910  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
117911  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
117912  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
117913  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
117914  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
117915  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
117916  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
117917  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
117918  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
117919  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
117920  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
117921  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
117922  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
117923  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
117924  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
117925  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
117926  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
117927  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
117928  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
117929  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
117930  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
117931  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
117932  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
117933  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
117934  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
117935  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
117936  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
117937  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
117938  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
117939  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
117940  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
117941  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
117942  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
117943  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
117944  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
117945  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
117946  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
117947  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
117948  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
117949  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
117950  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
117951  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
117952  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
117953  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
117954  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
117955  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
117956  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
117957  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
117958  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
117959  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
117960  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
117961  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
117962  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
117963  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
117964  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
117965  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
117966  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
117967  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
117968  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
117969  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
117970  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
117971  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
117972  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
117973  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
117974  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
117975  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
117976  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
117977  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
117978  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
117979  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
117980  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
117981  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
117982  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
117983  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
117984  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
117985  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
117986  s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
117987  s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
117988  s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
117989  s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
117990  s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
117991  s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
117992  s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
117993  s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
117994  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
117995  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
117996  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
117997  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
117998  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
117999  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
118000  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
118001  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
118002  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
118003  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
118004  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
118005  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
118006  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
118007  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
118008  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
118009  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
118010  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
118011  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
118012  s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
118013  s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
118014  s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
118015  s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
118016  s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
118017  s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
118018  s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
118019  s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
118020  s_r(4, 4, 0) = s_r(4, 4, 0) + e_0_4_4*(1)*s_r_t2_0 ! cost: 5 flops
118021  s_r(4, 4, 0) = s_r(4, 4, 0) + e_1_4_4*(1)*s_r_t2_1 ! cost: 5 flops
118022  s_r(4, 4, 0) = s_r(4, 4, 0) + e_2_4_4*(1)*s_r_t2_2 ! cost: 5 flops
118023  s_r(4, 4, 0) = s_r(4, 4, 0) + e_3_4_4*(1)*s_r_t2_3 ! cost: 5 flops
118024  s_r(4, 4, 0) = s_r(4, 4, 0) + e_4_4_4*(1)*s_r_t2_4 ! cost: 5 flops
118025  s_r(4, 4, 0) = s_r(4, 4, 0) + e_5_4_4*(1)*s_r_t2_5 ! cost: 5 flops
118026  s_r(4, 4, 0) = s_r(4, 4, 0) + e_6_4_4*(1)*s_r_t2_6 ! cost: 5 flops
118027  s_r(4, 4, 0) = s_r(4, 4, 0) + e_7_4_4*(1)*s_r_t2_7 ! cost: 5 flops
118028  s_r(4, 4, 0) = s_r(4, 4, 0) + e_8_4_4*(1)*s_r_t2_8 ! cost: 5 flops
118029  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
118030  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
118031  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
118032  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
118033  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
118034  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
118035  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
118036  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
118037  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
118038  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
118039  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
118040  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
118041  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
118042  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
118043  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
118044  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
118045  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
118046  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
118047  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
118048  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
118049  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
118050  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
118051  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
118052  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
118053  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
118054  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
118055  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
118056  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
118057  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
118058  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
118059  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
118060  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
118061  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
118062  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
118063  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
118064  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
118065  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
118066  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
118067  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
118068  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
118069  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
118070  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
118071  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
118072  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
118073  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
118074  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
118075  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
118076  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
118077  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
118078  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
118079  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
118080  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
118081  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
118082  s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
118083  s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
118084  s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
118085  s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
118086  s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
118087  s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
118088  s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
118089  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
118090  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
118091  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
118092  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
118093  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
118094  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
118095  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
118096  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
118097  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
118098  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
118099  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
118100  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
118101  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
118102  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
118103  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
118104  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
118105  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
118106  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
118107  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
118108  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
118109  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
118110  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
118111  s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
118112  s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
118113  s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
118114  s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
118115  s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
118116  s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
118117  s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
118118  s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
118119  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
118120  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
118121  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
118122  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
118123  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
118124  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
118125  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
118126  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
118127  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
118128  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
118129  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
118130  s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
118131  s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
118132  s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
118133  s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
118134  s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
118135  s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
118136  s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
118137  s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
118138  s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
118139  s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
118140  s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
118141  s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
118142  s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
118143  s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
118144  s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
118145  s_r(4, 4, 1) = s_r(4, 4, 1) + e_0_4_4*(-1)*s_r_t2_1 ! cost: 5 flops
118146  s_r(4, 4, 1) = s_r(4, 4, 1) + e_1_4_4*(-1)*s_r_t2_2 ! cost: 5 flops
118147  s_r(4, 4, 1) = s_r(4, 4, 1) + e_2_4_4*(-1)*s_r_t2_3 ! cost: 5 flops
118148  s_r(4, 4, 1) = s_r(4, 4, 1) + e_3_4_4*(-1)*s_r_t2_4 ! cost: 5 flops
118149  s_r(4, 4, 1) = s_r(4, 4, 1) + e_4_4_4*(-1)*s_r_t2_5 ! cost: 5 flops
118150  s_r(4, 4, 1) = s_r(4, 4, 1) + e_5_4_4*(-1)*s_r_t2_6 ! cost: 5 flops
118151  s_r(4, 4, 1) = s_r(4, 4, 1) + e_6_4_4*(-1)*s_r_t2_7 ! cost: 5 flops
118152  s_r(4, 4, 1) = s_r(4, 4, 1) + e_7_4_4*(-1)*s_r_t2_8 ! cost: 5 flops
118153  s_r(4, 4, 1) = s_r(4, 4, 1) + e_8_4_4*(-1)*s_r_t2_9 ! cost: 5 flops
118154  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
118155  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
118156  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
118157  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
118158  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
118159  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
118160  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
118161  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
118162  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
118163  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
118164  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
118165  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
118166  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
118167  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
118168  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
118169  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
118170  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
118171  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
118172  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
118173  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
118174  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
118175  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
118176  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
118177  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
118178  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
118179  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
118180  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
118181  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
118182  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
118183  s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
118184  s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
118185  s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
118186  s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
118187  s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
118188  s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
118189  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
118190  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
118191  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
118192  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
118193  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
118194  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
118195  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
118196  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
118197  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
118198  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
118199  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
118200  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
118201  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
118202  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
118203  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
118204  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
118205  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
118206  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
118207  s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
118208  s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
118209  s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
118210  s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
118211  s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
118212  s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
118213  s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
118214  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
118215  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
118216  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
118217  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
118218  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
118219  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
118220  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
118221  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
118222  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
118223  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
118224  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
118225  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
118226  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
118227  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
118228  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
118229  s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
118230  s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
118231  s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
118232  s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
118233  s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
118234  s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
118235  s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
118236  s_r(4, 3, 2) = s_r(4, 3, 2) + e_0_4_3*(1)*s_r_t2_2 ! cost: 5 flops
118237  s_r(4, 3, 2) = s_r(4, 3, 2) + e_1_4_3*(1)*s_r_t2_3 ! cost: 5 flops
118238  s_r(4, 3, 2) = s_r(4, 3, 2) + e_2_4_3*(1)*s_r_t2_4 ! cost: 5 flops
118239  s_r(4, 3, 2) = s_r(4, 3, 2) + e_3_4_3*(1)*s_r_t2_5 ! cost: 5 flops
118240  s_r(4, 3, 2) = s_r(4, 3, 2) + e_4_4_3*(1)*s_r_t2_6 ! cost: 5 flops
118241  s_r(4, 3, 2) = s_r(4, 3, 2) + e_5_4_3*(1)*s_r_t2_7 ! cost: 5 flops
118242  s_r(4, 3, 2) = s_r(4, 3, 2) + e_6_4_3*(1)*s_r_t2_8 ! cost: 5 flops
118243  s_r(4, 3, 2) = s_r(4, 3, 2) + e_7_4_3*(1)*s_r_t2_9 ! cost: 5 flops
118244  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
118245  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
118246  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
118247  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
118248  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
118249  s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
118250  s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
118251  s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
118252  s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
118253  s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
118254  s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
118255  s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
118256  s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
118257  s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
118258  s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
118259  s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
118260  s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
118261  s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
118262  s_r(3, 4, 2) = s_r(3, 4, 2) + e_0_3_4*(1)*s_r_t2_2 ! cost: 5 flops
118263  s_r(3, 4, 2) = s_r(3, 4, 2) + e_1_3_4*(1)*s_r_t2_3 ! cost: 5 flops
118264  s_r(3, 4, 2) = s_r(3, 4, 2) + e_2_3_4*(1)*s_r_t2_4 ! cost: 5 flops
118265  s_r(3, 4, 2) = s_r(3, 4, 2) + e_3_3_4*(1)*s_r_t2_5 ! cost: 5 flops
118266  s_r(3, 4, 2) = s_r(3, 4, 2) + e_4_3_4*(1)*s_r_t2_6 ! cost: 5 flops
118267  s_r(3, 4, 2) = s_r(3, 4, 2) + e_5_3_4*(1)*s_r_t2_7 ! cost: 5 flops
118268  s_r(3, 4, 2) = s_r(3, 4, 2) + e_6_3_4*(1)*s_r_t2_8 ! cost: 5 flops
118269  s_r(3, 4, 2) = s_r(3, 4, 2) + e_7_3_4*(1)*s_r_t2_9 ! cost: 5 flops
118270  s_r(4, 4, 2) = s_r(4, 4, 2) + e_0_4_4*(1)*s_r_t2_2 ! cost: 5 flops
118271  s_r(4, 4, 2) = s_r(4, 4, 2) + e_1_4_4*(1)*s_r_t2_3 ! cost: 5 flops
118272  s_r(4, 4, 2) = s_r(4, 4, 2) + e_2_4_4*(1)*s_r_t2_4 ! cost: 5 flops
118273  s_r(4, 4, 2) = s_r(4, 4, 2) + e_3_4_4*(1)*s_r_t2_5 ! cost: 5 flops
118274  s_r(4, 4, 2) = s_r(4, 4, 2) + e_4_4_4*(1)*s_r_t2_6 ! cost: 5 flops
118275  s_r(4, 4, 2) = s_r(4, 4, 2) + e_5_4_4*(1)*s_r_t2_7 ! cost: 5 flops
118276  s_r(4, 4, 2) = s_r(4, 4, 2) + e_6_4_4*(1)*s_r_t2_8 ! cost: 5 flops
118277  s_r(4, 4, 2) = s_r(4, 4, 2) + e_7_4_4*(1)*s_r_t2_9 ! cost: 5 flops
118278  s_r(4, 4, 2) = s_r(4, 4, 2) + e_8_4_4*(1)*s_r_t2_10 ! cost: 5 flops
118279  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
118280  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
118281  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
118282  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
118283  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
118284  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
118285  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
118286  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
118287  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
118288  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
118289  s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
118290  s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
118291  s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
118292  s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
118293  s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
118294  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
118295  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
118296  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
118297  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
118298  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
118299  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
118300  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
118301  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
118302  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
118303  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
118304  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
118305  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
118306  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
118307  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
118308  s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
118309  s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
118310  s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
118311  s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
118312  s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
118313  s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
118314  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
118315  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
118316  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
118317  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
118318  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
118319  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
118320  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
118321  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
118322  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
118323  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
118324  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
118325  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
118326  s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
118327  s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
118328  s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
118329  s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
118330  s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
118331  s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
118332  s_r(4, 2, 3) = s_r(4, 2, 3) + e_0_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
118333  s_r(4, 2, 3) = s_r(4, 2, 3) + e_1_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
118334  s_r(4, 2, 3) = s_r(4, 2, 3) + e_2_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
118335  s_r(4, 2, 3) = s_r(4, 2, 3) + e_3_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
118336  s_r(4, 2, 3) = s_r(4, 2, 3) + e_4_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
118337  s_r(4, 2, 3) = s_r(4, 2, 3) + e_5_4_2*(-1)*s_r_t2_8 ! cost: 5 flops
118338  s_r(4, 2, 3) = s_r(4, 2, 3) + e_6_4_2*(-1)*s_r_t2_9 ! cost: 5 flops
118339  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
118340  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
118341  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
118342  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
118343  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
118344  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
118345  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
118346  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
118347  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
118348  s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
118349  s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
118350  s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
118351  s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
118352  s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
118353  s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
118354  s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
118355  s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
118356  s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
118357  s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
118358  s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
118359  s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
118360  s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
118361  s_r(4, 3, 3) = s_r(4, 3, 3) + e_0_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
118362  s_r(4, 3, 3) = s_r(4, 3, 3) + e_1_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
118363  s_r(4, 3, 3) = s_r(4, 3, 3) + e_2_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
118364  s_r(4, 3, 3) = s_r(4, 3, 3) + e_3_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
118365  s_r(4, 3, 3) = s_r(4, 3, 3) + e_4_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
118366  s_r(4, 3, 3) = s_r(4, 3, 3) + e_5_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
118367  s_r(4, 3, 3) = s_r(4, 3, 3) + e_6_4_3*(-1)*s_r_t2_9 ! cost: 5 flops
118368  s_r(4, 3, 3) = s_r(4, 3, 3) + e_7_4_3*(-1)*s_r_t2_10 ! cost: 5 flops
118369  s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
118370  s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
118371  s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
118372  s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
118373  s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
118374  s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
118375  s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
118376  s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
118377  s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
118378  s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
118379  s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
118380  s_r(2, 4, 3) = s_r(2, 4, 3) + e_0_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
118381  s_r(2, 4, 3) = s_r(2, 4, 3) + e_1_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
118382  s_r(2, 4, 3) = s_r(2, 4, 3) + e_2_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
118383  s_r(2, 4, 3) = s_r(2, 4, 3) + e_3_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
118384  s_r(2, 4, 3) = s_r(2, 4, 3) + e_4_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
118385  s_r(2, 4, 3) = s_r(2, 4, 3) + e_5_2_4*(-1)*s_r_t2_8 ! cost: 5 flops
118386  s_r(2, 4, 3) = s_r(2, 4, 3) + e_6_2_4*(-1)*s_r_t2_9 ! cost: 5 flops
118387  s_r(3, 4, 3) = s_r(3, 4, 3) + e_0_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
118388  s_r(3, 4, 3) = s_r(3, 4, 3) + e_1_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
118389  s_r(3, 4, 3) = s_r(3, 4, 3) + e_2_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
118390  s_r(3, 4, 3) = s_r(3, 4, 3) + e_3_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
118391  s_r(3, 4, 3) = s_r(3, 4, 3) + e_4_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
118392  s_r(3, 4, 3) = s_r(3, 4, 3) + e_5_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
118393  s_r(3, 4, 3) = s_r(3, 4, 3) + e_6_3_4*(-1)*s_r_t2_9 ! cost: 5 flops
118394  s_r(3, 4, 3) = s_r(3, 4, 3) + e_7_3_4*(-1)*s_r_t2_10 ! cost: 5 flops
118395  s_r(4, 4, 3) = s_r(4, 4, 3) + e_0_4_4*(-1)*s_r_t2_3 ! cost: 5 flops
118396  s_r(4, 4, 3) = s_r(4, 4, 3) + e_1_4_4*(-1)*s_r_t2_4 ! cost: 5 flops
118397  s_r(4, 4, 3) = s_r(4, 4, 3) + e_2_4_4*(-1)*s_r_t2_5 ! cost: 5 flops
118398  s_r(4, 4, 3) = s_r(4, 4, 3) + e_3_4_4*(-1)*s_r_t2_6 ! cost: 5 flops
118399  s_r(4, 4, 3) = s_r(4, 4, 3) + e_4_4_4*(-1)*s_r_t2_7 ! cost: 5 flops
118400  s_r(4, 4, 3) = s_r(4, 4, 3) + e_5_4_4*(-1)*s_r_t2_8 ! cost: 5 flops
118401  s_r(4, 4, 3) = s_r(4, 4, 3) + e_6_4_4*(-1)*s_r_t2_9 ! cost: 5 flops
118402  s_r(4, 4, 3) = s_r(4, 4, 3) + e_7_4_4*(-1)*s_r_t2_10 ! cost: 5 flops
118403  s_r(4, 4, 3) = s_r(4, 4, 3) + e_8_4_4*(-1)*s_r_t2_11 ! cost: 5 flops
118404  r1 = r1 + dr
118405  END DO
118406 
118407  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
118408  END SUBROUTINE
118409  PURE SUBROUTINE pgf_sum_3c_rspace_1d_4_4_4_exp_1 ( &
118410  S_R, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_c)
118411  REAL(kind=dp), DIMENSION(0:, 0:, 0:), INTENT(OUT) :: s_r
118412  REAL(kind=dp), INTENT(IN) :: ra, rb, rc, zeta, zetb, zetc, a_mm, lgth
118413  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_c
118414  INTEGER :: rr1, rr2, rr2_l, rr2_r, rr1_l, rr1_r
118415  REAL(kind=dp) :: alpha, alpha_e, dr, exp2_rsq, r, r1, r_offset, &
118416  r_pow_t, r_tmp, rr1_delta, rr2_delta
118417 
118418  REAL(kind=dp) :: c1, c2, c3
118419  REAL(kind=dp) :: s_r_t_0, s_r_t_1, s_r_t_2, s_r_t_3, s_r_t_4, s_r_t_5, s_r_t_6, s_r_t_7, s_r_t_8, s_r_t_9,&
118420  & s_r_t_10, s_r_t_11, s_r_t_12
118421  REAL(kind=dp) :: s_r_t2_0, s_r_t2_1, s_r_t2_2, s_r_t2_3, s_r_t2_4, s_r_t2_5, s_r_t2_6, s_r_t2_7, s_r_t2_8,&
118422  & s_r_t2_9, s_r_t2_10, s_r_t2_11, s_r_t2_12
118423  REAL(kind=dp) :: h_to_c_0_0, h_to_c_0_1, h_to_c_1_1, h_to_c_0_2, h_to_c_1_2, h_to_c_2_2, h_to_c_0_3, h_to_c_1_3, h_to_c_2_3,&
118424  & h_to_c_3_3, h_to_c_0_4, h_to_c_1_4, h_to_c_2_4, h_to_c_3_4, h_to_c_4_4, h_to_c_0_5, h_to_c_1_5, h_to_c_2_5, h_to_c_3_5,&
118425  & h_to_c_4_5, h_to_c_5_5, h_to_c_0_6, h_to_c_1_6, h_to_c_2_6, h_to_c_3_6, h_to_c_4_6, h_to_c_5_6, h_to_c_6_6, h_to_c_0_7,&
118426  & h_to_c_1_7, h_to_c_2_7, h_to_c_3_7, h_to_c_4_7, h_to_c_5_7, h_to_c_6_7, h_to_c_7_7, h_to_c_0_8, h_to_c_1_8, h_to_c_2_8,&
118427  & h_to_c_3_8, h_to_c_4_8, h_to_c_5_8, h_to_c_6_8, h_to_c_7_8, h_to_c_8_8, h_to_c_0_9, h_to_c_1_9, h_to_c_2_9, h_to_c_3_9,&
118428  & h_to_c_4_9, h_to_c_5_9, h_to_c_6_9, h_to_c_7_9, h_to_c_8_9, h_to_c_9_9, h_to_c_0_10, h_to_c_1_10, h_to_c_2_10,&
118429  & h_to_c_3_10, h_to_c_4_10, h_to_c_5_10, h_to_c_6_10, h_to_c_7_10, h_to_c_8_10, h_to_c_9_10, h_to_c_10_10, h_to_c_0_11,&
118430  & h_to_c_1_11, h_to_c_2_11, h_to_c_3_11, h_to_c_4_11, h_to_c_5_11, h_to_c_6_11, h_to_c_7_11, h_to_c_8_11, h_to_c_9_11,&
118431  & h_to_c_10_11, h_to_c_11_11, h_to_c_0_12, h_to_c_1_12, h_to_c_2_12, h_to_c_3_12, h_to_c_4_12, h_to_c_5_12, h_to_c_6_12,&
118432  & h_to_c_7_12, h_to_c_8_12, h_to_c_9_12, h_to_c_10_12, h_to_c_11_12, h_to_c_12_12
118433  REAL(kind=dp) :: e_0_0_0, e_0_1_0, e_1_1_0, e_0_2_0, e_1_2_0, e_2_2_0, e_0_3_0, e_1_3_0, e_2_3_0, e_3_3_0, e_0_4_0, e_1_4_0,&
118434  & e_2_4_0, e_3_4_0, e_4_4_0, e_0_0_1, e_1_0_1, e_0_1_1, e_1_1_1, e_2_1_1, e_0_2_1, e_1_2_1, e_2_2_1, e_3_2_1, e_0_3_1,&
118435  & e_1_3_1, e_2_3_1, e_3_3_1, e_4_3_1, e_0_4_1, e_1_4_1, e_2_4_1, e_3_4_1, e_4_4_1, e_5_4_1, e_0_0_2, e_1_0_2, e_2_0_2,&
118436  & e_0_1_2, e_1_1_2, e_2_1_2, e_3_1_2, e_0_2_2, e_1_2_2, e_2_2_2, e_3_2_2, e_4_2_2, e_0_3_2, e_1_3_2, e_2_3_2, e_3_3_2,&
118437  & e_4_3_2, e_5_3_2, e_0_4_2, e_1_4_2, e_2_4_2, e_3_4_2, e_4_4_2, e_5_4_2, e_6_4_2, e_0_0_3, e_1_0_3, e_2_0_3, e_3_0_3,&
118438  & e_0_1_3, e_1_1_3, e_2_1_3, e_3_1_3, e_4_1_3, e_0_2_3, e_1_2_3, e_2_2_3, e_3_2_3, e_4_2_3, e_5_2_3, e_0_3_3, e_1_3_3,&
118439  & e_2_3_3, e_3_3_3, e_4_3_3, e_5_3_3, e_6_3_3, e_0_4_3, e_1_4_3, e_2_4_3, e_3_4_3, e_4_4_3, e_5_4_3, e_6_4_3, e_7_4_3,&
118440  & e_0_0_4, e_1_0_4, e_2_0_4, e_3_0_4, e_4_0_4, e_0_1_4, e_1_1_4, e_2_1_4, e_3_1_4, e_4_1_4, e_5_1_4, e_0_2_4, e_1_2_4,&
118441  & e_2_2_4, e_3_2_4, e_4_2_4, e_5_2_4, e_6_2_4, e_0_3_4, e_1_3_4, e_2_3_4, e_3_3_4, e_4_3_4, e_5_3_4, e_6_3_4, e_7_3_4,&
118442  & e_0_4_4, e_1_4_4, e_2_4_4, e_3_4_4, e_4_4_4, e_5_4_4, e_6_4_4, e_7_4_4, e_8_4_4
118443 
118444  REAL(kind=dp) :: exp2_2rdr, exp_drsq, exp_2drsq !exp_E_dRsq, exp_E_2dRsq, exp_E_2RdR, exp_E_Rsq
118445 
118446  dr = lgth
118447  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
118448 
118449  s_r(:, :, :) = 0.0_dp
118450 
118451  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
118452 
118453  h_to_c_0_0 = sqrt(alpha/pi)
118454 
118455  h_to_c_0_1 = 0.0_dp
118456  h_to_c_1_1 = +2*alpha*h_to_c_0_0
118457  h_to_c_0_2 = -1*h_to_c_1_1
118458  h_to_c_1_2 = +2*alpha*h_to_c_0_1
118459  h_to_c_2_2 = +2*alpha*h_to_c_1_1
118460  h_to_c_0_3 = -1*h_to_c_1_2
118461  h_to_c_1_3 = -2*h_to_c_2_2 +2*alpha*h_to_c_0_2
118462  h_to_c_2_3 = +2*alpha*h_to_c_1_2
118463  h_to_c_3_3 = +2*alpha*h_to_c_2_2
118464  h_to_c_0_4 = -1*h_to_c_1_3
118465  h_to_c_1_4 = -2*h_to_c_2_3 +2*alpha*h_to_c_0_3
118466  h_to_c_2_4 = -3*h_to_c_3_3 +2*alpha*h_to_c_1_3
118467  h_to_c_3_4 = +2*alpha*h_to_c_2_3
118468  h_to_c_4_4 = +2*alpha*h_to_c_3_3
118469  h_to_c_0_5 = -1*h_to_c_1_4
118470  h_to_c_1_5 = -2*h_to_c_2_4 +2*alpha*h_to_c_0_4
118471  h_to_c_2_5 = -3*h_to_c_3_4 +2*alpha*h_to_c_1_4
118472  h_to_c_3_5 = -4*h_to_c_4_4 +2*alpha*h_to_c_2_4
118473  h_to_c_4_5 = +2*alpha*h_to_c_3_4
118474  h_to_c_5_5 = +2*alpha*h_to_c_4_4
118475  h_to_c_0_6 = -1*h_to_c_1_5
118476  h_to_c_1_6 = -2*h_to_c_2_5 +2*alpha*h_to_c_0_5
118477  h_to_c_2_6 = -3*h_to_c_3_5 +2*alpha*h_to_c_1_5
118478  h_to_c_3_6 = -4*h_to_c_4_5 +2*alpha*h_to_c_2_5
118479  h_to_c_4_6 = -5*h_to_c_5_5 +2*alpha*h_to_c_3_5
118480  h_to_c_5_6 = +2*alpha*h_to_c_4_5
118481  h_to_c_6_6 = +2*alpha*h_to_c_5_5
118482  h_to_c_0_7 = -1*h_to_c_1_6
118483  h_to_c_1_7 = -2*h_to_c_2_6 +2*alpha*h_to_c_0_6
118484  h_to_c_2_7 = -3*h_to_c_3_6 +2*alpha*h_to_c_1_6
118485  h_to_c_3_7 = -4*h_to_c_4_6 +2*alpha*h_to_c_2_6
118486  h_to_c_4_7 = -5*h_to_c_5_6 +2*alpha*h_to_c_3_6
118487  h_to_c_5_7 = -6*h_to_c_6_6 +2*alpha*h_to_c_4_6
118488  h_to_c_6_7 = +2*alpha*h_to_c_5_6
118489  h_to_c_7_7 = +2*alpha*h_to_c_6_6
118490  h_to_c_0_8 = -1*h_to_c_1_7
118491  h_to_c_1_8 = -2*h_to_c_2_7 +2*alpha*h_to_c_0_7
118492  h_to_c_2_8 = -3*h_to_c_3_7 +2*alpha*h_to_c_1_7
118493  h_to_c_3_8 = -4*h_to_c_4_7 +2*alpha*h_to_c_2_7
118494  h_to_c_4_8 = -5*h_to_c_5_7 +2*alpha*h_to_c_3_7
118495  h_to_c_5_8 = -6*h_to_c_6_7 +2*alpha*h_to_c_4_7
118496  h_to_c_6_8 = -7*h_to_c_7_7 +2*alpha*h_to_c_5_7
118497  h_to_c_7_8 = +2*alpha*h_to_c_6_7
118498  h_to_c_8_8 = +2*alpha*h_to_c_7_7
118499  h_to_c_0_9 = -1*h_to_c_1_8
118500  h_to_c_1_9 = -2*h_to_c_2_8 +2*alpha*h_to_c_0_8
118501  h_to_c_2_9 = -3*h_to_c_3_8 +2*alpha*h_to_c_1_8
118502  h_to_c_3_9 = -4*h_to_c_4_8 +2*alpha*h_to_c_2_8
118503  h_to_c_4_9 = -5*h_to_c_5_8 +2*alpha*h_to_c_3_8
118504  h_to_c_5_9 = -6*h_to_c_6_8 +2*alpha*h_to_c_4_8
118505  h_to_c_6_9 = -7*h_to_c_7_8 +2*alpha*h_to_c_5_8
118506  h_to_c_7_9 = -8*h_to_c_8_8 +2*alpha*h_to_c_6_8
118507  h_to_c_8_9 = +2*alpha*h_to_c_7_8
118508  h_to_c_9_9 = +2*alpha*h_to_c_8_8
118509  h_to_c_0_10 = -1*h_to_c_1_9
118510  h_to_c_1_10 = -2*h_to_c_2_9 +2*alpha*h_to_c_0_9
118511  h_to_c_2_10 = -3*h_to_c_3_9 +2*alpha*h_to_c_1_9
118512  h_to_c_3_10 = -4*h_to_c_4_9 +2*alpha*h_to_c_2_9
118513  h_to_c_4_10 = -5*h_to_c_5_9 +2*alpha*h_to_c_3_9
118514  h_to_c_5_10 = -6*h_to_c_6_9 +2*alpha*h_to_c_4_9
118515  h_to_c_6_10 = -7*h_to_c_7_9 +2*alpha*h_to_c_5_9
118516  h_to_c_7_10 = -8*h_to_c_8_9 +2*alpha*h_to_c_6_9
118517  h_to_c_8_10 = -9*h_to_c_9_9 +2*alpha*h_to_c_7_9
118518  h_to_c_9_10 = +2*alpha*h_to_c_8_9
118519  h_to_c_10_10 = +2*alpha*h_to_c_9_9
118520  h_to_c_0_11 = -1*h_to_c_1_10
118521  h_to_c_1_11 = -2*h_to_c_2_10 +2*alpha*h_to_c_0_10
118522  h_to_c_2_11 = -3*h_to_c_3_10 +2*alpha*h_to_c_1_10
118523  h_to_c_3_11 = -4*h_to_c_4_10 +2*alpha*h_to_c_2_10
118524  h_to_c_4_11 = -5*h_to_c_5_10 +2*alpha*h_to_c_3_10
118525  h_to_c_5_11 = -6*h_to_c_6_10 +2*alpha*h_to_c_4_10
118526  h_to_c_6_11 = -7*h_to_c_7_10 +2*alpha*h_to_c_5_10
118527  h_to_c_7_11 = -8*h_to_c_8_10 +2*alpha*h_to_c_6_10
118528  h_to_c_8_11 = -9*h_to_c_9_10 +2*alpha*h_to_c_7_10
118529  h_to_c_9_11 = -10*h_to_c_10_10 +2*alpha*h_to_c_8_10
118530  h_to_c_10_11 = +2*alpha*h_to_c_9_10
118531  h_to_c_11_11 = +2*alpha*h_to_c_10_10
118532  h_to_c_0_12 = -1*h_to_c_1_11
118533  h_to_c_1_12 = -2*h_to_c_2_11 +2*alpha*h_to_c_0_11
118534  h_to_c_2_12 = -3*h_to_c_3_11 +2*alpha*h_to_c_1_11
118535  h_to_c_3_12 = -4*h_to_c_4_11 +2*alpha*h_to_c_2_11
118536  h_to_c_4_12 = -5*h_to_c_5_11 +2*alpha*h_to_c_3_11
118537  h_to_c_5_12 = -6*h_to_c_6_11 +2*alpha*h_to_c_4_11
118538  h_to_c_6_12 = -7*h_to_c_7_11 +2*alpha*h_to_c_5_11
118539  h_to_c_7_12 = -8*h_to_c_8_11 +2*alpha*h_to_c_6_11
118540  h_to_c_8_12 = -9*h_to_c_9_11 +2*alpha*h_to_c_7_11
118541  h_to_c_9_12 = -10*h_to_c_10_11 +2*alpha*h_to_c_8_11
118542  h_to_c_10_12 = -11*h_to_c_11_11 +2*alpha*h_to_c_9_11
118543  h_to_c_11_12 = +2*alpha*h_to_c_10_11
118544  h_to_c_12_12 = +2*alpha*h_to_c_11_11
118545 
118546  exp_drsq = exp(-alpha*dr*dr)
118547  exp_2drsq = exp_drsq*exp_drsq
118548 
118549  rr1_delta = (ra - rb)/dr
118550 
118551  rr1_l = ceiling(-r_c(1) + rr1_delta)
118552  rr1_r = floor(r_c(1) + rr1_delta)
118553 
118554  r1 = rr1_l*dr
118555 
118556  alpha_e = zeta*zetb/(zeta + zetb)
118557 
118558  DO rr1 = rr1_l, rr1_r
118559  s_r_t_0 = 0.0_dp
118560  s_r_t2_0 = 0.0_dp
118561  s_r_t_1 = 0.0_dp
118562  s_r_t2_1 = 0.0_dp
118563  s_r_t_2 = 0.0_dp
118564  s_r_t2_2 = 0.0_dp
118565  s_r_t_3 = 0.0_dp
118566  s_r_t2_3 = 0.0_dp
118567  s_r_t_4 = 0.0_dp
118568  s_r_t2_4 = 0.0_dp
118569  s_r_t_5 = 0.0_dp
118570  s_r_t2_5 = 0.0_dp
118571  s_r_t_6 = 0.0_dp
118572  s_r_t2_6 = 0.0_dp
118573  s_r_t_7 = 0.0_dp
118574  s_r_t2_7 = 0.0_dp
118575  s_r_t_8 = 0.0_dp
118576  s_r_t2_8 = 0.0_dp
118577  s_r_t_9 = 0.0_dp
118578  s_r_t2_9 = 0.0_dp
118579  s_r_t_10 = 0.0_dp
118580  s_r_t2_10 = 0.0_dp
118581  s_r_t_11 = 0.0_dp
118582  s_r_t2_11 = 0.0_dp
118583  s_r_t_12 = 0.0_dp
118584  s_r_t2_12 = 0.0_dp
118585  r_tmp = r_offset + r1*zeta/(zeta + zetb)
118586  rr2_delta = -r_tmp/dr
118587 
118588  rr2_l = ceiling(-r_c(2) + rr2_delta)
118589  rr2_r = floor(r_c(2) + rr2_delta)
118590 
118591  r = r_tmp + (rr2_l)*dr
118592 
118593  exp2_2rdr = exp(-2*alpha*r*dr)
118594  exp2_rsq = exp(-alpha*r*r)
118595 
118596  DO rr2 = rr2_l, rr2_r
118597  r_pow_t = 1.0_dp
118598  s_r_t_0 = s_r_t_0+r_pow_t*exp2_rsq
118599  r_pow_t = r_pow_t*r
118600  s_r_t_1 = s_r_t_1+r_pow_t*exp2_rsq
118601  r_pow_t = r_pow_t*r
118602  s_r_t_2 = s_r_t_2+r_pow_t*exp2_rsq
118603  r_pow_t = r_pow_t*r
118604  s_r_t_3 = s_r_t_3+r_pow_t*exp2_rsq
118605  r_pow_t = r_pow_t*r
118606  s_r_t_4 = s_r_t_4+r_pow_t*exp2_rsq
118607  r_pow_t = r_pow_t*r
118608  s_r_t_5 = s_r_t_5+r_pow_t*exp2_rsq
118609  r_pow_t = r_pow_t*r
118610  s_r_t_6 = s_r_t_6+r_pow_t*exp2_rsq
118611  r_pow_t = r_pow_t*r
118612  s_r_t_7 = s_r_t_7+r_pow_t*exp2_rsq
118613  r_pow_t = r_pow_t*r
118614  s_r_t_8 = s_r_t_8+r_pow_t*exp2_rsq
118615  r_pow_t = r_pow_t*r
118616  s_r_t_9 = s_r_t_9+r_pow_t*exp2_rsq
118617  r_pow_t = r_pow_t*r
118618  s_r_t_10 = s_r_t_10+r_pow_t*exp2_rsq
118619  r_pow_t = r_pow_t*r
118620  s_r_t_11 = s_r_t_11+r_pow_t*exp2_rsq
118621  r_pow_t = r_pow_t*r
118622  s_r_t_12 = s_r_t_12+r_pow_t*exp2_rsq
118623 
118624  exp2_rsq = exp2_rsq*exp_drsq*exp2_2rdr
118625  exp2_2rdr = exp2_2rdr*exp_2drsq
118626  r = r + dr
118627  END DO
118628 
118629  ! C --> H
118630  s_r_t2_0 = s_r_t2_0+h_to_c_0_0*s_r_t_0
118631  s_r_t2_1 = s_r_t2_1+h_to_c_0_1*s_r_t_0
118632  s_r_t2_1 = s_r_t2_1+h_to_c_1_1*s_r_t_1
118633  s_r_t2_2 = s_r_t2_2+h_to_c_0_2*s_r_t_0
118634  s_r_t2_2 = s_r_t2_2+h_to_c_1_2*s_r_t_1
118635  s_r_t2_2 = s_r_t2_2+h_to_c_2_2*s_r_t_2
118636  s_r_t2_3 = s_r_t2_3+h_to_c_0_3*s_r_t_0
118637  s_r_t2_3 = s_r_t2_3+h_to_c_1_3*s_r_t_1
118638  s_r_t2_3 = s_r_t2_3+h_to_c_2_3*s_r_t_2
118639  s_r_t2_3 = s_r_t2_3+h_to_c_3_3*s_r_t_3
118640  s_r_t2_4 = s_r_t2_4+h_to_c_0_4*s_r_t_0
118641  s_r_t2_4 = s_r_t2_4+h_to_c_1_4*s_r_t_1
118642  s_r_t2_4 = s_r_t2_4+h_to_c_2_4*s_r_t_2
118643  s_r_t2_4 = s_r_t2_4+h_to_c_3_4*s_r_t_3
118644  s_r_t2_4 = s_r_t2_4+h_to_c_4_4*s_r_t_4
118645  s_r_t2_5 = s_r_t2_5+h_to_c_0_5*s_r_t_0
118646  s_r_t2_5 = s_r_t2_5+h_to_c_1_5*s_r_t_1
118647  s_r_t2_5 = s_r_t2_5+h_to_c_2_5*s_r_t_2
118648  s_r_t2_5 = s_r_t2_5+h_to_c_3_5*s_r_t_3
118649  s_r_t2_5 = s_r_t2_5+h_to_c_4_5*s_r_t_4
118650  s_r_t2_5 = s_r_t2_5+h_to_c_5_5*s_r_t_5
118651  s_r_t2_6 = s_r_t2_6+h_to_c_0_6*s_r_t_0
118652  s_r_t2_6 = s_r_t2_6+h_to_c_1_6*s_r_t_1
118653  s_r_t2_6 = s_r_t2_6+h_to_c_2_6*s_r_t_2
118654  s_r_t2_6 = s_r_t2_6+h_to_c_3_6*s_r_t_3
118655  s_r_t2_6 = s_r_t2_6+h_to_c_4_6*s_r_t_4
118656  s_r_t2_6 = s_r_t2_6+h_to_c_5_6*s_r_t_5
118657  s_r_t2_6 = s_r_t2_6+h_to_c_6_6*s_r_t_6
118658  s_r_t2_7 = s_r_t2_7+h_to_c_0_7*s_r_t_0
118659  s_r_t2_7 = s_r_t2_7+h_to_c_1_7*s_r_t_1
118660  s_r_t2_7 = s_r_t2_7+h_to_c_2_7*s_r_t_2
118661  s_r_t2_7 = s_r_t2_7+h_to_c_3_7*s_r_t_3
118662  s_r_t2_7 = s_r_t2_7+h_to_c_4_7*s_r_t_4
118663  s_r_t2_7 = s_r_t2_7+h_to_c_5_7*s_r_t_5
118664  s_r_t2_7 = s_r_t2_7+h_to_c_6_7*s_r_t_6
118665  s_r_t2_7 = s_r_t2_7+h_to_c_7_7*s_r_t_7
118666  s_r_t2_8 = s_r_t2_8+h_to_c_0_8*s_r_t_0
118667  s_r_t2_8 = s_r_t2_8+h_to_c_1_8*s_r_t_1
118668  s_r_t2_8 = s_r_t2_8+h_to_c_2_8*s_r_t_2
118669  s_r_t2_8 = s_r_t2_8+h_to_c_3_8*s_r_t_3
118670  s_r_t2_8 = s_r_t2_8+h_to_c_4_8*s_r_t_4
118671  s_r_t2_8 = s_r_t2_8+h_to_c_5_8*s_r_t_5
118672  s_r_t2_8 = s_r_t2_8+h_to_c_6_8*s_r_t_6
118673  s_r_t2_8 = s_r_t2_8+h_to_c_7_8*s_r_t_7
118674  s_r_t2_8 = s_r_t2_8+h_to_c_8_8*s_r_t_8
118675  s_r_t2_9 = s_r_t2_9+h_to_c_0_9*s_r_t_0
118676  s_r_t2_9 = s_r_t2_9+h_to_c_1_9*s_r_t_1
118677  s_r_t2_9 = s_r_t2_9+h_to_c_2_9*s_r_t_2
118678  s_r_t2_9 = s_r_t2_9+h_to_c_3_9*s_r_t_3
118679  s_r_t2_9 = s_r_t2_9+h_to_c_4_9*s_r_t_4
118680  s_r_t2_9 = s_r_t2_9+h_to_c_5_9*s_r_t_5
118681  s_r_t2_9 = s_r_t2_9+h_to_c_6_9*s_r_t_6
118682  s_r_t2_9 = s_r_t2_9+h_to_c_7_9*s_r_t_7
118683  s_r_t2_9 = s_r_t2_9+h_to_c_8_9*s_r_t_8
118684  s_r_t2_9 = s_r_t2_9+h_to_c_9_9*s_r_t_9
118685  s_r_t2_10 = s_r_t2_10+h_to_c_0_10*s_r_t_0
118686  s_r_t2_10 = s_r_t2_10+h_to_c_1_10*s_r_t_1
118687  s_r_t2_10 = s_r_t2_10+h_to_c_2_10*s_r_t_2
118688  s_r_t2_10 = s_r_t2_10+h_to_c_3_10*s_r_t_3
118689  s_r_t2_10 = s_r_t2_10+h_to_c_4_10*s_r_t_4
118690  s_r_t2_10 = s_r_t2_10+h_to_c_5_10*s_r_t_5
118691  s_r_t2_10 = s_r_t2_10+h_to_c_6_10*s_r_t_6
118692  s_r_t2_10 = s_r_t2_10+h_to_c_7_10*s_r_t_7
118693  s_r_t2_10 = s_r_t2_10+h_to_c_8_10*s_r_t_8
118694  s_r_t2_10 = s_r_t2_10+h_to_c_9_10*s_r_t_9
118695  s_r_t2_10 = s_r_t2_10+h_to_c_10_10*s_r_t_10
118696  s_r_t2_11 = s_r_t2_11+h_to_c_0_11*s_r_t_0
118697  s_r_t2_11 = s_r_t2_11+h_to_c_1_11*s_r_t_1
118698  s_r_t2_11 = s_r_t2_11+h_to_c_2_11*s_r_t_2
118699  s_r_t2_11 = s_r_t2_11+h_to_c_3_11*s_r_t_3
118700  s_r_t2_11 = s_r_t2_11+h_to_c_4_11*s_r_t_4
118701  s_r_t2_11 = s_r_t2_11+h_to_c_5_11*s_r_t_5
118702  s_r_t2_11 = s_r_t2_11+h_to_c_6_11*s_r_t_6
118703  s_r_t2_11 = s_r_t2_11+h_to_c_7_11*s_r_t_7
118704  s_r_t2_11 = s_r_t2_11+h_to_c_8_11*s_r_t_8
118705  s_r_t2_11 = s_r_t2_11+h_to_c_9_11*s_r_t_9
118706  s_r_t2_11 = s_r_t2_11+h_to_c_10_11*s_r_t_10
118707  s_r_t2_11 = s_r_t2_11+h_to_c_11_11*s_r_t_11
118708  s_r_t2_12 = s_r_t2_12+h_to_c_0_12*s_r_t_0
118709  s_r_t2_12 = s_r_t2_12+h_to_c_1_12*s_r_t_1
118710  s_r_t2_12 = s_r_t2_12+h_to_c_2_12*s_r_t_2
118711  s_r_t2_12 = s_r_t2_12+h_to_c_3_12*s_r_t_3
118712  s_r_t2_12 = s_r_t2_12+h_to_c_4_12*s_r_t_4
118713  s_r_t2_12 = s_r_t2_12+h_to_c_5_12*s_r_t_5
118714  s_r_t2_12 = s_r_t2_12+h_to_c_6_12*s_r_t_6
118715  s_r_t2_12 = s_r_t2_12+h_to_c_7_12*s_r_t_7
118716  s_r_t2_12 = s_r_t2_12+h_to_c_8_12*s_r_t_8
118717  s_r_t2_12 = s_r_t2_12+h_to_c_9_12*s_r_t_9
118718  s_r_t2_12 = s_r_t2_12+h_to_c_10_12*s_r_t_10
118719  s_r_t2_12 = s_r_t2_12+h_to_c_11_12*s_r_t_11
118720  s_r_t2_12 = s_r_t2_12+h_to_c_12_12*s_r_t_12
118721 
118722  ! H --> HH
118723  e_0_0_0 = exp(-alpha_e*(ra - rb - r1)*(ra - rb - r1))
118724 
118725  c1 = 1.0_dp/(zeta + zetb)
118726  c2 = 2.0_dp*(zetb/(zeta + zetb))*(rb - (ra - r1))
118727  c3 = 2.0_dp*(zeta/(zeta + zetb))*(ra - r1 - rb)
118728 
118729  e_0_1_0 = zeta*( &
118730  +c2*e_0_0_0&
118731 
118732  )
118733  e_0_0_1 = zetb*( &
118734  +c3*e_0_0_0&
118735 
118736  )
118737  e_1_1_0 = zeta*( c1*e_0_0_0 &
118738 
118739 
118740  )
118741  e_1_0_1 = zetb*( c1*e_0_0_0 &
118742 
118743 
118744  )
118745  e_0_2_0 = zeta*( &
118746  +c2*e_0_1_0&
118747  +2*e_1_1_0 &
118748  -2*e_0_0_0)
118749  e_0_1_1 = zetb*( &
118750  +c3*e_0_1_0&
118751  +2*e_1_1_0 &
118752  )
118753  e_1_2_0 = zeta*( c1*e_0_1_0 &
118754  +c2*e_1_1_0&
118755 
118756  )
118757  e_1_1_1 = zetb*( c1*e_0_1_0 &
118758  +c3*e_1_1_0&
118759 
118760  )
118761  e_2_2_0 = zeta*( c1*e_1_1_0 &
118762 
118763 
118764  )
118765  e_2_1_1 = zetb*( c1*e_1_1_0 &
118766 
118767 
118768  )
118769  e_0_3_0 = zeta*( &
118770  +c2*e_0_2_0&
118771  +2*e_1_2_0 &
118772  -4*e_0_1_0)
118773  e_0_2_1 = zetb*( &
118774  +c3*e_0_2_0&
118775  +2*e_1_2_0 &
118776  )
118777  e_1_3_0 = zeta*( c1*e_0_2_0 &
118778  +c2*e_1_2_0&
118779  +4*e_2_2_0 &
118780  -4*e_1_1_0)
118781  e_1_2_1 = zetb*( c1*e_0_2_0 &
118782  +c3*e_1_2_0&
118783  +4*e_2_2_0 &
118784  )
118785  e_2_3_0 = zeta*( c1*e_1_2_0 &
118786  +c2*e_2_2_0&
118787 
118788  )
118789  e_2_2_1 = zetb*( c1*e_1_2_0 &
118790  +c3*e_2_2_0&
118791 
118792  )
118793  e_3_3_0 = zeta*( c1*e_2_2_0 &
118794 
118795 
118796  )
118797  e_3_2_1 = zetb*( c1*e_2_2_0 &
118798 
118799 
118800  )
118801  e_0_4_0 = zeta*( &
118802  +c2*e_0_3_0&
118803  +2*e_1_3_0 &
118804  -6*e_0_2_0)
118805  e_0_3_1 = zetb*( &
118806  +c3*e_0_3_0&
118807  +2*e_1_3_0 &
118808  )
118809  e_1_4_0 = zeta*( c1*e_0_3_0 &
118810  +c2*e_1_3_0&
118811  +4*e_2_3_0 &
118812  -6*e_1_2_0)
118813  e_1_3_1 = zetb*( c1*e_0_3_0 &
118814  +c3*e_1_3_0&
118815  +4*e_2_3_0 &
118816  )
118817  e_2_4_0 = zeta*( c1*e_1_3_0 &
118818  +c2*e_2_3_0&
118819  +6*e_3_3_0 &
118820  -6*e_2_2_0)
118821  e_2_3_1 = zetb*( c1*e_1_3_0 &
118822  +c3*e_2_3_0&
118823  +6*e_3_3_0 &
118824  )
118825  e_3_4_0 = zeta*( c1*e_2_3_0 &
118826  +c2*e_3_3_0&
118827 
118828  )
118829  e_3_3_1 = zetb*( c1*e_2_3_0 &
118830  +c3*e_3_3_0&
118831 
118832  )
118833  e_4_4_0 = zeta*( c1*e_3_3_0 &
118834 
118835 
118836  )
118837  e_4_3_1 = zetb*( c1*e_3_3_0 &
118838 
118839 
118840  )
118841  e_0_4_1 = zetb*( &
118842  +c3*e_0_4_0&
118843  +2*e_1_4_0 &
118844  )
118845  e_1_4_1 = zetb*( c1*e_0_4_0 &
118846  +c3*e_1_4_0&
118847  +4*e_2_4_0 &
118848  )
118849  e_2_4_1 = zetb*( c1*e_1_4_0 &
118850  +c3*e_2_4_0&
118851  +6*e_3_4_0 &
118852  )
118853  e_3_4_1 = zetb*( c1*e_2_4_0 &
118854  +c3*e_3_4_0&
118855  +8*e_4_4_0 &
118856  )
118857  e_4_4_1 = zetb*( c1*e_3_4_0 &
118858  +c3*e_4_4_0&
118859 
118860  )
118861  e_5_4_1 = zetb*( c1*e_4_4_0 &
118862 
118863 
118864  )
118865  e_0_1_1 = zeta*( &
118866  +c2*e_0_0_1&
118867  +2*e_1_0_1 &
118868  )
118869  e_0_0_2 = zetb*( &
118870  +c3*e_0_0_1&
118871  +2*e_1_0_1 &
118872  -2*e_0_0_0)
118873  e_1_1_1 = zeta*( c1*e_0_0_1 &
118874  +c2*e_1_0_1&
118875 
118876  )
118877  e_1_0_2 = zetb*( c1*e_0_0_1 &
118878  +c3*e_1_0_1&
118879 
118880  )
118881  e_2_1_1 = zeta*( c1*e_1_0_1 &
118882 
118883 
118884  )
118885  e_2_0_2 = zetb*( c1*e_1_0_1 &
118886 
118887 
118888  )
118889  e_0_2_1 = zeta*( &
118890  +c2*e_0_1_1&
118891  +2*e_1_1_1 &
118892  -2*e_0_0_1)
118893  e_0_1_2 = zetb*( &
118894  +c3*e_0_1_1&
118895  +2*e_1_1_1 &
118896  -2*e_0_1_0)
118897  e_1_2_1 = zeta*( c1*e_0_1_1 &
118898  +c2*e_1_1_1&
118899  +4*e_2_1_1 &
118900  -2*e_1_0_1)
118901  e_1_1_2 = zetb*( c1*e_0_1_1 &
118902  +c3*e_1_1_1&
118903  +4*e_2_1_1 &
118904  -2*e_1_1_0)
118905  e_2_2_1 = zeta*( c1*e_1_1_1 &
118906  +c2*e_2_1_1&
118907 
118908  )
118909  e_2_1_2 = zetb*( c1*e_1_1_1 &
118910  +c3*e_2_1_1&
118911 
118912  )
118913  e_3_2_1 = zeta*( c1*e_2_1_1 &
118914 
118915 
118916  )
118917  e_3_1_2 = zetb*( c1*e_2_1_1 &
118918 
118919 
118920  )
118921  e_0_3_1 = zeta*( &
118922  +c2*e_0_2_1&
118923  +2*e_1_2_1 &
118924  -4*e_0_1_1)
118925  e_0_2_2 = zetb*( &
118926  +c3*e_0_2_1&
118927  +2*e_1_2_1 &
118928  -2*e_0_2_0)
118929  e_1_3_1 = zeta*( c1*e_0_2_1 &
118930  +c2*e_1_2_1&
118931  +4*e_2_2_1 &
118932  -4*e_1_1_1)
118933  e_1_2_2 = zetb*( c1*e_0_2_1 &
118934  +c3*e_1_2_1&
118935  +4*e_2_2_1 &
118936  -2*e_1_2_0)
118937  e_2_3_1 = zeta*( c1*e_1_2_1 &
118938  +c2*e_2_2_1&
118939  +6*e_3_2_1 &
118940  -4*e_2_1_1)
118941  e_2_2_2 = zetb*( c1*e_1_2_1 &
118942  +c3*e_2_2_1&
118943  +6*e_3_2_1 &
118944  -2*e_2_2_0)
118945  e_3_3_1 = zeta*( c1*e_2_2_1 &
118946  +c2*e_3_2_1&
118947 
118948  )
118949  e_3_2_2 = zetb*( c1*e_2_2_1 &
118950  +c3*e_3_2_1&
118951 
118952  )
118953  e_4_3_1 = zeta*( c1*e_3_2_1 &
118954 
118955 
118956  )
118957  e_4_2_2 = zetb*( c1*e_3_2_1 &
118958 
118959 
118960  )
118961  e_0_4_1 = zeta*( &
118962  +c2*e_0_3_1&
118963  +2*e_1_3_1 &
118964  -6*e_0_2_1)
118965  e_0_3_2 = zetb*( &
118966  +c3*e_0_3_1&
118967  +2*e_1_3_1 &
118968  -2*e_0_3_0)
118969  e_1_4_1 = zeta*( c1*e_0_3_1 &
118970  +c2*e_1_3_1&
118971  +4*e_2_3_1 &
118972  -6*e_1_2_1)
118973  e_1_3_2 = zetb*( c1*e_0_3_1 &
118974  +c3*e_1_3_1&
118975  +4*e_2_3_1 &
118976  -2*e_1_3_0)
118977  e_2_4_1 = zeta*( c1*e_1_3_1 &
118978  +c2*e_2_3_1&
118979  +6*e_3_3_1 &
118980  -6*e_2_2_1)
118981  e_2_3_2 = zetb*( c1*e_1_3_1 &
118982  +c3*e_2_3_1&
118983  +6*e_3_3_1 &
118984  -2*e_2_3_0)
118985  e_3_4_1 = zeta*( c1*e_2_3_1 &
118986  +c2*e_3_3_1&
118987  +8*e_4_3_1 &
118988  -6*e_3_2_1)
118989  e_3_3_2 = zetb*( c1*e_2_3_1 &
118990  +c3*e_3_3_1&
118991  +8*e_4_3_1 &
118992  -2*e_3_3_0)
118993  e_4_4_1 = zeta*( c1*e_3_3_1 &
118994  +c2*e_4_3_1&
118995 
118996  )
118997  e_4_3_2 = zetb*( c1*e_3_3_1 &
118998  +c3*e_4_3_1&
118999 
119000  )
119001  e_5_4_1 = zeta*( c1*e_4_3_1 &
119002 
119003 
119004  )
119005  e_5_3_2 = zetb*( c1*e_4_3_1 &
119006 
119007 
119008  )
119009  e_0_4_2 = zetb*( &
119010  +c3*e_0_4_1&
119011  +2*e_1_4_1 &
119012  -2*e_0_4_0)
119013  e_1_4_2 = zetb*( c1*e_0_4_1 &
119014  +c3*e_1_4_1&
119015  +4*e_2_4_1 &
119016  -2*e_1_4_0)
119017  e_2_4_2 = zetb*( c1*e_1_4_1 &
119018  +c3*e_2_4_1&
119019  +6*e_3_4_1 &
119020  -2*e_2_4_0)
119021  e_3_4_2 = zetb*( c1*e_2_4_1 &
119022  +c3*e_3_4_1&
119023  +8*e_4_4_1 &
119024  -2*e_3_4_0)
119025  e_4_4_2 = zetb*( c1*e_3_4_1 &
119026  +c3*e_4_4_1&
119027  +10*e_5_4_1 &
119028  -2*e_4_4_0)
119029  e_5_4_2 = zetb*( c1*e_4_4_1 &
119030  +c3*e_5_4_1&
119031 
119032  )
119033  e_6_4_2 = zetb*( c1*e_5_4_1 &
119034 
119035 
119036  )
119037  e_0_1_2 = zeta*( &
119038  +c2*e_0_0_2&
119039  +2*e_1_0_2 &
119040  )
119041  e_0_0_3 = zetb*( &
119042  +c3*e_0_0_2&
119043  +2*e_1_0_2 &
119044  -4*e_0_0_1)
119045  e_1_1_2 = zeta*( c1*e_0_0_2 &
119046  +c2*e_1_0_2&
119047  +4*e_2_0_2 &
119048  )
119049  e_1_0_3 = zetb*( c1*e_0_0_2 &
119050  +c3*e_1_0_2&
119051  +4*e_2_0_2 &
119052  -4*e_1_0_1)
119053  e_2_1_2 = zeta*( c1*e_1_0_2 &
119054  +c2*e_2_0_2&
119055 
119056  )
119057  e_2_0_3 = zetb*( c1*e_1_0_2 &
119058  +c3*e_2_0_2&
119059 
119060  )
119061  e_3_1_2 = zeta*( c1*e_2_0_2 &
119062 
119063 
119064  )
119065  e_3_0_3 = zetb*( c1*e_2_0_2 &
119066 
119067 
119068  )
119069  e_0_2_2 = zeta*( &
119070  +c2*e_0_1_2&
119071  +2*e_1_1_2 &
119072  -2*e_0_0_2)
119073  e_0_1_3 = zetb*( &
119074  +c3*e_0_1_2&
119075  +2*e_1_1_2 &
119076  -4*e_0_1_1)
119077  e_1_2_2 = zeta*( c1*e_0_1_2 &
119078  +c2*e_1_1_2&
119079  +4*e_2_1_2 &
119080  -2*e_1_0_2)
119081  e_1_1_3 = zetb*( c1*e_0_1_2 &
119082  +c3*e_1_1_2&
119083  +4*e_2_1_2 &
119084  -4*e_1_1_1)
119085  e_2_2_2 = zeta*( c1*e_1_1_2 &
119086  +c2*e_2_1_2&
119087  +6*e_3_1_2 &
119088  -2*e_2_0_2)
119089  e_2_1_3 = zetb*( c1*e_1_1_2 &
119090  +c3*e_2_1_2&
119091  +6*e_3_1_2 &
119092  -4*e_2_1_1)
119093  e_3_2_2 = zeta*( c1*e_2_1_2 &
119094  +c2*e_3_1_2&
119095 
119096  )
119097  e_3_1_3 = zetb*( c1*e_2_1_2 &
119098  +c3*e_3_1_2&
119099 
119100  )
119101  e_4_2_2 = zeta*( c1*e_3_1_2 &
119102 
119103 
119104  )
119105  e_4_1_3 = zetb*( c1*e_3_1_2 &
119106 
119107 
119108  )
119109  e_0_3_2 = zeta*( &
119110  +c2*e_0_2_2&
119111  +2*e_1_2_2 &
119112  -4*e_0_1_2)
119113  e_0_2_3 = zetb*( &
119114  +c3*e_0_2_2&
119115  +2*e_1_2_2 &
119116  -4*e_0_2_1)
119117  e_1_3_2 = zeta*( c1*e_0_2_2 &
119118  +c2*e_1_2_2&
119119  +4*e_2_2_2 &
119120  -4*e_1_1_2)
119121  e_1_2_3 = zetb*( c1*e_0_2_2 &
119122  +c3*e_1_2_2&
119123  +4*e_2_2_2 &
119124  -4*e_1_2_1)
119125  e_2_3_2 = zeta*( c1*e_1_2_2 &
119126  +c2*e_2_2_2&
119127  +6*e_3_2_2 &
119128  -4*e_2_1_2)
119129  e_2_2_3 = zetb*( c1*e_1_2_2 &
119130  +c3*e_2_2_2&
119131  +6*e_3_2_2 &
119132  -4*e_2_2_1)
119133  e_3_3_2 = zeta*( c1*e_2_2_2 &
119134  +c2*e_3_2_2&
119135  +8*e_4_2_2 &
119136  -4*e_3_1_2)
119137  e_3_2_3 = zetb*( c1*e_2_2_2 &
119138  +c3*e_3_2_2&
119139  +8*e_4_2_2 &
119140  -4*e_3_2_1)
119141  e_4_3_2 = zeta*( c1*e_3_2_2 &
119142  +c2*e_4_2_2&
119143 
119144  )
119145  e_4_2_3 = zetb*( c1*e_3_2_2 &
119146  +c3*e_4_2_2&
119147 
119148  )
119149  e_5_3_2 = zeta*( c1*e_4_2_2 &
119150 
119151 
119152  )
119153  e_5_2_3 = zetb*( c1*e_4_2_2 &
119154 
119155 
119156  )
119157  e_0_4_2 = zeta*( &
119158  +c2*e_0_3_2&
119159  +2*e_1_3_2 &
119160  -6*e_0_2_2)
119161  e_0_3_3 = zetb*( &
119162  +c3*e_0_3_2&
119163  +2*e_1_3_2 &
119164  -4*e_0_3_1)
119165  e_1_4_2 = zeta*( c1*e_0_3_2 &
119166  +c2*e_1_3_2&
119167  +4*e_2_3_2 &
119168  -6*e_1_2_2)
119169  e_1_3_3 = zetb*( c1*e_0_3_2 &
119170  +c3*e_1_3_2&
119171  +4*e_2_3_2 &
119172  -4*e_1_3_1)
119173  e_2_4_2 = zeta*( c1*e_1_3_2 &
119174  +c2*e_2_3_2&
119175  +6*e_3_3_2 &
119176  -6*e_2_2_2)
119177  e_2_3_3 = zetb*( c1*e_1_3_2 &
119178  +c3*e_2_3_2&
119179  +6*e_3_3_2 &
119180  -4*e_2_3_1)
119181  e_3_4_2 = zeta*( c1*e_2_3_2 &
119182  +c2*e_3_3_2&
119183  +8*e_4_3_2 &
119184  -6*e_3_2_2)
119185  e_3_3_3 = zetb*( c1*e_2_3_2 &
119186  +c3*e_3_3_2&
119187  +8*e_4_3_2 &
119188  -4*e_3_3_1)
119189  e_4_4_2 = zeta*( c1*e_3_3_2 &
119190  +c2*e_4_3_2&
119191  +10*e_5_3_2 &
119192  -6*e_4_2_2)
119193  e_4_3_3 = zetb*( c1*e_3_3_2 &
119194  +c3*e_4_3_2&
119195  +10*e_5_3_2 &
119196  -4*e_4_3_1)
119197  e_5_4_2 = zeta*( c1*e_4_3_2 &
119198  +c2*e_5_3_2&
119199 
119200  )
119201  e_5_3_3 = zetb*( c1*e_4_3_2 &
119202  +c3*e_5_3_2&
119203 
119204  )
119205  e_6_4_2 = zeta*( c1*e_5_3_2 &
119206 
119207 
119208  )
119209  e_6_3_3 = zetb*( c1*e_5_3_2 &
119210 
119211 
119212  )
119213  e_0_4_3 = zetb*( &
119214  +c3*e_0_4_2&
119215  +2*e_1_4_2 &
119216  -4*e_0_4_1)
119217  e_1_4_3 = zetb*( c1*e_0_4_2 &
119218  +c3*e_1_4_2&
119219  +4*e_2_4_2 &
119220  -4*e_1_4_1)
119221  e_2_4_3 = zetb*( c1*e_1_4_2 &
119222  +c3*e_2_4_2&
119223  +6*e_3_4_2 &
119224  -4*e_2_4_1)
119225  e_3_4_3 = zetb*( c1*e_2_4_2 &
119226  +c3*e_3_4_2&
119227  +8*e_4_4_2 &
119228  -4*e_3_4_1)
119229  e_4_4_3 = zetb*( c1*e_3_4_2 &
119230  +c3*e_4_4_2&
119231  +10*e_5_4_2 &
119232  -4*e_4_4_1)
119233  e_5_4_3 = zetb*( c1*e_4_4_2 &
119234  +c3*e_5_4_2&
119235  +12*e_6_4_2 &
119236  -4*e_5_4_1)
119237  e_6_4_3 = zetb*( c1*e_5_4_2 &
119238  +c3*e_6_4_2&
119239 
119240  )
119241  e_7_4_3 = zetb*( c1*e_6_4_2 &
119242 
119243 
119244  )
119245  e_0_1_3 = zeta*( &
119246  +c2*e_0_0_3&
119247  +2*e_1_0_3 &
119248  )
119249  e_0_0_4 = zetb*( &
119250  +c3*e_0_0_3&
119251  +2*e_1_0_3 &
119252  -6*e_0_0_2)
119253  e_1_1_3 = zeta*( c1*e_0_0_3 &
119254  +c2*e_1_0_3&
119255  +4*e_2_0_3 &
119256  )
119257  e_1_0_4 = zetb*( c1*e_0_0_3 &
119258  +c3*e_1_0_3&
119259  +4*e_2_0_3 &
119260  -6*e_1_0_2)
119261  e_2_1_3 = zeta*( c1*e_1_0_3 &
119262  +c2*e_2_0_3&
119263  +6*e_3_0_3 &
119264  )
119265  e_2_0_4 = zetb*( c1*e_1_0_3 &
119266  +c3*e_2_0_3&
119267  +6*e_3_0_3 &
119268  -6*e_2_0_2)
119269  e_3_1_3 = zeta*( c1*e_2_0_3 &
119270  +c2*e_3_0_3&
119271 
119272  )
119273  e_3_0_4 = zetb*( c1*e_2_0_3 &
119274  +c3*e_3_0_3&
119275 
119276  )
119277  e_4_1_3 = zeta*( c1*e_3_0_3 &
119278 
119279 
119280  )
119281  e_4_0_4 = zetb*( c1*e_3_0_3 &
119282 
119283 
119284  )
119285  e_0_2_3 = zeta*( &
119286  +c2*e_0_1_3&
119287  +2*e_1_1_3 &
119288  -2*e_0_0_3)
119289  e_0_1_4 = zetb*( &
119290  +c3*e_0_1_3&
119291  +2*e_1_1_3 &
119292  -6*e_0_1_2)
119293  e_1_2_3 = zeta*( c1*e_0_1_3 &
119294  +c2*e_1_1_3&
119295  +4*e_2_1_3 &
119296  -2*e_1_0_3)
119297  e_1_1_4 = zetb*( c1*e_0_1_3 &
119298  +c3*e_1_1_3&
119299  +4*e_2_1_3 &
119300  -6*e_1_1_2)
119301  e_2_2_3 = zeta*( c1*e_1_1_3 &
119302  +c2*e_2_1_3&
119303  +6*e_3_1_3 &
119304  -2*e_2_0_3)
119305  e_2_1_4 = zetb*( c1*e_1_1_3 &
119306  +c3*e_2_1_3&
119307  +6*e_3_1_3 &
119308  -6*e_2_1_2)
119309  e_3_2_3 = zeta*( c1*e_2_1_3 &
119310  +c2*e_3_1_3&
119311  +8*e_4_1_3 &
119312  -2*e_3_0_3)
119313  e_3_1_4 = zetb*( c1*e_2_1_3 &
119314  +c3*e_3_1_3&
119315  +8*e_4_1_3 &
119316  -6*e_3_1_2)
119317  e_4_2_3 = zeta*( c1*e_3_1_3 &
119318  +c2*e_4_1_3&
119319 
119320  )
119321  e_4_1_4 = zetb*( c1*e_3_1_3 &
119322  +c3*e_4_1_3&
119323 
119324  )
119325  e_5_2_3 = zeta*( c1*e_4_1_3 &
119326 
119327 
119328  )
119329  e_5_1_4 = zetb*( c1*e_4_1_3 &
119330 
119331 
119332  )
119333  e_0_3_3 = zeta*( &
119334  +c2*e_0_2_3&
119335  +2*e_1_2_3 &
119336  -4*e_0_1_3)
119337  e_0_2_4 = zetb*( &
119338  +c3*e_0_2_3&
119339  +2*e_1_2_3 &
119340  -6*e_0_2_2)
119341  e_1_3_3 = zeta*( c1*e_0_2_3 &
119342  +c2*e_1_2_3&
119343  +4*e_2_2_3 &
119344  -4*e_1_1_3)
119345  e_1_2_4 = zetb*( c1*e_0_2_3 &
119346  +c3*e_1_2_3&
119347  +4*e_2_2_3 &
119348  -6*e_1_2_2)
119349  e_2_3_3 = zeta*( c1*e_1_2_3 &
119350  +c2*e_2_2_3&
119351  +6*e_3_2_3 &
119352  -4*e_2_1_3)
119353  e_2_2_4 = zetb*( c1*e_1_2_3 &
119354  +c3*e_2_2_3&
119355  +6*e_3_2_3 &
119356  -6*e_2_2_2)
119357  e_3_3_3 = zeta*( c1*e_2_2_3 &
119358  +c2*e_3_2_3&
119359  +8*e_4_2_3 &
119360  -4*e_3_1_3)
119361  e_3_2_4 = zetb*( c1*e_2_2_3 &
119362  +c3*e_3_2_3&
119363  +8*e_4_2_3 &
119364  -6*e_3_2_2)
119365  e_4_3_3 = zeta*( c1*e_3_2_3 &
119366  +c2*e_4_2_3&
119367  +10*e_5_2_3 &
119368  -4*e_4_1_3)
119369  e_4_2_4 = zetb*( c1*e_3_2_3 &
119370  +c3*e_4_2_3&
119371  +10*e_5_2_3 &
119372  -6*e_4_2_2)
119373  e_5_3_3 = zeta*( c1*e_4_2_3 &
119374  +c2*e_5_2_3&
119375 
119376  )
119377  e_5_2_4 = zetb*( c1*e_4_2_3 &
119378  +c3*e_5_2_3&
119379 
119380  )
119381  e_6_3_3 = zeta*( c1*e_5_2_3 &
119382 
119383 
119384  )
119385  e_6_2_4 = zetb*( c1*e_5_2_3 &
119386 
119387 
119388  )
119389  e_0_4_3 = zeta*( &
119390  +c2*e_0_3_3&
119391  +2*e_1_3_3 &
119392  -6*e_0_2_3)
119393  e_0_3_4 = zetb*( &
119394  +c3*e_0_3_3&
119395  +2*e_1_3_3 &
119396  -6*e_0_3_2)
119397  e_1_4_3 = zeta*( c1*e_0_3_3 &
119398  +c2*e_1_3_3&
119399  +4*e_2_3_3 &
119400  -6*e_1_2_3)
119401  e_1_3_4 = zetb*( c1*e_0_3_3 &
119402  +c3*e_1_3_3&
119403  +4*e_2_3_3 &
119404  -6*e_1_3_2)
119405  e_2_4_3 = zeta*( c1*e_1_3_3 &
119406  +c2*e_2_3_3&
119407  +6*e_3_3_3 &
119408  -6*e_2_2_3)
119409  e_2_3_4 = zetb*( c1*e_1_3_3 &
119410  +c3*e_2_3_3&
119411  +6*e_3_3_3 &
119412  -6*e_2_3_2)
119413  e_3_4_3 = zeta*( c1*e_2_3_3 &
119414  +c2*e_3_3_3&
119415  +8*e_4_3_3 &
119416  -6*e_3_2_3)
119417  e_3_3_4 = zetb*( c1*e_2_3_3 &
119418  +c3*e_3_3_3&
119419  +8*e_4_3_3 &
119420  -6*e_3_3_2)
119421  e_4_4_3 = zeta*( c1*e_3_3_3 &
119422  +c2*e_4_3_3&
119423  +10*e_5_3_3 &
119424  -6*e_4_2_3)
119425  e_4_3_4 = zetb*( c1*e_3_3_3 &
119426  +c3*e_4_3_3&
119427  +10*e_5_3_3 &
119428  -6*e_4_3_2)
119429  e_5_4_3 = zeta*( c1*e_4_3_3 &
119430  +c2*e_5_3_3&
119431  +12*e_6_3_3 &
119432  -6*e_5_2_3)
119433  e_5_3_4 = zetb*( c1*e_4_3_3 &
119434  +c3*e_5_3_3&
119435  +12*e_6_3_3 &
119436  -6*e_5_3_2)
119437  e_6_4_3 = zeta*( c1*e_5_3_3 &
119438  +c2*e_6_3_3&
119439 
119440  )
119441  e_6_3_4 = zetb*( c1*e_5_3_3 &
119442  +c3*e_6_3_3&
119443 
119444  )
119445  e_7_4_3 = zeta*( c1*e_6_3_3 &
119446 
119447 
119448  )
119449  e_7_3_4 = zetb*( c1*e_6_3_3 &
119450 
119451 
119452  )
119453  e_0_4_4 = zetb*( &
119454  +c3*e_0_4_3&
119455  +2*e_1_4_3 &
119456  -6*e_0_4_2)
119457  e_1_4_4 = zetb*( c1*e_0_4_3 &
119458  +c3*e_1_4_3&
119459  +4*e_2_4_3 &
119460  -6*e_1_4_2)
119461  e_2_4_4 = zetb*( c1*e_1_4_3 &
119462  +c3*e_2_4_3&
119463  +6*e_3_4_3 &
119464  -6*e_2_4_2)
119465  e_3_4_4 = zetb*( c1*e_2_4_3 &
119466  +c3*e_3_4_3&
119467  +8*e_4_4_3 &
119468  -6*e_3_4_2)
119469  e_4_4_4 = zetb*( c1*e_3_4_3 &
119470  +c3*e_4_4_3&
119471  +10*e_5_4_3 &
119472  -6*e_4_4_2)
119473  e_5_4_4 = zetb*( c1*e_4_4_3 &
119474  +c3*e_5_4_3&
119475  +12*e_6_4_3 &
119476  -6*e_5_4_2)
119477  e_6_4_4 = zetb*( c1*e_5_4_3 &
119478  +c3*e_6_4_3&
119479  +14*e_7_4_3 &
119480  -6*e_6_4_2)
119481  e_7_4_4 = zetb*( c1*e_6_4_3 &
119482  +c3*e_7_4_3&
119483 
119484  )
119485  e_8_4_4 = zetb*( c1*e_7_4_3 &
119486 
119487 
119488  )
119489  e_0_1_4 = zeta*( &
119490  +c2*e_0_0_4&
119491  +2*e_1_0_4 &
119492  )
119493  e_1_1_4 = zeta*( c1*e_0_0_4 &
119494  +c2*e_1_0_4&
119495  +4*e_2_0_4 &
119496  )
119497  e_2_1_4 = zeta*( c1*e_1_0_4 &
119498  +c2*e_2_0_4&
119499  +6*e_3_0_4 &
119500  )
119501  e_3_1_4 = zeta*( c1*e_2_0_4 &
119502  +c2*e_3_0_4&
119503  +8*e_4_0_4 &
119504  )
119505  e_4_1_4 = zeta*( c1*e_3_0_4 &
119506  +c2*e_4_0_4&
119507 
119508  )
119509  e_5_1_4 = zeta*( c1*e_4_0_4 &
119510 
119511 
119512  )
119513  e_0_2_4 = zeta*( &
119514  +c2*e_0_1_4&
119515  +2*e_1_1_4 &
119516  -2*e_0_0_4)
119517  e_1_2_4 = zeta*( c1*e_0_1_4 &
119518  +c2*e_1_1_4&
119519  +4*e_2_1_4 &
119520  -2*e_1_0_4)
119521  e_2_2_4 = zeta*( c1*e_1_1_4 &
119522  +c2*e_2_1_4&
119523  +6*e_3_1_4 &
119524  -2*e_2_0_4)
119525  e_3_2_4 = zeta*( c1*e_2_1_4 &
119526  +c2*e_3_1_4&
119527  +8*e_4_1_4 &
119528  -2*e_3_0_4)
119529  e_4_2_4 = zeta*( c1*e_3_1_4 &
119530  +c2*e_4_1_4&
119531  +10*e_5_1_4 &
119532  -2*e_4_0_4)
119533  e_5_2_4 = zeta*( c1*e_4_1_4 &
119534  +c2*e_5_1_4&
119535 
119536  )
119537  e_6_2_4 = zeta*( c1*e_5_1_4 &
119538 
119539 
119540  )
119541  e_0_3_4 = zeta*( &
119542  +c2*e_0_2_4&
119543  +2*e_1_2_4 &
119544  -4*e_0_1_4)
119545  e_1_3_4 = zeta*( c1*e_0_2_4 &
119546  +c2*e_1_2_4&
119547  +4*e_2_2_4 &
119548  -4*e_1_1_4)
119549  e_2_3_4 = zeta*( c1*e_1_2_4 &
119550  +c2*e_2_2_4&
119551  +6*e_3_2_4 &
119552  -4*e_2_1_4)
119553  e_3_3_4 = zeta*( c1*e_2_2_4 &
119554  +c2*e_3_2_4&
119555  +8*e_4_2_4 &
119556  -4*e_3_1_4)
119557  e_4_3_4 = zeta*( c1*e_3_2_4 &
119558  +c2*e_4_2_4&
119559  +10*e_5_2_4 &
119560  -4*e_4_1_4)
119561  e_5_3_4 = zeta*( c1*e_4_2_4 &
119562  +c2*e_5_2_4&
119563  +12*e_6_2_4 &
119564  -4*e_5_1_4)
119565  e_6_3_4 = zeta*( c1*e_5_2_4 &
119566  +c2*e_6_2_4&
119567 
119568  )
119569  e_7_3_4 = zeta*( c1*e_6_2_4 &
119570 
119571 
119572  )
119573  e_0_4_4 = zeta*( &
119574  +c2*e_0_3_4&
119575  +2*e_1_3_4 &
119576  -6*e_0_2_4)
119577  e_1_4_4 = zeta*( c1*e_0_3_4 &
119578  +c2*e_1_3_4&
119579  +4*e_2_3_4 &
119580  -6*e_1_2_4)
119581  e_2_4_4 = zeta*( c1*e_1_3_4 &
119582  +c2*e_2_3_4&
119583  +6*e_3_3_4 &
119584  -6*e_2_2_4)
119585  e_3_4_4 = zeta*( c1*e_2_3_4 &
119586  +c2*e_3_3_4&
119587  +8*e_4_3_4 &
119588  -6*e_3_2_4)
119589  e_4_4_4 = zeta*( c1*e_3_3_4 &
119590  +c2*e_4_3_4&
119591  +10*e_5_3_4 &
119592  -6*e_4_2_4)
119593  e_5_4_4 = zeta*( c1*e_4_3_4 &
119594  +c2*e_5_3_4&
119595  +12*e_6_3_4 &
119596  -6*e_5_2_4)
119597  e_6_4_4 = zeta*( c1*e_5_3_4 &
119598  +c2*e_6_3_4&
119599  +14*e_7_3_4 &
119600  -6*e_6_2_4)
119601  e_7_4_4 = zeta*( c1*e_6_3_4 &
119602  +c2*e_7_3_4&
119603 
119604  )
119605  e_8_4_4 = zeta*( c1*e_7_3_4 &
119606 
119607 
119608  )
119609 
119610  s_r(0, 0, 0) = s_r(0, 0, 0) + e_0_0_0*(1)*s_r_t2_0 ! cost: 5 flops
119611  s_r(1, 0, 0) = s_r(1, 0, 0) + e_0_1_0*(1)*s_r_t2_0 ! cost: 5 flops
119612  s_r(1, 0, 0) = s_r(1, 0, 0) + e_1_1_0*(1)*s_r_t2_1 ! cost: 5 flops
119613  s_r(2, 0, 0) = s_r(2, 0, 0) + e_0_2_0*(1)*s_r_t2_0 ! cost: 5 flops
119614  s_r(2, 0, 0) = s_r(2, 0, 0) + e_1_2_0*(1)*s_r_t2_1 ! cost: 5 flops
119615  s_r(2, 0, 0) = s_r(2, 0, 0) + e_2_2_0*(1)*s_r_t2_2 ! cost: 5 flops
119616  s_r(3, 0, 0) = s_r(3, 0, 0) + e_0_3_0*(1)*s_r_t2_0 ! cost: 5 flops
119617  s_r(3, 0, 0) = s_r(3, 0, 0) + e_1_3_0*(1)*s_r_t2_1 ! cost: 5 flops
119618  s_r(3, 0, 0) = s_r(3, 0, 0) + e_2_3_0*(1)*s_r_t2_2 ! cost: 5 flops
119619  s_r(3, 0, 0) = s_r(3, 0, 0) + e_3_3_0*(1)*s_r_t2_3 ! cost: 5 flops
119620  s_r(4, 0, 0) = s_r(4, 0, 0) + e_0_4_0*(1)*s_r_t2_0 ! cost: 5 flops
119621  s_r(4, 0, 0) = s_r(4, 0, 0) + e_1_4_0*(1)*s_r_t2_1 ! cost: 5 flops
119622  s_r(4, 0, 0) = s_r(4, 0, 0) + e_2_4_0*(1)*s_r_t2_2 ! cost: 5 flops
119623  s_r(4, 0, 0) = s_r(4, 0, 0) + e_3_4_0*(1)*s_r_t2_3 ! cost: 5 flops
119624  s_r(4, 0, 0) = s_r(4, 0, 0) + e_4_4_0*(1)*s_r_t2_4 ! cost: 5 flops
119625  s_r(0, 1, 0) = s_r(0, 1, 0) + e_0_0_1*(1)*s_r_t2_0 ! cost: 5 flops
119626  s_r(0, 1, 0) = s_r(0, 1, 0) + e_1_0_1*(1)*s_r_t2_1 ! cost: 5 flops
119627  s_r(1, 1, 0) = s_r(1, 1, 0) + e_0_1_1*(1)*s_r_t2_0 ! cost: 5 flops
119628  s_r(1, 1, 0) = s_r(1, 1, 0) + e_1_1_1*(1)*s_r_t2_1 ! cost: 5 flops
119629  s_r(1, 1, 0) = s_r(1, 1, 0) + e_2_1_1*(1)*s_r_t2_2 ! cost: 5 flops
119630  s_r(2, 1, 0) = s_r(2, 1, 0) + e_0_2_1*(1)*s_r_t2_0 ! cost: 5 flops
119631  s_r(2, 1, 0) = s_r(2, 1, 0) + e_1_2_1*(1)*s_r_t2_1 ! cost: 5 flops
119632  s_r(2, 1, 0) = s_r(2, 1, 0) + e_2_2_1*(1)*s_r_t2_2 ! cost: 5 flops
119633  s_r(2, 1, 0) = s_r(2, 1, 0) + e_3_2_1*(1)*s_r_t2_3 ! cost: 5 flops
119634  s_r(3, 1, 0) = s_r(3, 1, 0) + e_0_3_1*(1)*s_r_t2_0 ! cost: 5 flops
119635  s_r(3, 1, 0) = s_r(3, 1, 0) + e_1_3_1*(1)*s_r_t2_1 ! cost: 5 flops
119636  s_r(3, 1, 0) = s_r(3, 1, 0) + e_2_3_1*(1)*s_r_t2_2 ! cost: 5 flops
119637  s_r(3, 1, 0) = s_r(3, 1, 0) + e_3_3_1*(1)*s_r_t2_3 ! cost: 5 flops
119638  s_r(3, 1, 0) = s_r(3, 1, 0) + e_4_3_1*(1)*s_r_t2_4 ! cost: 5 flops
119639  s_r(4, 1, 0) = s_r(4, 1, 0) + e_0_4_1*(1)*s_r_t2_0 ! cost: 5 flops
119640  s_r(4, 1, 0) = s_r(4, 1, 0) + e_1_4_1*(1)*s_r_t2_1 ! cost: 5 flops
119641  s_r(4, 1, 0) = s_r(4, 1, 0) + e_2_4_1*(1)*s_r_t2_2 ! cost: 5 flops
119642  s_r(4, 1, 0) = s_r(4, 1, 0) + e_3_4_1*(1)*s_r_t2_3 ! cost: 5 flops
119643  s_r(4, 1, 0) = s_r(4, 1, 0) + e_4_4_1*(1)*s_r_t2_4 ! cost: 5 flops
119644  s_r(4, 1, 0) = s_r(4, 1, 0) + e_5_4_1*(1)*s_r_t2_5 ! cost: 5 flops
119645  s_r(0, 2, 0) = s_r(0, 2, 0) + e_0_0_2*(1)*s_r_t2_0 ! cost: 5 flops
119646  s_r(0, 2, 0) = s_r(0, 2, 0) + e_1_0_2*(1)*s_r_t2_1 ! cost: 5 flops
119647  s_r(0, 2, 0) = s_r(0, 2, 0) + e_2_0_2*(1)*s_r_t2_2 ! cost: 5 flops
119648  s_r(1, 2, 0) = s_r(1, 2, 0) + e_0_1_2*(1)*s_r_t2_0 ! cost: 5 flops
119649  s_r(1, 2, 0) = s_r(1, 2, 0) + e_1_1_2*(1)*s_r_t2_1 ! cost: 5 flops
119650  s_r(1, 2, 0) = s_r(1, 2, 0) + e_2_1_2*(1)*s_r_t2_2 ! cost: 5 flops
119651  s_r(1, 2, 0) = s_r(1, 2, 0) + e_3_1_2*(1)*s_r_t2_3 ! cost: 5 flops
119652  s_r(2, 2, 0) = s_r(2, 2, 0) + e_0_2_2*(1)*s_r_t2_0 ! cost: 5 flops
119653  s_r(2, 2, 0) = s_r(2, 2, 0) + e_1_2_2*(1)*s_r_t2_1 ! cost: 5 flops
119654  s_r(2, 2, 0) = s_r(2, 2, 0) + e_2_2_2*(1)*s_r_t2_2 ! cost: 5 flops
119655  s_r(2, 2, 0) = s_r(2, 2, 0) + e_3_2_2*(1)*s_r_t2_3 ! cost: 5 flops
119656  s_r(2, 2, 0) = s_r(2, 2, 0) + e_4_2_2*(1)*s_r_t2_4 ! cost: 5 flops
119657  s_r(3, 2, 0) = s_r(3, 2, 0) + e_0_3_2*(1)*s_r_t2_0 ! cost: 5 flops
119658  s_r(3, 2, 0) = s_r(3, 2, 0) + e_1_3_2*(1)*s_r_t2_1 ! cost: 5 flops
119659  s_r(3, 2, 0) = s_r(3, 2, 0) + e_2_3_2*(1)*s_r_t2_2 ! cost: 5 flops
119660  s_r(3, 2, 0) = s_r(3, 2, 0) + e_3_3_2*(1)*s_r_t2_3 ! cost: 5 flops
119661  s_r(3, 2, 0) = s_r(3, 2, 0) + e_4_3_2*(1)*s_r_t2_4 ! cost: 5 flops
119662  s_r(3, 2, 0) = s_r(3, 2, 0) + e_5_3_2*(1)*s_r_t2_5 ! cost: 5 flops
119663  s_r(4, 2, 0) = s_r(4, 2, 0) + e_0_4_2*(1)*s_r_t2_0 ! cost: 5 flops
119664  s_r(4, 2, 0) = s_r(4, 2, 0) + e_1_4_2*(1)*s_r_t2_1 ! cost: 5 flops
119665  s_r(4, 2, 0) = s_r(4, 2, 0) + e_2_4_2*(1)*s_r_t2_2 ! cost: 5 flops
119666  s_r(4, 2, 0) = s_r(4, 2, 0) + e_3_4_2*(1)*s_r_t2_3 ! cost: 5 flops
119667  s_r(4, 2, 0) = s_r(4, 2, 0) + e_4_4_2*(1)*s_r_t2_4 ! cost: 5 flops
119668  s_r(4, 2, 0) = s_r(4, 2, 0) + e_5_4_2*(1)*s_r_t2_5 ! cost: 5 flops
119669  s_r(4, 2, 0) = s_r(4, 2, 0) + e_6_4_2*(1)*s_r_t2_6 ! cost: 5 flops
119670  s_r(0, 3, 0) = s_r(0, 3, 0) + e_0_0_3*(1)*s_r_t2_0 ! cost: 5 flops
119671  s_r(0, 3, 0) = s_r(0, 3, 0) + e_1_0_3*(1)*s_r_t2_1 ! cost: 5 flops
119672  s_r(0, 3, 0) = s_r(0, 3, 0) + e_2_0_3*(1)*s_r_t2_2 ! cost: 5 flops
119673  s_r(0, 3, 0) = s_r(0, 3, 0) + e_3_0_3*(1)*s_r_t2_3 ! cost: 5 flops
119674  s_r(1, 3, 0) = s_r(1, 3, 0) + e_0_1_3*(1)*s_r_t2_0 ! cost: 5 flops
119675  s_r(1, 3, 0) = s_r(1, 3, 0) + e_1_1_3*(1)*s_r_t2_1 ! cost: 5 flops
119676  s_r(1, 3, 0) = s_r(1, 3, 0) + e_2_1_3*(1)*s_r_t2_2 ! cost: 5 flops
119677  s_r(1, 3, 0) = s_r(1, 3, 0) + e_3_1_3*(1)*s_r_t2_3 ! cost: 5 flops
119678  s_r(1, 3, 0) = s_r(1, 3, 0) + e_4_1_3*(1)*s_r_t2_4 ! cost: 5 flops
119679  s_r(2, 3, 0) = s_r(2, 3, 0) + e_0_2_3*(1)*s_r_t2_0 ! cost: 5 flops
119680  s_r(2, 3, 0) = s_r(2, 3, 0) + e_1_2_3*(1)*s_r_t2_1 ! cost: 5 flops
119681  s_r(2, 3, 0) = s_r(2, 3, 0) + e_2_2_3*(1)*s_r_t2_2 ! cost: 5 flops
119682  s_r(2, 3, 0) = s_r(2, 3, 0) + e_3_2_3*(1)*s_r_t2_3 ! cost: 5 flops
119683  s_r(2, 3, 0) = s_r(2, 3, 0) + e_4_2_3*(1)*s_r_t2_4 ! cost: 5 flops
119684  s_r(2, 3, 0) = s_r(2, 3, 0) + e_5_2_3*(1)*s_r_t2_5 ! cost: 5 flops
119685  s_r(3, 3, 0) = s_r(3, 3, 0) + e_0_3_3*(1)*s_r_t2_0 ! cost: 5 flops
119686  s_r(3, 3, 0) = s_r(3, 3, 0) + e_1_3_3*(1)*s_r_t2_1 ! cost: 5 flops
119687  s_r(3, 3, 0) = s_r(3, 3, 0) + e_2_3_3*(1)*s_r_t2_2 ! cost: 5 flops
119688  s_r(3, 3, 0) = s_r(3, 3, 0) + e_3_3_3*(1)*s_r_t2_3 ! cost: 5 flops
119689  s_r(3, 3, 0) = s_r(3, 3, 0) + e_4_3_3*(1)*s_r_t2_4 ! cost: 5 flops
119690  s_r(3, 3, 0) = s_r(3, 3, 0) + e_5_3_3*(1)*s_r_t2_5 ! cost: 5 flops
119691  s_r(3, 3, 0) = s_r(3, 3, 0) + e_6_3_3*(1)*s_r_t2_6 ! cost: 5 flops
119692  s_r(4, 3, 0) = s_r(4, 3, 0) + e_0_4_3*(1)*s_r_t2_0 ! cost: 5 flops
119693  s_r(4, 3, 0) = s_r(4, 3, 0) + e_1_4_3*(1)*s_r_t2_1 ! cost: 5 flops
119694  s_r(4, 3, 0) = s_r(4, 3, 0) + e_2_4_3*(1)*s_r_t2_2 ! cost: 5 flops
119695  s_r(4, 3, 0) = s_r(4, 3, 0) + e_3_4_3*(1)*s_r_t2_3 ! cost: 5 flops
119696  s_r(4, 3, 0) = s_r(4, 3, 0) + e_4_4_3*(1)*s_r_t2_4 ! cost: 5 flops
119697  s_r(4, 3, 0) = s_r(4, 3, 0) + e_5_4_3*(1)*s_r_t2_5 ! cost: 5 flops
119698  s_r(4, 3, 0) = s_r(4, 3, 0) + e_6_4_3*(1)*s_r_t2_6 ! cost: 5 flops
119699  s_r(4, 3, 0) = s_r(4, 3, 0) + e_7_4_3*(1)*s_r_t2_7 ! cost: 5 flops
119700  s_r(0, 4, 0) = s_r(0, 4, 0) + e_0_0_4*(1)*s_r_t2_0 ! cost: 5 flops
119701  s_r(0, 4, 0) = s_r(0, 4, 0) + e_1_0_4*(1)*s_r_t2_1 ! cost: 5 flops
119702  s_r(0, 4, 0) = s_r(0, 4, 0) + e_2_0_4*(1)*s_r_t2_2 ! cost: 5 flops
119703  s_r(0, 4, 0) = s_r(0, 4, 0) + e_3_0_4*(1)*s_r_t2_3 ! cost: 5 flops
119704  s_r(0, 4, 0) = s_r(0, 4, 0) + e_4_0_4*(1)*s_r_t2_4 ! cost: 5 flops
119705  s_r(1, 4, 0) = s_r(1, 4, 0) + e_0_1_4*(1)*s_r_t2_0 ! cost: 5 flops
119706  s_r(1, 4, 0) = s_r(1, 4, 0) + e_1_1_4*(1)*s_r_t2_1 ! cost: 5 flops
119707  s_r(1, 4, 0) = s_r(1, 4, 0) + e_2_1_4*(1)*s_r_t2_2 ! cost: 5 flops
119708  s_r(1, 4, 0) = s_r(1, 4, 0) + e_3_1_4*(1)*s_r_t2_3 ! cost: 5 flops
119709  s_r(1, 4, 0) = s_r(1, 4, 0) + e_4_1_4*(1)*s_r_t2_4 ! cost: 5 flops
119710  s_r(1, 4, 0) = s_r(1, 4, 0) + e_5_1_4*(1)*s_r_t2_5 ! cost: 5 flops
119711  s_r(2, 4, 0) = s_r(2, 4, 0) + e_0_2_4*(1)*s_r_t2_0 ! cost: 5 flops
119712  s_r(2, 4, 0) = s_r(2, 4, 0) + e_1_2_4*(1)*s_r_t2_1 ! cost: 5 flops
119713  s_r(2, 4, 0) = s_r(2, 4, 0) + e_2_2_4*(1)*s_r_t2_2 ! cost: 5 flops
119714  s_r(2, 4, 0) = s_r(2, 4, 0) + e_3_2_4*(1)*s_r_t2_3 ! cost: 5 flops
119715  s_r(2, 4, 0) = s_r(2, 4, 0) + e_4_2_4*(1)*s_r_t2_4 ! cost: 5 flops
119716  s_r(2, 4, 0) = s_r(2, 4, 0) + e_5_2_4*(1)*s_r_t2_5 ! cost: 5 flops
119717  s_r(2, 4, 0) = s_r(2, 4, 0) + e_6_2_4*(1)*s_r_t2_6 ! cost: 5 flops
119718  s_r(3, 4, 0) = s_r(3, 4, 0) + e_0_3_4*(1)*s_r_t2_0 ! cost: 5 flops
119719  s_r(3, 4, 0) = s_r(3, 4, 0) + e_1_3_4*(1)*s_r_t2_1 ! cost: 5 flops
119720  s_r(3, 4, 0) = s_r(3, 4, 0) + e_2_3_4*(1)*s_r_t2_2 ! cost: 5 flops
119721  s_r(3, 4, 0) = s_r(3, 4, 0) + e_3_3_4*(1)*s_r_t2_3 ! cost: 5 flops
119722  s_r(3, 4, 0) = s_r(3, 4, 0) + e_4_3_4*(1)*s_r_t2_4 ! cost: 5 flops
119723  s_r(3, 4, 0) = s_r(3, 4, 0) + e_5_3_4*(1)*s_r_t2_5 ! cost: 5 flops
119724  s_r(3, 4, 0) = s_r(3, 4, 0) + e_6_3_4*(1)*s_r_t2_6 ! cost: 5 flops
119725  s_r(3, 4, 0) = s_r(3, 4, 0) + e_7_3_4*(1)*s_r_t2_7 ! cost: 5 flops
119726  s_r(4, 4, 0) = s_r(4, 4, 0) + e_0_4_4*(1)*s_r_t2_0 ! cost: 5 flops
119727  s_r(4, 4, 0) = s_r(4, 4, 0) + e_1_4_4*(1)*s_r_t2_1 ! cost: 5 flops
119728  s_r(4, 4, 0) = s_r(4, 4, 0) + e_2_4_4*(1)*s_r_t2_2 ! cost: 5 flops
119729  s_r(4, 4, 0) = s_r(4, 4, 0) + e_3_4_4*(1)*s_r_t2_3 ! cost: 5 flops
119730  s_r(4, 4, 0) = s_r(4, 4, 0) + e_4_4_4*(1)*s_r_t2_4 ! cost: 5 flops
119731  s_r(4, 4, 0) = s_r(4, 4, 0) + e_5_4_4*(1)*s_r_t2_5 ! cost: 5 flops
119732  s_r(4, 4, 0) = s_r(4, 4, 0) + e_6_4_4*(1)*s_r_t2_6 ! cost: 5 flops
119733  s_r(4, 4, 0) = s_r(4, 4, 0) + e_7_4_4*(1)*s_r_t2_7 ! cost: 5 flops
119734  s_r(4, 4, 0) = s_r(4, 4, 0) + e_8_4_4*(1)*s_r_t2_8 ! cost: 5 flops
119735  s_r(0, 0, 1) = s_r(0, 0, 1) + e_0_0_0*(-1)*s_r_t2_1 ! cost: 5 flops
119736  s_r(1, 0, 1) = s_r(1, 0, 1) + e_0_1_0*(-1)*s_r_t2_1 ! cost: 5 flops
119737  s_r(1, 0, 1) = s_r(1, 0, 1) + e_1_1_0*(-1)*s_r_t2_2 ! cost: 5 flops
119738  s_r(2, 0, 1) = s_r(2, 0, 1) + e_0_2_0*(-1)*s_r_t2_1 ! cost: 5 flops
119739  s_r(2, 0, 1) = s_r(2, 0, 1) + e_1_2_0*(-1)*s_r_t2_2 ! cost: 5 flops
119740  s_r(2, 0, 1) = s_r(2, 0, 1) + e_2_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
119741  s_r(3, 0, 1) = s_r(3, 0, 1) + e_0_3_0*(-1)*s_r_t2_1 ! cost: 5 flops
119742  s_r(3, 0, 1) = s_r(3, 0, 1) + e_1_3_0*(-1)*s_r_t2_2 ! cost: 5 flops
119743  s_r(3, 0, 1) = s_r(3, 0, 1) + e_2_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
119744  s_r(3, 0, 1) = s_r(3, 0, 1) + e_3_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
119745  s_r(4, 0, 1) = s_r(4, 0, 1) + e_0_4_0*(-1)*s_r_t2_1 ! cost: 5 flops
119746  s_r(4, 0, 1) = s_r(4, 0, 1) + e_1_4_0*(-1)*s_r_t2_2 ! cost: 5 flops
119747  s_r(4, 0, 1) = s_r(4, 0, 1) + e_2_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
119748  s_r(4, 0, 1) = s_r(4, 0, 1) + e_3_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
119749  s_r(4, 0, 1) = s_r(4, 0, 1) + e_4_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
119750  s_r(0, 1, 1) = s_r(0, 1, 1) + e_0_0_1*(-1)*s_r_t2_1 ! cost: 5 flops
119751  s_r(0, 1, 1) = s_r(0, 1, 1) + e_1_0_1*(-1)*s_r_t2_2 ! cost: 5 flops
119752  s_r(1, 1, 1) = s_r(1, 1, 1) + e_0_1_1*(-1)*s_r_t2_1 ! cost: 5 flops
119753  s_r(1, 1, 1) = s_r(1, 1, 1) + e_1_1_1*(-1)*s_r_t2_2 ! cost: 5 flops
119754  s_r(1, 1, 1) = s_r(1, 1, 1) + e_2_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
119755  s_r(2, 1, 1) = s_r(2, 1, 1) + e_0_2_1*(-1)*s_r_t2_1 ! cost: 5 flops
119756  s_r(2, 1, 1) = s_r(2, 1, 1) + e_1_2_1*(-1)*s_r_t2_2 ! cost: 5 flops
119757  s_r(2, 1, 1) = s_r(2, 1, 1) + e_2_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
119758  s_r(2, 1, 1) = s_r(2, 1, 1) + e_3_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
119759  s_r(3, 1, 1) = s_r(3, 1, 1) + e_0_3_1*(-1)*s_r_t2_1 ! cost: 5 flops
119760  s_r(3, 1, 1) = s_r(3, 1, 1) + e_1_3_1*(-1)*s_r_t2_2 ! cost: 5 flops
119761  s_r(3, 1, 1) = s_r(3, 1, 1) + e_2_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
119762  s_r(3, 1, 1) = s_r(3, 1, 1) + e_3_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
119763  s_r(3, 1, 1) = s_r(3, 1, 1) + e_4_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
119764  s_r(4, 1, 1) = s_r(4, 1, 1) + e_0_4_1*(-1)*s_r_t2_1 ! cost: 5 flops
119765  s_r(4, 1, 1) = s_r(4, 1, 1) + e_1_4_1*(-1)*s_r_t2_2 ! cost: 5 flops
119766  s_r(4, 1, 1) = s_r(4, 1, 1) + e_2_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
119767  s_r(4, 1, 1) = s_r(4, 1, 1) + e_3_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
119768  s_r(4, 1, 1) = s_r(4, 1, 1) + e_4_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
119769  s_r(4, 1, 1) = s_r(4, 1, 1) + e_5_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
119770  s_r(0, 2, 1) = s_r(0, 2, 1) + e_0_0_2*(-1)*s_r_t2_1 ! cost: 5 flops
119771  s_r(0, 2, 1) = s_r(0, 2, 1) + e_1_0_2*(-1)*s_r_t2_2 ! cost: 5 flops
119772  s_r(0, 2, 1) = s_r(0, 2, 1) + e_2_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
119773  s_r(1, 2, 1) = s_r(1, 2, 1) + e_0_1_2*(-1)*s_r_t2_1 ! cost: 5 flops
119774  s_r(1, 2, 1) = s_r(1, 2, 1) + e_1_1_2*(-1)*s_r_t2_2 ! cost: 5 flops
119775  s_r(1, 2, 1) = s_r(1, 2, 1) + e_2_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
119776  s_r(1, 2, 1) = s_r(1, 2, 1) + e_3_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
119777  s_r(2, 2, 1) = s_r(2, 2, 1) + e_0_2_2*(-1)*s_r_t2_1 ! cost: 5 flops
119778  s_r(2, 2, 1) = s_r(2, 2, 1) + e_1_2_2*(-1)*s_r_t2_2 ! cost: 5 flops
119779  s_r(2, 2, 1) = s_r(2, 2, 1) + e_2_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
119780  s_r(2, 2, 1) = s_r(2, 2, 1) + e_3_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
119781  s_r(2, 2, 1) = s_r(2, 2, 1) + e_4_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
119782  s_r(3, 2, 1) = s_r(3, 2, 1) + e_0_3_2*(-1)*s_r_t2_1 ! cost: 5 flops
119783  s_r(3, 2, 1) = s_r(3, 2, 1) + e_1_3_2*(-1)*s_r_t2_2 ! cost: 5 flops
119784  s_r(3, 2, 1) = s_r(3, 2, 1) + e_2_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
119785  s_r(3, 2, 1) = s_r(3, 2, 1) + e_3_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
119786  s_r(3, 2, 1) = s_r(3, 2, 1) + e_4_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
119787  s_r(3, 2, 1) = s_r(3, 2, 1) + e_5_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
119788  s_r(4, 2, 1) = s_r(4, 2, 1) + e_0_4_2*(-1)*s_r_t2_1 ! cost: 5 flops
119789  s_r(4, 2, 1) = s_r(4, 2, 1) + e_1_4_2*(-1)*s_r_t2_2 ! cost: 5 flops
119790  s_r(4, 2, 1) = s_r(4, 2, 1) + e_2_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
119791  s_r(4, 2, 1) = s_r(4, 2, 1) + e_3_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
119792  s_r(4, 2, 1) = s_r(4, 2, 1) + e_4_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
119793  s_r(4, 2, 1) = s_r(4, 2, 1) + e_5_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
119794  s_r(4, 2, 1) = s_r(4, 2, 1) + e_6_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
119795  s_r(0, 3, 1) = s_r(0, 3, 1) + e_0_0_3*(-1)*s_r_t2_1 ! cost: 5 flops
119796  s_r(0, 3, 1) = s_r(0, 3, 1) + e_1_0_3*(-1)*s_r_t2_2 ! cost: 5 flops
119797  s_r(0, 3, 1) = s_r(0, 3, 1) + e_2_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
119798  s_r(0, 3, 1) = s_r(0, 3, 1) + e_3_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
119799  s_r(1, 3, 1) = s_r(1, 3, 1) + e_0_1_3*(-1)*s_r_t2_1 ! cost: 5 flops
119800  s_r(1, 3, 1) = s_r(1, 3, 1) + e_1_1_3*(-1)*s_r_t2_2 ! cost: 5 flops
119801  s_r(1, 3, 1) = s_r(1, 3, 1) + e_2_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
119802  s_r(1, 3, 1) = s_r(1, 3, 1) + e_3_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
119803  s_r(1, 3, 1) = s_r(1, 3, 1) + e_4_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
119804  s_r(2, 3, 1) = s_r(2, 3, 1) + e_0_2_3*(-1)*s_r_t2_1 ! cost: 5 flops
119805  s_r(2, 3, 1) = s_r(2, 3, 1) + e_1_2_3*(-1)*s_r_t2_2 ! cost: 5 flops
119806  s_r(2, 3, 1) = s_r(2, 3, 1) + e_2_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
119807  s_r(2, 3, 1) = s_r(2, 3, 1) + e_3_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
119808  s_r(2, 3, 1) = s_r(2, 3, 1) + e_4_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
119809  s_r(2, 3, 1) = s_r(2, 3, 1) + e_5_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
119810  s_r(3, 3, 1) = s_r(3, 3, 1) + e_0_3_3*(-1)*s_r_t2_1 ! cost: 5 flops
119811  s_r(3, 3, 1) = s_r(3, 3, 1) + e_1_3_3*(-1)*s_r_t2_2 ! cost: 5 flops
119812  s_r(3, 3, 1) = s_r(3, 3, 1) + e_2_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
119813  s_r(3, 3, 1) = s_r(3, 3, 1) + e_3_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
119814  s_r(3, 3, 1) = s_r(3, 3, 1) + e_4_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
119815  s_r(3, 3, 1) = s_r(3, 3, 1) + e_5_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
119816  s_r(3, 3, 1) = s_r(3, 3, 1) + e_6_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
119817  s_r(4, 3, 1) = s_r(4, 3, 1) + e_0_4_3*(-1)*s_r_t2_1 ! cost: 5 flops
119818  s_r(4, 3, 1) = s_r(4, 3, 1) + e_1_4_3*(-1)*s_r_t2_2 ! cost: 5 flops
119819  s_r(4, 3, 1) = s_r(4, 3, 1) + e_2_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
119820  s_r(4, 3, 1) = s_r(4, 3, 1) + e_3_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
119821  s_r(4, 3, 1) = s_r(4, 3, 1) + e_4_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
119822  s_r(4, 3, 1) = s_r(4, 3, 1) + e_5_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
119823  s_r(4, 3, 1) = s_r(4, 3, 1) + e_6_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
119824  s_r(4, 3, 1) = s_r(4, 3, 1) + e_7_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
119825  s_r(0, 4, 1) = s_r(0, 4, 1) + e_0_0_4*(-1)*s_r_t2_1 ! cost: 5 flops
119826  s_r(0, 4, 1) = s_r(0, 4, 1) + e_1_0_4*(-1)*s_r_t2_2 ! cost: 5 flops
119827  s_r(0, 4, 1) = s_r(0, 4, 1) + e_2_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
119828  s_r(0, 4, 1) = s_r(0, 4, 1) + e_3_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
119829  s_r(0, 4, 1) = s_r(0, 4, 1) + e_4_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
119830  s_r(1, 4, 1) = s_r(1, 4, 1) + e_0_1_4*(-1)*s_r_t2_1 ! cost: 5 flops
119831  s_r(1, 4, 1) = s_r(1, 4, 1) + e_1_1_4*(-1)*s_r_t2_2 ! cost: 5 flops
119832  s_r(1, 4, 1) = s_r(1, 4, 1) + e_2_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
119833  s_r(1, 4, 1) = s_r(1, 4, 1) + e_3_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
119834  s_r(1, 4, 1) = s_r(1, 4, 1) + e_4_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
119835  s_r(1, 4, 1) = s_r(1, 4, 1) + e_5_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
119836  s_r(2, 4, 1) = s_r(2, 4, 1) + e_0_2_4*(-1)*s_r_t2_1 ! cost: 5 flops
119837  s_r(2, 4, 1) = s_r(2, 4, 1) + e_1_2_4*(-1)*s_r_t2_2 ! cost: 5 flops
119838  s_r(2, 4, 1) = s_r(2, 4, 1) + e_2_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
119839  s_r(2, 4, 1) = s_r(2, 4, 1) + e_3_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
119840  s_r(2, 4, 1) = s_r(2, 4, 1) + e_4_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
119841  s_r(2, 4, 1) = s_r(2, 4, 1) + e_5_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
119842  s_r(2, 4, 1) = s_r(2, 4, 1) + e_6_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
119843  s_r(3, 4, 1) = s_r(3, 4, 1) + e_0_3_4*(-1)*s_r_t2_1 ! cost: 5 flops
119844  s_r(3, 4, 1) = s_r(3, 4, 1) + e_1_3_4*(-1)*s_r_t2_2 ! cost: 5 flops
119845  s_r(3, 4, 1) = s_r(3, 4, 1) + e_2_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
119846  s_r(3, 4, 1) = s_r(3, 4, 1) + e_3_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
119847  s_r(3, 4, 1) = s_r(3, 4, 1) + e_4_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
119848  s_r(3, 4, 1) = s_r(3, 4, 1) + e_5_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
119849  s_r(3, 4, 1) = s_r(3, 4, 1) + e_6_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
119850  s_r(3, 4, 1) = s_r(3, 4, 1) + e_7_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
119851  s_r(4, 4, 1) = s_r(4, 4, 1) + e_0_4_4*(-1)*s_r_t2_1 ! cost: 5 flops
119852  s_r(4, 4, 1) = s_r(4, 4, 1) + e_1_4_4*(-1)*s_r_t2_2 ! cost: 5 flops
119853  s_r(4, 4, 1) = s_r(4, 4, 1) + e_2_4_4*(-1)*s_r_t2_3 ! cost: 5 flops
119854  s_r(4, 4, 1) = s_r(4, 4, 1) + e_3_4_4*(-1)*s_r_t2_4 ! cost: 5 flops
119855  s_r(4, 4, 1) = s_r(4, 4, 1) + e_4_4_4*(-1)*s_r_t2_5 ! cost: 5 flops
119856  s_r(4, 4, 1) = s_r(4, 4, 1) + e_5_4_4*(-1)*s_r_t2_6 ! cost: 5 flops
119857  s_r(4, 4, 1) = s_r(4, 4, 1) + e_6_4_4*(-1)*s_r_t2_7 ! cost: 5 flops
119858  s_r(4, 4, 1) = s_r(4, 4, 1) + e_7_4_4*(-1)*s_r_t2_8 ! cost: 5 flops
119859  s_r(4, 4, 1) = s_r(4, 4, 1) + e_8_4_4*(-1)*s_r_t2_9 ! cost: 5 flops
119860  s_r(0, 0, 2) = s_r(0, 0, 2) + e_0_0_0*(1)*s_r_t2_2 ! cost: 5 flops
119861  s_r(1, 0, 2) = s_r(1, 0, 2) + e_0_1_0*(1)*s_r_t2_2 ! cost: 5 flops
119862  s_r(1, 0, 2) = s_r(1, 0, 2) + e_1_1_0*(1)*s_r_t2_3 ! cost: 5 flops
119863  s_r(2, 0, 2) = s_r(2, 0, 2) + e_0_2_0*(1)*s_r_t2_2 ! cost: 5 flops
119864  s_r(2, 0, 2) = s_r(2, 0, 2) + e_1_2_0*(1)*s_r_t2_3 ! cost: 5 flops
119865  s_r(2, 0, 2) = s_r(2, 0, 2) + e_2_2_0*(1)*s_r_t2_4 ! cost: 5 flops
119866  s_r(3, 0, 2) = s_r(3, 0, 2) + e_0_3_0*(1)*s_r_t2_2 ! cost: 5 flops
119867  s_r(3, 0, 2) = s_r(3, 0, 2) + e_1_3_0*(1)*s_r_t2_3 ! cost: 5 flops
119868  s_r(3, 0, 2) = s_r(3, 0, 2) + e_2_3_0*(1)*s_r_t2_4 ! cost: 5 flops
119869  s_r(3, 0, 2) = s_r(3, 0, 2) + e_3_3_0*(1)*s_r_t2_5 ! cost: 5 flops
119870  s_r(4, 0, 2) = s_r(4, 0, 2) + e_0_4_0*(1)*s_r_t2_2 ! cost: 5 flops
119871  s_r(4, 0, 2) = s_r(4, 0, 2) + e_1_4_0*(1)*s_r_t2_3 ! cost: 5 flops
119872  s_r(4, 0, 2) = s_r(4, 0, 2) + e_2_4_0*(1)*s_r_t2_4 ! cost: 5 flops
119873  s_r(4, 0, 2) = s_r(4, 0, 2) + e_3_4_0*(1)*s_r_t2_5 ! cost: 5 flops
119874  s_r(4, 0, 2) = s_r(4, 0, 2) + e_4_4_0*(1)*s_r_t2_6 ! cost: 5 flops
119875  s_r(0, 1, 2) = s_r(0, 1, 2) + e_0_0_1*(1)*s_r_t2_2 ! cost: 5 flops
119876  s_r(0, 1, 2) = s_r(0, 1, 2) + e_1_0_1*(1)*s_r_t2_3 ! cost: 5 flops
119877  s_r(1, 1, 2) = s_r(1, 1, 2) + e_0_1_1*(1)*s_r_t2_2 ! cost: 5 flops
119878  s_r(1, 1, 2) = s_r(1, 1, 2) + e_1_1_1*(1)*s_r_t2_3 ! cost: 5 flops
119879  s_r(1, 1, 2) = s_r(1, 1, 2) + e_2_1_1*(1)*s_r_t2_4 ! cost: 5 flops
119880  s_r(2, 1, 2) = s_r(2, 1, 2) + e_0_2_1*(1)*s_r_t2_2 ! cost: 5 flops
119881  s_r(2, 1, 2) = s_r(2, 1, 2) + e_1_2_1*(1)*s_r_t2_3 ! cost: 5 flops
119882  s_r(2, 1, 2) = s_r(2, 1, 2) + e_2_2_1*(1)*s_r_t2_4 ! cost: 5 flops
119883  s_r(2, 1, 2) = s_r(2, 1, 2) + e_3_2_1*(1)*s_r_t2_5 ! cost: 5 flops
119884  s_r(3, 1, 2) = s_r(3, 1, 2) + e_0_3_1*(1)*s_r_t2_2 ! cost: 5 flops
119885  s_r(3, 1, 2) = s_r(3, 1, 2) + e_1_3_1*(1)*s_r_t2_3 ! cost: 5 flops
119886  s_r(3, 1, 2) = s_r(3, 1, 2) + e_2_3_1*(1)*s_r_t2_4 ! cost: 5 flops
119887  s_r(3, 1, 2) = s_r(3, 1, 2) + e_3_3_1*(1)*s_r_t2_5 ! cost: 5 flops
119888  s_r(3, 1, 2) = s_r(3, 1, 2) + e_4_3_1*(1)*s_r_t2_6 ! cost: 5 flops
119889  s_r(4, 1, 2) = s_r(4, 1, 2) + e_0_4_1*(1)*s_r_t2_2 ! cost: 5 flops
119890  s_r(4, 1, 2) = s_r(4, 1, 2) + e_1_4_1*(1)*s_r_t2_3 ! cost: 5 flops
119891  s_r(4, 1, 2) = s_r(4, 1, 2) + e_2_4_1*(1)*s_r_t2_4 ! cost: 5 flops
119892  s_r(4, 1, 2) = s_r(4, 1, 2) + e_3_4_1*(1)*s_r_t2_5 ! cost: 5 flops
119893  s_r(4, 1, 2) = s_r(4, 1, 2) + e_4_4_1*(1)*s_r_t2_6 ! cost: 5 flops
119894  s_r(4, 1, 2) = s_r(4, 1, 2) + e_5_4_1*(1)*s_r_t2_7 ! cost: 5 flops
119895  s_r(0, 2, 2) = s_r(0, 2, 2) + e_0_0_2*(1)*s_r_t2_2 ! cost: 5 flops
119896  s_r(0, 2, 2) = s_r(0, 2, 2) + e_1_0_2*(1)*s_r_t2_3 ! cost: 5 flops
119897  s_r(0, 2, 2) = s_r(0, 2, 2) + e_2_0_2*(1)*s_r_t2_4 ! cost: 5 flops
119898  s_r(1, 2, 2) = s_r(1, 2, 2) + e_0_1_2*(1)*s_r_t2_2 ! cost: 5 flops
119899  s_r(1, 2, 2) = s_r(1, 2, 2) + e_1_1_2*(1)*s_r_t2_3 ! cost: 5 flops
119900  s_r(1, 2, 2) = s_r(1, 2, 2) + e_2_1_2*(1)*s_r_t2_4 ! cost: 5 flops
119901  s_r(1, 2, 2) = s_r(1, 2, 2) + e_3_1_2*(1)*s_r_t2_5 ! cost: 5 flops
119902  s_r(2, 2, 2) = s_r(2, 2, 2) + e_0_2_2*(1)*s_r_t2_2 ! cost: 5 flops
119903  s_r(2, 2, 2) = s_r(2, 2, 2) + e_1_2_2*(1)*s_r_t2_3 ! cost: 5 flops
119904  s_r(2, 2, 2) = s_r(2, 2, 2) + e_2_2_2*(1)*s_r_t2_4 ! cost: 5 flops
119905  s_r(2, 2, 2) = s_r(2, 2, 2) + e_3_2_2*(1)*s_r_t2_5 ! cost: 5 flops
119906  s_r(2, 2, 2) = s_r(2, 2, 2) + e_4_2_2*(1)*s_r_t2_6 ! cost: 5 flops
119907  s_r(3, 2, 2) = s_r(3, 2, 2) + e_0_3_2*(1)*s_r_t2_2 ! cost: 5 flops
119908  s_r(3, 2, 2) = s_r(3, 2, 2) + e_1_3_2*(1)*s_r_t2_3 ! cost: 5 flops
119909  s_r(3, 2, 2) = s_r(3, 2, 2) + e_2_3_2*(1)*s_r_t2_4 ! cost: 5 flops
119910  s_r(3, 2, 2) = s_r(3, 2, 2) + e_3_3_2*(1)*s_r_t2_5 ! cost: 5 flops
119911  s_r(3, 2, 2) = s_r(3, 2, 2) + e_4_3_2*(1)*s_r_t2_6 ! cost: 5 flops
119912  s_r(3, 2, 2) = s_r(3, 2, 2) + e_5_3_2*(1)*s_r_t2_7 ! cost: 5 flops
119913  s_r(4, 2, 2) = s_r(4, 2, 2) + e_0_4_2*(1)*s_r_t2_2 ! cost: 5 flops
119914  s_r(4, 2, 2) = s_r(4, 2, 2) + e_1_4_2*(1)*s_r_t2_3 ! cost: 5 flops
119915  s_r(4, 2, 2) = s_r(4, 2, 2) + e_2_4_2*(1)*s_r_t2_4 ! cost: 5 flops
119916  s_r(4, 2, 2) = s_r(4, 2, 2) + e_3_4_2*(1)*s_r_t2_5 ! cost: 5 flops
119917  s_r(4, 2, 2) = s_r(4, 2, 2) + e_4_4_2*(1)*s_r_t2_6 ! cost: 5 flops
119918  s_r(4, 2, 2) = s_r(4, 2, 2) + e_5_4_2*(1)*s_r_t2_7 ! cost: 5 flops
119919  s_r(4, 2, 2) = s_r(4, 2, 2) + e_6_4_2*(1)*s_r_t2_8 ! cost: 5 flops
119920  s_r(0, 3, 2) = s_r(0, 3, 2) + e_0_0_3*(1)*s_r_t2_2 ! cost: 5 flops
119921  s_r(0, 3, 2) = s_r(0, 3, 2) + e_1_0_3*(1)*s_r_t2_3 ! cost: 5 flops
119922  s_r(0, 3, 2) = s_r(0, 3, 2) + e_2_0_3*(1)*s_r_t2_4 ! cost: 5 flops
119923  s_r(0, 3, 2) = s_r(0, 3, 2) + e_3_0_3*(1)*s_r_t2_5 ! cost: 5 flops
119924  s_r(1, 3, 2) = s_r(1, 3, 2) + e_0_1_3*(1)*s_r_t2_2 ! cost: 5 flops
119925  s_r(1, 3, 2) = s_r(1, 3, 2) + e_1_1_3*(1)*s_r_t2_3 ! cost: 5 flops
119926  s_r(1, 3, 2) = s_r(1, 3, 2) + e_2_1_3*(1)*s_r_t2_4 ! cost: 5 flops
119927  s_r(1, 3, 2) = s_r(1, 3, 2) + e_3_1_3*(1)*s_r_t2_5 ! cost: 5 flops
119928  s_r(1, 3, 2) = s_r(1, 3, 2) + e_4_1_3*(1)*s_r_t2_6 ! cost: 5 flops
119929  s_r(2, 3, 2) = s_r(2, 3, 2) + e_0_2_3*(1)*s_r_t2_2 ! cost: 5 flops
119930  s_r(2, 3, 2) = s_r(2, 3, 2) + e_1_2_3*(1)*s_r_t2_3 ! cost: 5 flops
119931  s_r(2, 3, 2) = s_r(2, 3, 2) + e_2_2_3*(1)*s_r_t2_4 ! cost: 5 flops
119932  s_r(2, 3, 2) = s_r(2, 3, 2) + e_3_2_3*(1)*s_r_t2_5 ! cost: 5 flops
119933  s_r(2, 3, 2) = s_r(2, 3, 2) + e_4_2_3*(1)*s_r_t2_6 ! cost: 5 flops
119934  s_r(2, 3, 2) = s_r(2, 3, 2) + e_5_2_3*(1)*s_r_t2_7 ! cost: 5 flops
119935  s_r(3, 3, 2) = s_r(3, 3, 2) + e_0_3_3*(1)*s_r_t2_2 ! cost: 5 flops
119936  s_r(3, 3, 2) = s_r(3, 3, 2) + e_1_3_3*(1)*s_r_t2_3 ! cost: 5 flops
119937  s_r(3, 3, 2) = s_r(3, 3, 2) + e_2_3_3*(1)*s_r_t2_4 ! cost: 5 flops
119938  s_r(3, 3, 2) = s_r(3, 3, 2) + e_3_3_3*(1)*s_r_t2_5 ! cost: 5 flops
119939  s_r(3, 3, 2) = s_r(3, 3, 2) + e_4_3_3*(1)*s_r_t2_6 ! cost: 5 flops
119940  s_r(3, 3, 2) = s_r(3, 3, 2) + e_5_3_3*(1)*s_r_t2_7 ! cost: 5 flops
119941  s_r(3, 3, 2) = s_r(3, 3, 2) + e_6_3_3*(1)*s_r_t2_8 ! cost: 5 flops
119942  s_r(4, 3, 2) = s_r(4, 3, 2) + e_0_4_3*(1)*s_r_t2_2 ! cost: 5 flops
119943  s_r(4, 3, 2) = s_r(4, 3, 2) + e_1_4_3*(1)*s_r_t2_3 ! cost: 5 flops
119944  s_r(4, 3, 2) = s_r(4, 3, 2) + e_2_4_3*(1)*s_r_t2_4 ! cost: 5 flops
119945  s_r(4, 3, 2) = s_r(4, 3, 2) + e_3_4_3*(1)*s_r_t2_5 ! cost: 5 flops
119946  s_r(4, 3, 2) = s_r(4, 3, 2) + e_4_4_3*(1)*s_r_t2_6 ! cost: 5 flops
119947  s_r(4, 3, 2) = s_r(4, 3, 2) + e_5_4_3*(1)*s_r_t2_7 ! cost: 5 flops
119948  s_r(4, 3, 2) = s_r(4, 3, 2) + e_6_4_3*(1)*s_r_t2_8 ! cost: 5 flops
119949  s_r(4, 3, 2) = s_r(4, 3, 2) + e_7_4_3*(1)*s_r_t2_9 ! cost: 5 flops
119950  s_r(0, 4, 2) = s_r(0, 4, 2) + e_0_0_4*(1)*s_r_t2_2 ! cost: 5 flops
119951  s_r(0, 4, 2) = s_r(0, 4, 2) + e_1_0_4*(1)*s_r_t2_3 ! cost: 5 flops
119952  s_r(0, 4, 2) = s_r(0, 4, 2) + e_2_0_4*(1)*s_r_t2_4 ! cost: 5 flops
119953  s_r(0, 4, 2) = s_r(0, 4, 2) + e_3_0_4*(1)*s_r_t2_5 ! cost: 5 flops
119954  s_r(0, 4, 2) = s_r(0, 4, 2) + e_4_0_4*(1)*s_r_t2_6 ! cost: 5 flops
119955  s_r(1, 4, 2) = s_r(1, 4, 2) + e_0_1_4*(1)*s_r_t2_2 ! cost: 5 flops
119956  s_r(1, 4, 2) = s_r(1, 4, 2) + e_1_1_4*(1)*s_r_t2_3 ! cost: 5 flops
119957  s_r(1, 4, 2) = s_r(1, 4, 2) + e_2_1_4*(1)*s_r_t2_4 ! cost: 5 flops
119958  s_r(1, 4, 2) = s_r(1, 4, 2) + e_3_1_4*(1)*s_r_t2_5 ! cost: 5 flops
119959  s_r(1, 4, 2) = s_r(1, 4, 2) + e_4_1_4*(1)*s_r_t2_6 ! cost: 5 flops
119960  s_r(1, 4, 2) = s_r(1, 4, 2) + e_5_1_4*(1)*s_r_t2_7 ! cost: 5 flops
119961  s_r(2, 4, 2) = s_r(2, 4, 2) + e_0_2_4*(1)*s_r_t2_2 ! cost: 5 flops
119962  s_r(2, 4, 2) = s_r(2, 4, 2) + e_1_2_4*(1)*s_r_t2_3 ! cost: 5 flops
119963  s_r(2, 4, 2) = s_r(2, 4, 2) + e_2_2_4*(1)*s_r_t2_4 ! cost: 5 flops
119964  s_r(2, 4, 2) = s_r(2, 4, 2) + e_3_2_4*(1)*s_r_t2_5 ! cost: 5 flops
119965  s_r(2, 4, 2) = s_r(2, 4, 2) + e_4_2_4*(1)*s_r_t2_6 ! cost: 5 flops
119966  s_r(2, 4, 2) = s_r(2, 4, 2) + e_5_2_4*(1)*s_r_t2_7 ! cost: 5 flops
119967  s_r(2, 4, 2) = s_r(2, 4, 2) + e_6_2_4*(1)*s_r_t2_8 ! cost: 5 flops
119968  s_r(3, 4, 2) = s_r(3, 4, 2) + e_0_3_4*(1)*s_r_t2_2 ! cost: 5 flops
119969  s_r(3, 4, 2) = s_r(3, 4, 2) + e_1_3_4*(1)*s_r_t2_3 ! cost: 5 flops
119970  s_r(3, 4, 2) = s_r(3, 4, 2) + e_2_3_4*(1)*s_r_t2_4 ! cost: 5 flops
119971  s_r(3, 4, 2) = s_r(3, 4, 2) + e_3_3_4*(1)*s_r_t2_5 ! cost: 5 flops
119972  s_r(3, 4, 2) = s_r(3, 4, 2) + e_4_3_4*(1)*s_r_t2_6 ! cost: 5 flops
119973  s_r(3, 4, 2) = s_r(3, 4, 2) + e_5_3_4*(1)*s_r_t2_7 ! cost: 5 flops
119974  s_r(3, 4, 2) = s_r(3, 4, 2) + e_6_3_4*(1)*s_r_t2_8 ! cost: 5 flops
119975  s_r(3, 4, 2) = s_r(3, 4, 2) + e_7_3_4*(1)*s_r_t2_9 ! cost: 5 flops
119976  s_r(4, 4, 2) = s_r(4, 4, 2) + e_0_4_4*(1)*s_r_t2_2 ! cost: 5 flops
119977  s_r(4, 4, 2) = s_r(4, 4, 2) + e_1_4_4*(1)*s_r_t2_3 ! cost: 5 flops
119978  s_r(4, 4, 2) = s_r(4, 4, 2) + e_2_4_4*(1)*s_r_t2_4 ! cost: 5 flops
119979  s_r(4, 4, 2) = s_r(4, 4, 2) + e_3_4_4*(1)*s_r_t2_5 ! cost: 5 flops
119980  s_r(4, 4, 2) = s_r(4, 4, 2) + e_4_4_4*(1)*s_r_t2_6 ! cost: 5 flops
119981  s_r(4, 4, 2) = s_r(4, 4, 2) + e_5_4_4*(1)*s_r_t2_7 ! cost: 5 flops
119982  s_r(4, 4, 2) = s_r(4, 4, 2) + e_6_4_4*(1)*s_r_t2_8 ! cost: 5 flops
119983  s_r(4, 4, 2) = s_r(4, 4, 2) + e_7_4_4*(1)*s_r_t2_9 ! cost: 5 flops
119984  s_r(4, 4, 2) = s_r(4, 4, 2) + e_8_4_4*(1)*s_r_t2_10 ! cost: 5 flops
119985  s_r(0, 0, 3) = s_r(0, 0, 3) + e_0_0_0*(-1)*s_r_t2_3 ! cost: 5 flops
119986  s_r(1, 0, 3) = s_r(1, 0, 3) + e_0_1_0*(-1)*s_r_t2_3 ! cost: 5 flops
119987  s_r(1, 0, 3) = s_r(1, 0, 3) + e_1_1_0*(-1)*s_r_t2_4 ! cost: 5 flops
119988  s_r(2, 0, 3) = s_r(2, 0, 3) + e_0_2_0*(-1)*s_r_t2_3 ! cost: 5 flops
119989  s_r(2, 0, 3) = s_r(2, 0, 3) + e_1_2_0*(-1)*s_r_t2_4 ! cost: 5 flops
119990  s_r(2, 0, 3) = s_r(2, 0, 3) + e_2_2_0*(-1)*s_r_t2_5 ! cost: 5 flops
119991  s_r(3, 0, 3) = s_r(3, 0, 3) + e_0_3_0*(-1)*s_r_t2_3 ! cost: 5 flops
119992  s_r(3, 0, 3) = s_r(3, 0, 3) + e_1_3_0*(-1)*s_r_t2_4 ! cost: 5 flops
119993  s_r(3, 0, 3) = s_r(3, 0, 3) + e_2_3_0*(-1)*s_r_t2_5 ! cost: 5 flops
119994  s_r(3, 0, 3) = s_r(3, 0, 3) + e_3_3_0*(-1)*s_r_t2_6 ! cost: 5 flops
119995  s_r(4, 0, 3) = s_r(4, 0, 3) + e_0_4_0*(-1)*s_r_t2_3 ! cost: 5 flops
119996  s_r(4, 0, 3) = s_r(4, 0, 3) + e_1_4_0*(-1)*s_r_t2_4 ! cost: 5 flops
119997  s_r(4, 0, 3) = s_r(4, 0, 3) + e_2_4_0*(-1)*s_r_t2_5 ! cost: 5 flops
119998  s_r(4, 0, 3) = s_r(4, 0, 3) + e_3_4_0*(-1)*s_r_t2_6 ! cost: 5 flops
119999  s_r(4, 0, 3) = s_r(4, 0, 3) + e_4_4_0*(-1)*s_r_t2_7 ! cost: 5 flops
120000  s_r(0, 1, 3) = s_r(0, 1, 3) + e_0_0_1*(-1)*s_r_t2_3 ! cost: 5 flops
120001  s_r(0, 1, 3) = s_r(0, 1, 3) + e_1_0_1*(-1)*s_r_t2_4 ! cost: 5 flops
120002  s_r(1, 1, 3) = s_r(1, 1, 3) + e_0_1_1*(-1)*s_r_t2_3 ! cost: 5 flops
120003  s_r(1, 1, 3) = s_r(1, 1, 3) + e_1_1_1*(-1)*s_r_t2_4 ! cost: 5 flops
120004  s_r(1, 1, 3) = s_r(1, 1, 3) + e_2_1_1*(-1)*s_r_t2_5 ! cost: 5 flops
120005  s_r(2, 1, 3) = s_r(2, 1, 3) + e_0_2_1*(-1)*s_r_t2_3 ! cost: 5 flops
120006  s_r(2, 1, 3) = s_r(2, 1, 3) + e_1_2_1*(-1)*s_r_t2_4 ! cost: 5 flops
120007  s_r(2, 1, 3) = s_r(2, 1, 3) + e_2_2_1*(-1)*s_r_t2_5 ! cost: 5 flops
120008  s_r(2, 1, 3) = s_r(2, 1, 3) + e_3_2_1*(-1)*s_r_t2_6 ! cost: 5 flops
120009  s_r(3, 1, 3) = s_r(3, 1, 3) + e_0_3_1*(-1)*s_r_t2_3 ! cost: 5 flops
120010  s_r(3, 1, 3) = s_r(3, 1, 3) + e_1_3_1*(-1)*s_r_t2_4 ! cost: 5 flops
120011  s_r(3, 1, 3) = s_r(3, 1, 3) + e_2_3_1*(-1)*s_r_t2_5 ! cost: 5 flops
120012  s_r(3, 1, 3) = s_r(3, 1, 3) + e_3_3_1*(-1)*s_r_t2_6 ! cost: 5 flops
120013  s_r(3, 1, 3) = s_r(3, 1, 3) + e_4_3_1*(-1)*s_r_t2_7 ! cost: 5 flops
120014  s_r(4, 1, 3) = s_r(4, 1, 3) + e_0_4_1*(-1)*s_r_t2_3 ! cost: 5 flops
120015  s_r(4, 1, 3) = s_r(4, 1, 3) + e_1_4_1*(-1)*s_r_t2_4 ! cost: 5 flops
120016  s_r(4, 1, 3) = s_r(4, 1, 3) + e_2_4_1*(-1)*s_r_t2_5 ! cost: 5 flops
120017  s_r(4, 1, 3) = s_r(4, 1, 3) + e_3_4_1*(-1)*s_r_t2_6 ! cost: 5 flops
120018  s_r(4, 1, 3) = s_r(4, 1, 3) + e_4_4_1*(-1)*s_r_t2_7 ! cost: 5 flops
120019  s_r(4, 1, 3) = s_r(4, 1, 3) + e_5_4_1*(-1)*s_r_t2_8 ! cost: 5 flops
120020  s_r(0, 2, 3) = s_r(0, 2, 3) + e_0_0_2*(-1)*s_r_t2_3 ! cost: 5 flops
120021  s_r(0, 2, 3) = s_r(0, 2, 3) + e_1_0_2*(-1)*s_r_t2_4 ! cost: 5 flops
120022  s_r(0, 2, 3) = s_r(0, 2, 3) + e_2_0_2*(-1)*s_r_t2_5 ! cost: 5 flops
120023  s_r(1, 2, 3) = s_r(1, 2, 3) + e_0_1_2*(-1)*s_r_t2_3 ! cost: 5 flops
120024  s_r(1, 2, 3) = s_r(1, 2, 3) + e_1_1_2*(-1)*s_r_t2_4 ! cost: 5 flops
120025  s_r(1, 2, 3) = s_r(1, 2, 3) + e_2_1_2*(-1)*s_r_t2_5 ! cost: 5 flops
120026  s_r(1, 2, 3) = s_r(1, 2, 3) + e_3_1_2*(-1)*s_r_t2_6 ! cost: 5 flops
120027  s_r(2, 2, 3) = s_r(2, 2, 3) + e_0_2_2*(-1)*s_r_t2_3 ! cost: 5 flops
120028  s_r(2, 2, 3) = s_r(2, 2, 3) + e_1_2_2*(-1)*s_r_t2_4 ! cost: 5 flops
120029  s_r(2, 2, 3) = s_r(2, 2, 3) + e_2_2_2*(-1)*s_r_t2_5 ! cost: 5 flops
120030  s_r(2, 2, 3) = s_r(2, 2, 3) + e_3_2_2*(-1)*s_r_t2_6 ! cost: 5 flops
120031  s_r(2, 2, 3) = s_r(2, 2, 3) + e_4_2_2*(-1)*s_r_t2_7 ! cost: 5 flops
120032  s_r(3, 2, 3) = s_r(3, 2, 3) + e_0_3_2*(-1)*s_r_t2_3 ! cost: 5 flops
120033  s_r(3, 2, 3) = s_r(3, 2, 3) + e_1_3_2*(-1)*s_r_t2_4 ! cost: 5 flops
120034  s_r(3, 2, 3) = s_r(3, 2, 3) + e_2_3_2*(-1)*s_r_t2_5 ! cost: 5 flops
120035  s_r(3, 2, 3) = s_r(3, 2, 3) + e_3_3_2*(-1)*s_r_t2_6 ! cost: 5 flops
120036  s_r(3, 2, 3) = s_r(3, 2, 3) + e_4_3_2*(-1)*s_r_t2_7 ! cost: 5 flops
120037  s_r(3, 2, 3) = s_r(3, 2, 3) + e_5_3_2*(-1)*s_r_t2_8 ! cost: 5 flops
120038  s_r(4, 2, 3) = s_r(4, 2, 3) + e_0_4_2*(-1)*s_r_t2_3 ! cost: 5 flops
120039  s_r(4, 2, 3) = s_r(4, 2, 3) + e_1_4_2*(-1)*s_r_t2_4 ! cost: 5 flops
120040  s_r(4, 2, 3) = s_r(4, 2, 3) + e_2_4_2*(-1)*s_r_t2_5 ! cost: 5 flops
120041  s_r(4, 2, 3) = s_r(4, 2, 3) + e_3_4_2*(-1)*s_r_t2_6 ! cost: 5 flops
120042  s_r(4, 2, 3) = s_r(4, 2, 3) + e_4_4_2*(-1)*s_r_t2_7 ! cost: 5 flops
120043  s_r(4, 2, 3) = s_r(4, 2, 3) + e_5_4_2*(-1)*s_r_t2_8 ! cost: 5 flops
120044  s_r(4, 2, 3) = s_r(4, 2, 3) + e_6_4_2*(-1)*s_r_t2_9 ! cost: 5 flops
120045  s_r(0, 3, 3) = s_r(0, 3, 3) + e_0_0_3*(-1)*s_r_t2_3 ! cost: 5 flops
120046  s_r(0, 3, 3) = s_r(0, 3, 3) + e_1_0_3*(-1)*s_r_t2_4 ! cost: 5 flops
120047  s_r(0, 3, 3) = s_r(0, 3, 3) + e_2_0_3*(-1)*s_r_t2_5 ! cost: 5 flops
120048  s_r(0, 3, 3) = s_r(0, 3, 3) + e_3_0_3*(-1)*s_r_t2_6 ! cost: 5 flops
120049  s_r(1, 3, 3) = s_r(1, 3, 3) + e_0_1_3*(-1)*s_r_t2_3 ! cost: 5 flops
120050  s_r(1, 3, 3) = s_r(1, 3, 3) + e_1_1_3*(-1)*s_r_t2_4 ! cost: 5 flops
120051  s_r(1, 3, 3) = s_r(1, 3, 3) + e_2_1_3*(-1)*s_r_t2_5 ! cost: 5 flops
120052  s_r(1, 3, 3) = s_r(1, 3, 3) + e_3_1_3*(-1)*s_r_t2_6 ! cost: 5 flops
120053  s_r(1, 3, 3) = s_r(1, 3, 3) + e_4_1_3*(-1)*s_r_t2_7 ! cost: 5 flops
120054  s_r(2, 3, 3) = s_r(2, 3, 3) + e_0_2_3*(-1)*s_r_t2_3 ! cost: 5 flops
120055  s_r(2, 3, 3) = s_r(2, 3, 3) + e_1_2_3*(-1)*s_r_t2_4 ! cost: 5 flops
120056  s_r(2, 3, 3) = s_r(2, 3, 3) + e_2_2_3*(-1)*s_r_t2_5 ! cost: 5 flops
120057  s_r(2, 3, 3) = s_r(2, 3, 3) + e_3_2_3*(-1)*s_r_t2_6 ! cost: 5 flops
120058  s_r(2, 3, 3) = s_r(2, 3, 3) + e_4_2_3*(-1)*s_r_t2_7 ! cost: 5 flops
120059  s_r(2, 3, 3) = s_r(2, 3, 3) + e_5_2_3*(-1)*s_r_t2_8 ! cost: 5 flops
120060  s_r(3, 3, 3) = s_r(3, 3, 3) + e_0_3_3*(-1)*s_r_t2_3 ! cost: 5 flops
120061  s_r(3, 3, 3) = s_r(3, 3, 3) + e_1_3_3*(-1)*s_r_t2_4 ! cost: 5 flops
120062  s_r(3, 3, 3) = s_r(3, 3, 3) + e_2_3_3*(-1)*s_r_t2_5 ! cost: 5 flops
120063  s_r(3, 3, 3) = s_r(3, 3, 3) + e_3_3_3*(-1)*s_r_t2_6 ! cost: 5 flops
120064  s_r(3, 3, 3) = s_r(3, 3, 3) + e_4_3_3*(-1)*s_r_t2_7 ! cost: 5 flops
120065  s_r(3, 3, 3) = s_r(3, 3, 3) + e_5_3_3*(-1)*s_r_t2_8 ! cost: 5 flops
120066  s_r(3, 3, 3) = s_r(3, 3, 3) + e_6_3_3*(-1)*s_r_t2_9 ! cost: 5 flops
120067  s_r(4, 3, 3) = s_r(4, 3, 3) + e_0_4_3*(-1)*s_r_t2_3 ! cost: 5 flops
120068  s_r(4, 3, 3) = s_r(4, 3, 3) + e_1_4_3*(-1)*s_r_t2_4 ! cost: 5 flops
120069  s_r(4, 3, 3) = s_r(4, 3, 3) + e_2_4_3*(-1)*s_r_t2_5 ! cost: 5 flops
120070  s_r(4, 3, 3) = s_r(4, 3, 3) + e_3_4_3*(-1)*s_r_t2_6 ! cost: 5 flops
120071  s_r(4, 3, 3) = s_r(4, 3, 3) + e_4_4_3*(-1)*s_r_t2_7 ! cost: 5 flops
120072  s_r(4, 3, 3) = s_r(4, 3, 3) + e_5_4_3*(-1)*s_r_t2_8 ! cost: 5 flops
120073  s_r(4, 3, 3) = s_r(4, 3, 3) + e_6_4_3*(-1)*s_r_t2_9 ! cost: 5 flops
120074  s_r(4, 3, 3) = s_r(4, 3, 3) + e_7_4_3*(-1)*s_r_t2_10 ! cost: 5 flops
120075  s_r(0, 4, 3) = s_r(0, 4, 3) + e_0_0_4*(-1)*s_r_t2_3 ! cost: 5 flops
120076  s_r(0, 4, 3) = s_r(0, 4, 3) + e_1_0_4*(-1)*s_r_t2_4 ! cost: 5 flops
120077  s_r(0, 4, 3) = s_r(0, 4, 3) + e_2_0_4*(-1)*s_r_t2_5 ! cost: 5 flops
120078  s_r(0, 4, 3) = s_r(0, 4, 3) + e_3_0_4*(-1)*s_r_t2_6 ! cost: 5 flops
120079  s_r(0, 4, 3) = s_r(0, 4, 3) + e_4_0_4*(-1)*s_r_t2_7 ! cost: 5 flops
120080  s_r(1, 4, 3) = s_r(1, 4, 3) + e_0_1_4*(-1)*s_r_t2_3 ! cost: 5 flops
120081  s_r(1, 4, 3) = s_r(1, 4, 3) + e_1_1_4*(-1)*s_r_t2_4 ! cost: 5 flops
120082  s_r(1, 4, 3) = s_r(1, 4, 3) + e_2_1_4*(-1)*s_r_t2_5 ! cost: 5 flops
120083  s_r(1, 4, 3) = s_r(1, 4, 3) + e_3_1_4*(-1)*s_r_t2_6 ! cost: 5 flops
120084  s_r(1, 4, 3) = s_r(1, 4, 3) + e_4_1_4*(-1)*s_r_t2_7 ! cost: 5 flops
120085  s_r(1, 4, 3) = s_r(1, 4, 3) + e_5_1_4*(-1)*s_r_t2_8 ! cost: 5 flops
120086  s_r(2, 4, 3) = s_r(2, 4, 3) + e_0_2_4*(-1)*s_r_t2_3 ! cost: 5 flops
120087  s_r(2, 4, 3) = s_r(2, 4, 3) + e_1_2_4*(-1)*s_r_t2_4 ! cost: 5 flops
120088  s_r(2, 4, 3) = s_r(2, 4, 3) + e_2_2_4*(-1)*s_r_t2_5 ! cost: 5 flops
120089  s_r(2, 4, 3) = s_r(2, 4, 3) + e_3_2_4*(-1)*s_r_t2_6 ! cost: 5 flops
120090  s_r(2, 4, 3) = s_r(2, 4, 3) + e_4_2_4*(-1)*s_r_t2_7 ! cost: 5 flops
120091  s_r(2, 4, 3) = s_r(2, 4, 3) + e_5_2_4*(-1)*s_r_t2_8 ! cost: 5 flops
120092  s_r(2, 4, 3) = s_r(2, 4, 3) + e_6_2_4*(-1)*s_r_t2_9 ! cost: 5 flops
120093  s_r(3, 4, 3) = s_r(3, 4, 3) + e_0_3_4*(-1)*s_r_t2_3 ! cost: 5 flops
120094  s_r(3, 4, 3) = s_r(3, 4, 3) + e_1_3_4*(-1)*s_r_t2_4 ! cost: 5 flops
120095  s_r(3, 4, 3) = s_r(3, 4, 3) + e_2_3_4*(-1)*s_r_t2_5 ! cost: 5 flops
120096  s_r(3, 4, 3) = s_r(3, 4, 3) + e_3_3_4*(-1)*s_r_t2_6 ! cost: 5 flops
120097  s_r(3, 4, 3) = s_r(3, 4, 3) + e_4_3_4*(-1)*s_r_t2_7 ! cost: 5 flops
120098  s_r(3, 4, 3) = s_r(3, 4, 3) + e_5_3_4*(-1)*s_r_t2_8 ! cost: 5 flops
120099  s_r(3, 4, 3) = s_r(3, 4, 3) + e_6_3_4*(-1)*s_r_t2_9 ! cost: 5 flops
120100  s_r(3, 4, 3) = s_r(3, 4, 3) + e_7_3_4*(-1)*s_r_t2_10 ! cost: 5 flops
120101  s_r(4, 4, 3) = s_r(4, 4, 3) + e_0_4_4*(-1)*s_r_t2_3 ! cost: 5 flops
120102  s_r(4, 4, 3) = s_r(4, 4, 3) + e_1_4_4*(-1)*s_r_t2_4 ! cost: 5 flops
120103  s_r(4, 4, 3) = s_r(4, 4, 3) + e_2_4_4*(-1)*s_r_t2_5 ! cost: 5 flops
120104  s_r(4, 4, 3) = s_r(4, 4, 3) + e_3_4_4*(-1)*s_r_t2_6 ! cost: 5 flops
120105  s_r(4, 4, 3) = s_r(4, 4, 3) + e_4_4_4*(-1)*s_r_t2_7 ! cost: 5 flops
120106  s_r(4, 4, 3) = s_r(4, 4, 3) + e_5_4_4*(-1)*s_r_t2_8 ! cost: 5 flops
120107  s_r(4, 4, 3) = s_r(4, 4, 3) + e_6_4_4*(-1)*s_r_t2_9 ! cost: 5 flops
120108  s_r(4, 4, 3) = s_r(4, 4, 3) + e_7_4_4*(-1)*s_r_t2_10 ! cost: 5 flops
120109  s_r(4, 4, 3) = s_r(4, 4, 3) + e_8_4_4*(-1)*s_r_t2_11 ! cost: 5 flops
120110  s_r(0, 0, 4) = s_r(0, 0, 4) + e_0_0_0*(1)*s_r_t2_4 ! cost: 5 flops
120111  s_r(1, 0, 4) = s_r(1, 0, 4) + e_0_1_0*(1)*s_r_t2_4 ! cost: 5 flops
120112  s_r(1, 0, 4) = s_r(1, 0, 4) + e_1_1_0*(1)*s_r_t2_5 ! cost: 5 flops
120113  s_r(2, 0, 4) = s_r(2, 0, 4) + e_0_2_0*(1)*s_r_t2_4 ! cost: 5 flops
120114  s_r(2, 0, 4) = s_r(2, 0, 4) + e_1_2_0*(1)*s_r_t2_5 ! cost: 5 flops
120115  s_r(2, 0, 4) = s_r(2, 0, 4) + e_2_2_0*(1)*s_r_t2_6 ! cost: 5 flops
120116  s_r(3, 0, 4) = s_r(3, 0, 4) + e_0_3_0*(1)*s_r_t2_4 ! cost: 5 flops
120117  s_r(3, 0, 4) = s_r(3, 0, 4) + e_1_3_0*(1)*s_r_t2_5 ! cost: 5 flops
120118  s_r(3, 0, 4) = s_r(3, 0, 4) + e_2_3_0*(1)*s_r_t2_6 ! cost: 5 flops
120119  s_r(3, 0, 4) = s_r(3, 0, 4) + e_3_3_0*(1)*s_r_t2_7 ! cost: 5 flops
120120  s_r(4, 0, 4) = s_r(4, 0, 4) + e_0_4_0*(1)*s_r_t2_4 ! cost: 5 flops
120121  s_r(4, 0, 4) = s_r(4, 0, 4) + e_1_4_0*(1)*s_r_t2_5 ! cost: 5 flops
120122  s_r(4, 0, 4) = s_r(4, 0, 4) + e_2_4_0*(1)*s_r_t2_6 ! cost: 5 flops
120123  s_r(4, 0, 4) = s_r(4, 0, 4) + e_3_4_0*(1)*s_r_t2_7 ! cost: 5 flops
120124  s_r(4, 0, 4) = s_r(4, 0, 4) + e_4_4_0*(1)*s_r_t2_8 ! cost: 5 flops
120125  s_r(0, 1, 4) = s_r(0, 1, 4) + e_0_0_1*(1)*s_r_t2_4 ! cost: 5 flops
120126  s_r(0, 1, 4) = s_r(0, 1, 4) + e_1_0_1*(1)*s_r_t2_5 ! cost: 5 flops
120127  s_r(1, 1, 4) = s_r(1, 1, 4) + e_0_1_1*(1)*s_r_t2_4 ! cost: 5 flops
120128  s_r(1, 1, 4) = s_r(1, 1, 4) + e_1_1_1*(1)*s_r_t2_5 ! cost: 5 flops
120129  s_r(1, 1, 4) = s_r(1, 1, 4) + e_2_1_1*(1)*s_r_t2_6 ! cost: 5 flops
120130  s_r(2, 1, 4) = s_r(2, 1, 4) + e_0_2_1*(1)*s_r_t2_4 ! cost: 5 flops
120131  s_r(2, 1, 4) = s_r(2, 1, 4) + e_1_2_1*(1)*s_r_t2_5 ! cost: 5 flops
120132  s_r(2, 1, 4) = s_r(2, 1, 4) + e_2_2_1*(1)*s_r_t2_6 ! cost: 5 flops
120133  s_r(2, 1, 4) = s_r(2, 1, 4) + e_3_2_1*(1)*s_r_t2_7 ! cost: 5 flops
120134  s_r(3, 1, 4) = s_r(3, 1, 4) + e_0_3_1*(1)*s_r_t2_4 ! cost: 5 flops
120135  s_r(3, 1, 4) = s_r(3, 1, 4) + e_1_3_1*(1)*s_r_t2_5 ! cost: 5 flops
120136  s_r(3, 1, 4) = s_r(3, 1, 4) + e_2_3_1*(1)*s_r_t2_6 ! cost: 5 flops
120137  s_r(3, 1, 4) = s_r(3, 1, 4) + e_3_3_1*(1)*s_r_t2_7 ! cost: 5 flops
120138  s_r(3, 1, 4) = s_r(3, 1, 4) + e_4_3_1*(1)*s_r_t2_8 ! cost: 5 flops
120139  s_r(4, 1, 4) = s_r(4, 1, 4) + e_0_4_1*(1)*s_r_t2_4 ! cost: 5 flops
120140  s_r(4, 1, 4) = s_r(4, 1, 4) + e_1_4_1*(1)*s_r_t2_5 ! cost: 5 flops
120141  s_r(4, 1, 4) = s_r(4, 1, 4) + e_2_4_1*(1)*s_r_t2_6 ! cost: 5 flops
120142  s_r(4, 1, 4) = s_r(4, 1, 4) + e_3_4_1*(1)*s_r_t2_7 ! cost: 5 flops
120143  s_r(4, 1, 4) = s_r(4, 1, 4) + e_4_4_1*(1)*s_r_t2_8 ! cost: 5 flops
120144  s_r(4, 1, 4) = s_r(4, 1, 4) + e_5_4_1*(1)*s_r_t2_9 ! cost: 5 flops
120145  s_r(0, 2, 4) = s_r(0, 2, 4) + e_0_0_2*(1)*s_r_t2_4 ! cost: 5 flops
120146  s_r(0, 2, 4) = s_r(0, 2, 4) + e_1_0_2*(1)*s_r_t2_5 ! cost: 5 flops
120147  s_r(0, 2, 4) = s_r(0, 2, 4) + e_2_0_2*(1)*s_r_t2_6 ! cost: 5 flops
120148  s_r(1, 2, 4) = s_r(1, 2, 4) + e_0_1_2*(1)*s_r_t2_4 ! cost: 5 flops
120149  s_r(1, 2, 4) = s_r(1, 2, 4) + e_1_1_2*(1)*s_r_t2_5 ! cost: 5 flops
120150  s_r(1, 2, 4) = s_r(1, 2, 4) + e_2_1_2*(1)*s_r_t2_6 ! cost: 5 flops
120151  s_r(1, 2, 4) = s_r(1, 2, 4) + e_3_1_2*(1)*s_r_t2_7 ! cost: 5 flops
120152  s_r(2, 2, 4) = s_r(2, 2, 4) + e_0_2_2*(1)*s_r_t2_4 ! cost: 5 flops
120153  s_r(2, 2, 4) = s_r(2, 2, 4) + e_1_2_2*(1)*s_r_t2_5 ! cost: 5 flops
120154  s_r(2, 2, 4) = s_r(2, 2, 4) + e_2_2_2*(1)*s_r_t2_6 ! cost: 5 flops
120155  s_r(2, 2, 4) = s_r(2, 2, 4) + e_3_2_2*(1)*s_r_t2_7 ! cost: 5 flops
120156  s_r(2, 2, 4) = s_r(2, 2, 4) + e_4_2_2*(1)*s_r_t2_8 ! cost: 5 flops
120157  s_r(3, 2, 4) = s_r(3, 2, 4) + e_0_3_2*(1)*s_r_t2_4 ! cost: 5 flops
120158  s_r(3, 2, 4) = s_r(3, 2, 4) + e_1_3_2*(1)*s_r_t2_5 ! cost: 5 flops
120159  s_r(3, 2, 4) = s_r(3, 2, 4) + e_2_3_2*(1)*s_r_t2_6 ! cost: 5 flops
120160  s_r(3, 2, 4) = s_r(3, 2, 4) + e_3_3_2*(1)*s_r_t2_7 ! cost: 5 flops
120161  s_r(3, 2, 4) = s_r(3, 2, 4) + e_4_3_2*(1)*s_r_t2_8 ! cost: 5 flops
120162  s_r(3, 2, 4) = s_r(3, 2, 4) + e_5_3_2*(1)*s_r_t2_9 ! cost: 5 flops
120163  s_r(4, 2, 4) = s_r(4, 2, 4) + e_0_4_2*(1)*s_r_t2_4 ! cost: 5 flops
120164  s_r(4, 2, 4) = s_r(4, 2, 4) + e_1_4_2*(1)*s_r_t2_5 ! cost: 5 flops
120165  s_r(4, 2, 4) = s_r(4, 2, 4) + e_2_4_2*(1)*s_r_t2_6 ! cost: 5 flops
120166  s_r(4, 2, 4) = s_r(4, 2, 4) + e_3_4_2*(1)*s_r_t2_7 ! cost: 5 flops
120167  s_r(4, 2, 4) = s_r(4, 2, 4) + e_4_4_2*(1)*s_r_t2_8 ! cost: 5 flops
120168  s_r(4, 2, 4) = s_r(4, 2, 4) + e_5_4_2*(1)*s_r_t2_9 ! cost: 5 flops
120169  s_r(4, 2, 4) = s_r(4, 2, 4) + e_6_4_2*(1)*s_r_t2_10 ! cost: 5 flops
120170  s_r(0, 3, 4) = s_r(0, 3, 4) + e_0_0_3*(1)*s_r_t2_4 ! cost: 5 flops
120171  s_r(0, 3, 4) = s_r(0, 3, 4) + e_1_0_3*(1)*s_r_t2_5 ! cost: 5 flops
120172  s_r(0, 3, 4) = s_r(0, 3, 4) + e_2_0_3*(1)*s_r_t2_6 ! cost: 5 flops
120173  s_r(0, 3, 4) = s_r(0, 3, 4) + e_3_0_3*(1)*s_r_t2_7 ! cost: 5 flops
120174  s_r(1, 3, 4) = s_r(1, 3, 4) + e_0_1_3*(1)*s_r_t2_4 ! cost: 5 flops
120175  s_r(1, 3, 4) = s_r(1, 3, 4) + e_1_1_3*(1)*s_r_t2_5 ! cost: 5 flops
120176  s_r(1, 3, 4) = s_r(1, 3, 4) + e_2_1_3*(1)*s_r_t2_6 ! cost: 5 flops
120177  s_r(1, 3, 4) = s_r(1, 3, 4) + e_3_1_3*(1)*s_r_t2_7 ! cost: 5 flops
120178  s_r(1, 3, 4) = s_r(1, 3, 4) + e_4_1_3*(1)*s_r_t2_8 ! cost: 5 flops
120179  s_r(2, 3, 4) = s_r(2, 3, 4) + e_0_2_3*(1)*s_r_t2_4 ! cost: 5 flops
120180  s_r(2, 3, 4) = s_r(2, 3, 4) + e_1_2_3*(1)*s_r_t2_5 ! cost: 5 flops
120181  s_r(2, 3, 4) = s_r(2, 3, 4) + e_2_2_3*(1)*s_r_t2_6 ! cost: 5 flops
120182  s_r(2, 3, 4) = s_r(2, 3, 4) + e_3_2_3*(1)*s_r_t2_7 ! cost: 5 flops
120183  s_r(2, 3, 4) = s_r(2, 3, 4) + e_4_2_3*(1)*s_r_t2_8 ! cost: 5 flops
120184  s_r(2, 3, 4) = s_r(2, 3, 4) + e_5_2_3*(1)*s_r_t2_9 ! cost: 5 flops
120185  s_r(3, 3, 4) = s_r(3, 3, 4) + e_0_3_3*(1)*s_r_t2_4 ! cost: 5 flops
120186  s_r(3, 3, 4) = s_r(3, 3, 4) + e_1_3_3*(1)*s_r_t2_5 ! cost: 5 flops
120187  s_r(3, 3, 4) = s_r(3, 3, 4) + e_2_3_3*(1)*s_r_t2_6 ! cost: 5 flops
120188  s_r(3, 3, 4) = s_r(3, 3, 4) + e_3_3_3*(1)*s_r_t2_7 ! cost: 5 flops
120189  s_r(3, 3, 4) = s_r(3, 3, 4) + e_4_3_3*(1)*s_r_t2_8 ! cost: 5 flops
120190  s_r(3, 3, 4) = s_r(3, 3, 4) + e_5_3_3*(1)*s_r_t2_9 ! cost: 5 flops
120191  s_r(3, 3, 4) = s_r(3, 3, 4) + e_6_3_3*(1)*s_r_t2_10 ! cost: 5 flops
120192  s_r(4, 3, 4) = s_r(4, 3, 4) + e_0_4_3*(1)*s_r_t2_4 ! cost: 5 flops
120193  s_r(4, 3, 4) = s_r(4, 3, 4) + e_1_4_3*(1)*s_r_t2_5 ! cost: 5 flops
120194  s_r(4, 3, 4) = s_r(4, 3, 4) + e_2_4_3*(1)*s_r_t2_6 ! cost: 5 flops
120195  s_r(4, 3, 4) = s_r(4, 3, 4) + e_3_4_3*(1)*s_r_t2_7 ! cost: 5 flops
120196  s_r(4, 3, 4) = s_r(4, 3, 4) + e_4_4_3*(1)*s_r_t2_8 ! cost: 5 flops
120197  s_r(4, 3, 4) = s_r(4, 3, 4) + e_5_4_3*(1)*s_r_t2_9 ! cost: 5 flops
120198  s_r(4, 3, 4) = s_r(4, 3, 4) + e_6_4_3*(1)*s_r_t2_10 ! cost: 5 flops
120199  s_r(4, 3, 4) = s_r(4, 3, 4) + e_7_4_3*(1)*s_r_t2_11 ! cost: 5 flops
120200  s_r(0, 4, 4) = s_r(0, 4, 4) + e_0_0_4*(1)*s_r_t2_4 ! cost: 5 flops
120201  s_r(0, 4, 4) = s_r(0, 4, 4) + e_1_0_4*(1)*s_r_t2_5 ! cost: 5 flops
120202  s_r(0, 4, 4) = s_r(0, 4, 4) + e_2_0_4*(1)*s_r_t2_6 ! cost: 5 flops
120203  s_r(0, 4, 4) = s_r(0, 4, 4) + e_3_0_4*(1)*s_r_t2_7 ! cost: 5 flops
120204  s_r(0, 4, 4) = s_r(0, 4, 4) + e_4_0_4*(1)*s_r_t2_8 ! cost: 5 flops
120205  s_r(1, 4, 4) = s_r(1, 4, 4) + e_0_1_4*(1)*s_r_t2_4 ! cost: 5 flops
120206  s_r(1, 4, 4) = s_r(1, 4, 4) + e_1_1_4*(1)*s_r_t2_5 ! cost: 5 flops
120207  s_r(1, 4, 4) = s_r(1, 4, 4) + e_2_1_4*(1)*s_r_t2_6 ! cost: 5 flops
120208  s_r(1, 4, 4) = s_r(1, 4, 4) + e_3_1_4*(1)*s_r_t2_7 ! cost: 5 flops
120209  s_r(1, 4, 4) = s_r(1, 4, 4) + e_4_1_4*(1)*s_r_t2_8 ! cost: 5 flops
120210  s_r(1, 4, 4) = s_r(1, 4, 4) + e_5_1_4*(1)*s_r_t2_9 ! cost: 5 flops
120211  s_r(2, 4, 4) = s_r(2, 4, 4) + e_0_2_4*(1)*s_r_t2_4 ! cost: 5 flops
120212  s_r(2, 4, 4) = s_r(2, 4, 4) + e_1_2_4*(1)*s_r_t2_5 ! cost: 5 flops
120213  s_r(2, 4, 4) = s_r(2, 4, 4) + e_2_2_4*(1)*s_r_t2_6 ! cost: 5 flops
120214  s_r(2, 4, 4) = s_r(2, 4, 4) + e_3_2_4*(1)*s_r_t2_7 ! cost: 5 flops
120215  s_r(2, 4, 4) = s_r(2, 4, 4) + e_4_2_4*(1)*s_r_t2_8 ! cost: 5 flops
120216  s_r(2, 4, 4) = s_r(2, 4, 4) + e_5_2_4*(1)*s_r_t2_9 ! cost: 5 flops
120217  s_r(2, 4, 4) = s_r(2, 4, 4) + e_6_2_4*(1)*s_r_t2_10 ! cost: 5 flops
120218  s_r(3, 4, 4) = s_r(3, 4, 4) + e_0_3_4*(1)*s_r_t2_4 ! cost: 5 flops
120219  s_r(3, 4, 4) = s_r(3, 4, 4) + e_1_3_4*(1)*s_r_t2_5 ! cost: 5 flops
120220  s_r(3, 4, 4) = s_r(3, 4, 4) + e_2_3_4*(1)*s_r_t2_6 ! cost: 5 flops
120221  s_r(3, 4, 4) = s_r(3, 4, 4) + e_3_3_4*(1)*s_r_t2_7 ! cost: 5 flops
120222  s_r(3, 4, 4) = s_r(3, 4, 4) + e_4_3_4*(1)*s_r_t2_8 ! cost: 5 flops
120223  s_r(3, 4, 4) = s_r(3, 4, 4) + e_5_3_4*(1)*s_r_t2_9 ! cost: 5 flops
120224  s_r(3, 4, 4) = s_r(3, 4, 4) + e_6_3_4*(1)*s_r_t2_10 ! cost: 5 flops
120225  s_r(3, 4, 4) = s_r(3, 4, 4) + e_7_3_4*(1)*s_r_t2_11 ! cost: 5 flops
120226  s_r(4, 4, 4) = s_r(4, 4, 4) + e_0_4_4*(1)*s_r_t2_4 ! cost: 5 flops
120227  s_r(4, 4, 4) = s_r(4, 4, 4) + e_1_4_4*(1)*s_r_t2_5 ! cost: 5 flops
120228  s_r(4, 4, 4) = s_r(4, 4, 4) + e_2_4_4*(1)*s_r_t2_6 ! cost: 5 flops
120229  s_r(4, 4, 4) = s_r(4, 4, 4) + e_3_4_4*(1)*s_r_t2_7 ! cost: 5 flops
120230  s_r(4, 4, 4) = s_r(4, 4, 4) + e_4_4_4*(1)*s_r_t2_8 ! cost: 5 flops
120231  s_r(4, 4, 4) = s_r(4, 4, 4) + e_5_4_4*(1)*s_r_t2_9 ! cost: 5 flops
120232  s_r(4, 4, 4) = s_r(4, 4, 4) + e_6_4_4*(1)*s_r_t2_10 ! cost: 5 flops
120233  s_r(4, 4, 4) = s_r(4, 4, 4) + e_7_4_4*(1)*s_r_t2_11 ! cost: 5 flops
120234  s_r(4, 4, 4) = s_r(4, 4, 4) + e_8_4_4*(1)*s_r_t2_12 ! cost: 5 flops
120235  r1 = r1 + dr
120236  END DO
120237 
120238  s_r = s_r*pi**(-0.5_dp)*((zeta + zetb)/(zeta*zetb))**(-0.5_dp)
120239  END SUBROUTINE
120240 
120241 ! **************************************************************************************************
120242 !> \brief As pgf_sum_3c_1d but 3d sum required for non-orthorhombic cells
120243 !> \param S_G ...
120244 !> \param la_max ...
120245 !> \param lb_max ...
120246 !> \param lc_max ...
120247 !> \param RA ...
120248 !> \param RB ...
120249 !> \param RC ...
120250 !> \param zeta ...
120251 !> \param zetb ...
120252 !> \param zetc ...
120253 !> \param a_mm ...
120254 !> \param hmat ...
120255 !> \param h_inv ...
120256 !> \param vol ...
120257 !> \param G_bounds_1 ...
120258 !> \param R_bounds_2 ...
120259 !> \param R_bounds_3 ...
120260 !> \param G_rads_1 ...
120261 !> \param R_rads_2 ...
120262 !> \param R_rads_3 ...
120263 !> \param method ...
120264 !> \param method_out ...
120265 !> \param order ...
120266 ! **************************************************************************************************
120267  SUBROUTINE pgf_sum_3c_3d(S_G, la_max, lb_max, lc_max, RA, RB, RC, &
120268  zeta, zetb, zetc, a_mm, hmat, h_inv, vol, &
120269  G_bounds_1, R_bounds_2, R_bounds_3, &
120270  G_rads_1, R_rads_2, R_rads_3, &
120271  method, method_out, order)
120272  REAL(kind=dp), DIMENSION(:, :, :), INTENT(OUT) :: s_g
120273  INTEGER, INTENT(IN) :: la_max, lb_max, lc_max
120274  REAL(kind=dp), DIMENSION(3), INTENT(IN) :: ra, rb, rc
120275  REAL(kind=dp), INTENT(IN) :: zeta, zetb, zetc, a_mm
120276  REAL(kind=dp), DIMENSION(3, 3), INTENT(IN) :: hmat, h_inv
120277  REAL(kind=dp), INTENT(IN) :: vol
120278  REAL(kind=dp), DIMENSION(3, 3), INTENT(IN) :: g_bounds_1, r_bounds_2
120279  REAL(kind=dp), DIMENSION(2, 3), INTENT(IN) :: r_bounds_3
120280  REAL(kind=dp), DIMENSION(3), INTENT(IN) :: g_rads_1, r_rads_2
120281  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_rads_3
120282  INTEGER, INTENT(IN) :: method
120283  INTEGER, INTENT(OUT), OPTIONAL :: method_out
120284  INTEGER, INTENT(IN), OPTIONAL :: order
120285 
120286  INTEGER :: l_max, m_max, n_max, sum_method, &
120287  sum_order
120288  LOGICAL :: assert_stm
120289  REAL(kind=dp) :: alpha, beta, g_rad, gamma, r_rad
120290  REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :, :) :: s_g_tmp
120291  REAL(kind=dp), DIMENSION(3) :: g_bound, r1, r2, r_bound
120292  REAL(kind=dp), DIMENSION(3, 3) :: ht
120293 
120294  IF (PRESENT(order)) THEN
120295  sum_order = order
120296  ELSE
120297  sum_order = 0
120298  END IF
120299 
120300  sum_method = method
120301 
120302  alpha = 0.25_dp/zeta
120303  beta = 0.25_dp/zetb
120304  gamma = 0.25_dp/zetc + a_mm
120305 
120306  l_max = la_max
120307  m_max = lb_max
120308  n_max = lc_max
120309 
120310  r1 = rb - ra
120311  r2 = rc - rb
120312 
120313  ht = twopi*transpose(h_inv)
120314 
120315  SELECT CASE (sum_method)
120316  CASE (1) ! sum_G sum_G' C(G) C(G,G') C(G')
120317 
120318  IF (sum_order .EQ. 0) THEN
120319  sum_order = maxloc(g_bounds_1(:, 1), dim=1)
120320  assert_stm = minloc(g_bounds_1(:, 1), dim=1) == &
120321  minloc(g_bounds_1(:, 2), dim=1) .AND. &
120322  minloc(g_bounds_1(:, 1), dim=1) == &
120323  minloc(g_bounds_1(:, 3), dim=1)
120324  cpassert(assert_stm)
120325  END IF
120326 
120327  CALL pgf_sum_3c_gspace_3d(s_g, l_max, m_max, n_max, r1, r2, alpha, beta, gamma, ht, vol, g_bounds_1, g_rads_1, sum_order)
120328 
120329  CASE (2) ! sum_G sum_R C(G) C(R)
120330  IF (sum_order .EQ. 0) THEN
120331  sum_order = minloc(g_bounds_1(:, 1), dim=1)
120332  assert_stm = minloc(g_bounds_1(:, 1), dim=1) == &
120333  minloc(g_bounds_1(:, 2), dim=1) .AND. &
120334  minloc(g_bounds_1(:, 1), dim=1) == &
120335  minloc(g_bounds_1(:, 3), dim=1)
120336  cpassert(assert_stm)
120337  END IF
120338  r_rad = r_rads_2(sum_order)
120339  g_rad = g_rads_1(sum_order)
120340  r_bound = r_bounds_2(sum_order, :)
120341  g_bound = g_bounds_1(sum_order, :)
120342  SELECT CASE (sum_order)
120343  CASE (1)
120344  ALLOCATE (s_g_tmp(ncoset(l_max), ncoset(m_max), ncoset(n_max)))
120345  CALL pgf_sum_product_3c_gspace_3d(s_g_tmp, l_max, m_max, n_max, r1, r2, alpha, beta, gamma, hmat, h_inv, vol, &
120346  r_bound, g_bound, r_rad, g_rad)
120347  s_g = reshape(s_g_tmp, shape(s_g), order=[1, 2, 3])
120348  CASE (2)
120349  ALLOCATE (s_g_tmp(ncoset(m_max), ncoset(l_max), ncoset(n_max)))
120350  CALL pgf_sum_product_3c_gspace_3d(s_g_tmp, m_max, l_max, n_max, -r1, r1 + r2, beta, alpha, gamma, hmat, h_inv, vol, &
120351  r_bound, g_bound, r_rad, g_rad)
120352  s_g = reshape(s_g_tmp, shape(s_g), order=[2, 1, 3])
120353  CASE (3)
120354  ALLOCATE (s_g_tmp(ncoset(n_max), ncoset(m_max), ncoset(l_max)))
120355  CALL pgf_sum_product_3c_gspace_3d(s_g_tmp, n_max, m_max, l_max, -r2, -r1, gamma, beta, alpha, hmat, h_inv, vol, &
120356  r_bound, g_bound, r_rad, g_rad)
120357  s_g = reshape(s_g_tmp, shape(s_g), order=[3, 2, 1])
120358  END SELECT
120359  CASE (3) ! sum_R sum_R' H(R, R')
120360  CALL pgf_sum_3c_rspace_3d(s_g, l_max, m_max, n_max, ra, rb, rc, zeta, zetb, zetc, a_mm, hmat, h_inv, &
120361  r_bounds_3, r_rads_3)
120362  s_g = s_g*pi**(-1.5_dp)*((zeta + zetb)/(zeta*zetb))**(-1.5_dp)
120363  END SELECT
120364 
120365  IF (PRESENT(method_out)) method_out = sum_method
120366 
120367  END SUBROUTINE pgf_sum_3c_3d
120368 
120369 ! **************************************************************************************************
120370 !> \brief Roughly estimated number of floating point operations
120371 !> \param ns_G1 ...
120372 !> \param ns_G2 ...
120373 !> \param l ...
120374 !> \param m ...
120375 !> \param n ...
120376 !> \return ...
120377 ! **************************************************************************************************
120378  PURE FUNCTION nsum_3c_gspace_3d(ns_G1, ns_G2, l, m, n)
120379  REAL(kind=dp), INTENT(IN) :: ns_g1, ns_g2
120380  INTEGER, INTENT(IN) :: l, m, n
120381  INTEGER(KIND=int_8) :: nsum_3c_gspace_3d
120382 
120383  nsum_3c_gspace_3d = nint(ns_g1*ns_g2*(5*exp_w + ncoset(l)*ncoset(m)*ncoset(n)*4), kind=int_8)
120384 
120385  END FUNCTION
120386 
120387 ! **************************************************************************************************
120388 !> \brief ...
120389 !> \param S_G ...
120390 !> \param l_max ...
120391 !> \param m_max ...
120392 !> \param n_max ...
120393 !> \param R1 ...
120394 !> \param R2 ...
120395 !> \param alpha ...
120396 !> \param beta ...
120397 !> \param gamma ...
120398 !> \param ht ...
120399 !> \param vol ...
120400 !> \param G_c ...
120401 !> \param G_rad ...
120402 !> \param sum_order ...
120403 !> \param coulomb ...
120404 ! **************************************************************************************************
120405  PURE SUBROUTINE pgf_sum_3c_gspace_3d(S_G, l_max, m_max, n_max, R1, R2, alpha, beta, gamma, &
120406  ht, vol, G_c, G_rad, sum_order, coulomb)
120407  REAL(kind=dp), DIMENSION(:, :, :), INTENT(OUT) :: s_g
120408  INTEGER, INTENT(IN) :: l_max, m_max, n_max
120409  REAL(kind=dp), DIMENSION(3), INTENT(IN) :: r1, r2
120410  REAL(kind=dp), INTENT(IN) :: alpha, beta, gamma
120411  REAL(kind=dp), DIMENSION(3, 3), INTENT(IN) :: ht
120412  REAL(kind=dp), INTENT(IN) :: vol
120413  REAL(kind=dp), DIMENSION(3, 3), INTENT(IN) :: g_c
120414  REAL(kind=dp), DIMENSION(3), INTENT(IN) :: g_rad
120415  INTEGER, INTENT(IN) :: sum_order
120416  LOGICAL, INTENT(IN), OPTIONAL :: coulomb
120417 
120418  INTEGER, DIMENSION(3) :: g1c, g2c, g3c
120419  INTEGER :: g1x, g1y, g1z, g2x, g2y, g2z, g3x, g3y, &
120420  g3z
120421  COMPLEX(KIND=dp), DIMENSION(ncoset(l_max), ncoset( & m_max), ncoset(n_max)) :: s_g_c
120422  LOGICAL :: use_coulomb
120423  REAL(kind=dp) :: g1_sq, g2_sq, g3_sq
120424  REAL(kind=dp), DIMENSION(3) :: g1, g1_x, g1_y, g1_z, g2, g2_x, g2_y, &
120425  g2_z, g3, g3_x, g3_y, g3_z, g_rads_sq
120426 
120427  s_g_c(:, :, :) = 0.0_dp
120428 
120429  g1c = floor(g_c(1, :))
120430  g2c = floor(g_c(2, :))
120431  g3c = floor(g_c(3, :))
120432 
120433  ! we can not precompute exponentials for general cell
120434  ! Perform double G sum
120435  g_rads_sq = g_rad**2
120436 
120437  IF (PRESENT(coulomb)) THEN
120438  use_coulomb = coulomb
120439  ELSE
120440  use_coulomb = .false.
120441  END IF
120442 
120443  SELECT CASE (sum_order)
120444  CASE (1)
120445  DO g2x = -g2c(1), g2c(1)
120446  g2_x = ht(:, 1)*g2x
120447  DO g2y = -g2c(2), g2c(2)
120448  g2_y = ht(:, 2)*g2y
120449  DO g2z = -g2c(3), g2c(3)
120450  g2_z = ht(:, 3)*g2z
120451  g2 = g2_x + g2_y + g2_z
120452  g2_sq = g2(1)**2 + g2(2)**2 + g2(3)**2
120453  IF (g2_sq .GT. g_rads_sq(2)) cycle
120454  DO g3x = -g3c(1), g3c(1)
120455  g3_x = ht(:, 1)*g3x
120456  DO g3y = -g3c(2), g3c(2)
120457  g3_y = ht(:, 2)*g3y
120458  DO g3z = -g3c(3), g3c(3)
120459  g3_z = ht(:, 3)*g3z
120460  g3 = g3_x + g3_y + g3_z
120461  g3_sq = g3(1)**2 + g3(2)**2 + g3(3)**2
120462  IF (g3_sq .GT. g_rads_sq(3)) cycle
120463  g1 = g3 - g2
120464  g1_sq = g1(1)**2 + g1(2)**2 + g1(3)**2
120465  IF (g1_sq .GT. g_rads_sq(1)) cycle
120466  IF (use_coulomb) THEN
120467  IF (g3x == 0 .AND. g3y == 0 .AND. g3z == 0) cycle
120468  END IF
120469  CALL pgf_product_3c_gspace_3d(s_g_c, g1, g1_sq, g2, g2_sq, g3, g3_sq, l_max, m_max, n_max, &
120470  alpha, beta, gamma, r1, r2, use_coulomb)
120471  END DO
120472  END DO
120473  END DO
120474  END DO
120475  END DO
120476  END DO
120477  CASE (2)
120478  DO g1x = -g1c(1), g1c(1)
120479  g1_x = ht(:, 1)*g1x
120480  DO g1y = -g1c(2), g1c(2)
120481  g1_y = ht(:, 2)*g1y
120482  DO g1z = -g1c(3), g1c(3)
120483  g1_z = ht(:, 3)*g1z
120484  g1 = g1_x + g1_y + g1_z
120485  g1_sq = g1(1)**2 + g1(2)**2 + g1(3)**2
120486  IF (g1_sq .GT. g_rads_sq(1)) cycle
120487  DO g3x = -g3c(1), g3c(1)
120488  g3_x = ht(:, 1)*g3x
120489  DO g3y = -g3c(2), g3c(2)
120490  g3_y = ht(:, 2)*g3y
120491  DO g3z = -g3c(3), g3c(3)
120492  g3_z = ht(:, 3)*g3z
120493  g3 = g3_x + g3_y + g3_z
120494  g3_sq = g3(1)**2 + g3(2)**2 + g3(3)**2
120495  IF (g3_sq .GT. g_rads_sq(3)) cycle
120496  g2 = g3 - g1
120497  g2_sq = g2(1)**2 + g2(2)**2 + g2(3)**2
120498  IF (g2_sq .GT. g_rads_sq(2)) cycle
120499  IF (use_coulomb) THEN
120500  IF (g3x == 0 .AND. g3y == 0 .AND. g3z == 0) cycle
120501  END IF
120502  CALL pgf_product_3c_gspace_3d(s_g_c, g1, g1_sq, g2, g2_sq, g3, g3_sq, l_max, m_max, n_max, &
120503  alpha, beta, gamma, r1, r2, use_coulomb)
120504  END DO
120505  END DO
120506  END DO
120507  END DO
120508  END DO
120509  END DO
120510  CASE (3)
120511  DO g1x = -g1c(1), g1c(1)
120512  g1_x = ht(:, 1)*g1x
120513  DO g1y = -g1c(2), g1c(2)
120514  g1_y = ht(:, 2)*g1y
120515  DO g1z = -g1c(3), g1c(3)
120516  g1_z = ht(:, 3)*g1z
120517  g1 = g1_x + g1_y + g1_z
120518  g1_sq = g1(1)**2 + g1(2)**2 + g1(3)**2
120519  IF (g1_sq .GT. g_rads_sq(1)) cycle
120520  DO g2x = -g2c(1), g2c(1)
120521  g2_x = ht(:, 1)*g2x
120522  DO g2y = -g2c(2), g2c(2)
120523  g2_y = ht(:, 2)*g2y
120524  DO g2z = -g2c(3), g2c(3)
120525  g2_z = ht(:, 3)*g2z
120526  g2 = g2_x + g2_y + g2_z
120527  g2_sq = g2(1)**2 + g2(2)**2 + g2(3)**2
120528  IF (g2_sq .GT. g_rads_sq(2)) cycle
120529  g3 = g1 + g2
120530  g3_sq = g3(1)**2 + g3(2)**2 + g3(3)**2
120531  IF (g3_sq .GT. g_rads_sq(3)) cycle
120532  IF (use_coulomb) THEN
120533  IF (g1x + g2x == 0 .AND. g1y + g2y == 0 .AND. g1z + g2z == 0) cycle
120534  END IF
120535  CALL pgf_product_3c_gspace_3d(s_g_c, g1, g1_sq, g2, g2_sq, g3, g3_sq, l_max, m_max, n_max, &
120536  alpha, beta, gamma, r1, r2, use_coulomb)
120537  END DO
120538  END DO
120539  END DO
120540  END DO
120541  END DO
120542  END DO
120543  END SELECT
120544  s_g = real(s_g_c, kind=dp)/vol**2
120545 
120546  END SUBROUTINE
120547 
120548 ! **************************************************************************************************
120549 !> \brief ...
120550 !> \param S_G ...
120551 !> \param G1 ...
120552 !> \param G1_sq ...
120553 !> \param G2 ...
120554 !> \param G2_sq ...
120555 !> \param G3 ...
120556 !> \param G3_sq ...
120557 !> \param l_max ...
120558 !> \param m_max ...
120559 !> \param n_max ...
120560 !> \param alpha ...
120561 !> \param beta ...
120562 !> \param gamma ...
120563 !> \param R1 ...
120564 !> \param R2 ...
120565 !> \param coulomb ...
120566 ! **************************************************************************************************
120567  PURE SUBROUTINE pgf_product_3c_gspace_3d(S_G, G1, G1_sq, G2, G2_sq, G3, G3_sq, l_max, m_max, n_max, &
120568  alpha, beta, gamma, R1, R2, coulomb)
120569 
120570  COMPLEX(KIND=dp), DIMENSION(:, :, :), INTENT(OUT) :: s_g
120571  REAL(kind=dp), DIMENSION(3), INTENT(IN) :: g1
120572  REAL(kind=dp), INTENT(IN) :: g1_sq
120573  REAL(kind=dp), DIMENSION(3), INTENT(IN) :: g2
120574  REAL(kind=dp), INTENT(IN) :: g2_sq
120575  REAL(kind=dp), DIMENSION(3), INTENT(IN) :: g3
120576  REAL(kind=dp), INTENT(IN) :: g3_sq
120577  INTEGER, INTENT(IN) :: l_max, m_max, n_max
120578  REAL(kind=dp), INTENT(IN) :: alpha, beta, gamma
120579  REAL(kind=dp), DIMENSION(3), INTENT(IN) :: r1, r2
120580  LOGICAL, INTENT(IN) :: coulomb
120581 
120582  COMPLEX(KIND=dp) :: exp_tot
120583  INTEGER :: k, l, lco, lx, ly, lz, m, mco, mx, my, &
120584  mz, n, nco, nx, ny, nz
120585  COMPLEX(KIND=dp), DIMENSION(ncoset(n_max)) :: s_g_n
120586  COMPLEX(KIND=dp), DIMENSION(ncoset(m_max)) :: s_g_m
120587  COMPLEX(KIND=dp), DIMENSION(ncoset(l_max)) :: s_g_l
120588  REAL(kind=dp), DIMENSION(3, 0:l_max) :: g1_pow_l
120589  REAL(kind=dp), DIMENSION(3, 0:m_max) :: g2_pow_m
120590  REAL(kind=dp), DIMENSION(3, 0:n_max) :: g3_pow_n
120591 
120592  exp_tot = exp(gaussi*dot_product(g1, r1))*exp(-alpha*g1_sq)* & ! cost: 5 exp_w flops
120593  exp(-beta*g2_sq)* &
120594  exp(-gamma*g3_sq)*exp(gaussi*dot_product(g3, r2))
120595 
120596  IF (coulomb) exp_tot = exp_tot/g3_sq
120597 
120598  DO k = 1, 3
120599  g1_pow_l(k, 0) = 1.0_dp
120600  DO l = 1, l_max
120601  g1_pow_l(k, l) = g1_pow_l(k, l - 1)*g1(k)
120602  END DO
120603  g2_pow_m(k, 0) = 1.0_dp
120604  DO m = 1, m_max
120605  g2_pow_m(k, m) = g2_pow_m(k, m - 1)*g2(k)
120606  END DO
120607  g3_pow_n(k, 0) = 1.0_dp
120608  DO n = 1, n_max
120609  g3_pow_n(k, n) = g3_pow_n(k, n - 1)*g3(k)
120610  END DO
120611  END DO
120612 
120613  DO lco = 1, ncoset(l_max)
120614  CALL get_l(lco, l, lx, ly, lz)
120615  s_g_l(lco) = g1_pow_l(1, lx)*g1_pow_l(2, ly)*g1_pow_l(3, lz)*(-1.0_dp)**l*i_pow(l)
120616  END DO
120617 
120618  DO mco = 1, ncoset(m_max)
120619  CALL get_l(mco, m, mx, my, mz)
120620  s_g_m(mco) = g2_pow_m(1, mx)*g2_pow_m(2, my)*g2_pow_m(3, mz)*(-1.0_dp)**m*i_pow(m)
120621  END DO
120622 
120623  DO nco = 1, ncoset(n_max)
120624  CALL get_l(nco, n, nx, ny, nz)
120625  s_g_n(nco) = g3_pow_n(1, nx)*g3_pow_n(2, ny)*g3_pow_n(3, nz)*i_pow(n)
120626  END DO
120627 
120628  DO nco = 1, ncoset(n_max)
120629  DO mco = 1, ncoset(m_max)
120630  DO lco = 1, ncoset(l_max)
120631  s_g(lco, mco, nco) = s_g(lco, mco, nco) + & ! cost: 4 flops
120632  s_g_l(lco)*s_g_m(mco)*s_g_n(nco)* &
120633  exp_tot
120634  END DO
120635  END DO
120636  END DO
120637 
120638  END SUBROUTINE pgf_product_3c_gspace_3d
120639 
120640 ! **************************************************************************************************
120641 !> \brief Roughly estimated number of floating point operations
120642 !> \param ns_G ...
120643 !> \param ns_R ...
120644 !> \param l ...
120645 !> \param m ...
120646 !> \param n ...
120647 !> \return ...
120648 ! **************************************************************************************************
120649  PURE FUNCTION nsum_product_3c_gspace_3d(ns_G, ns_R, l, m, n)
120650  REAL(kind=dp), INTENT(IN) :: ns_g, ns_r
120651  INTEGER, INTENT(IN) :: l, m, n
120652  INTEGER(KIND=int_8) :: nsum_product_3c_gspace_3d
120653 
120654  nsum_product_3c_gspace_3d = &
120655  nint( &
120656  ns_g*( &
120657  (exp_w*2) + &
120658  ns_r*(exp_w*2 + ncoset(l + m)*7) + &
120659  3*nsum_gaussian_overlap(l, m, 1) + &
120660  ncoset(l)*ncoset(m)*(ncoset(l + m)*4 + ncoset(n)*8)), &
120661  kind=int_8)
120662  END FUNCTION
120663 
120664 ! **************************************************************************************************
120665 !> \brief ...
120666 !> \param S_G ...
120667 !> \param l_max ...
120668 !> \param m_max ...
120669 !> \param n_max ...
120670 !> \param R1 ...
120671 !> \param R2 ...
120672 !> \param alpha ...
120673 !> \param beta ...
120674 !> \param gamma ...
120675 !> \param hmat ...
120676 !> \param h_inv ...
120677 !> \param vol ...
120678 !> \param R_c ...
120679 !> \param G_c ...
120680 !> \param R_rad ...
120681 !> \param G_rad ...
120682 ! **************************************************************************************************
120683  PURE SUBROUTINE pgf_sum_product_3c_gspace_3d(S_G, l_max, m_max, n_max, R1, R2, alpha, beta, gamma, &
120684  hmat, h_inv, vol, R_c, G_c, R_rad, G_rad)
120685  REAL(kind=dp), DIMENSION(:, :, :), INTENT(OUT) :: s_g
120686  INTEGER, INTENT(IN) :: l_max, m_max, n_max
120687  REAL(kind=dp), DIMENSION(3), INTENT(IN) :: r1, r2
120688  REAL(kind=dp), INTENT(IN) :: alpha, beta, gamma
120689  REAL(kind=dp), DIMENSION(3, 3), INTENT(IN) :: hmat, h_inv
120690  REAL(kind=dp), INTENT(IN) :: vol
120691  REAL(kind=dp), DIMENSION(3), INTENT(IN) :: r_c, g_c
120692  REAL(kind=dp), INTENT(IN) :: r_rad, g_rad
120693 
120694  COMPLEX(KIND=dp) :: exp_tot
120695  INTEGER :: gx, gy, gz, k, l, lco, lnco, lx, ly, lz, &
120696  m, mco, n, nco
120697  COMPLEX(KIND=dp), &
120698  DIMENSION(ncoset(m_max), ncoset(n_max)) :: s_r
120699  COMPLEX(KIND=dp), DIMENSION(ncoset(l_max), ncoset( & m_max), ncoset(n_max)) :: s_g_c
120700  REAL(kind=dp) :: g_rad_sq, g_sq, r_rad_sq
120701  REAL(kind=dp), DIMENSION(3) :: g, g_x, g_y, g_z
120702  REAL(kind=dp), DIMENSION(3, 0:l_max) :: g_pow_l
120703  REAL(kind=dp), DIMENSION(3, 3) :: ht
120704  REAL(kind=dp), DIMENSION(ncoset(l_max)) :: s_g_c_l
120705 
120706  s_g_c(:, :, :) = 0.0_dp
120707 
120708  g_rad_sq = g_rad**2
120709  r_rad_sq = r_rad**2
120710 
120711  lnco = ncoset(l_max)
120712 
120713  ht = twopi*transpose(h_inv)
120714  DO gx = -floor(g_c(1)), floor(g_c(1))
120715  g_x = ht(:, 1)*gx
120716  DO gy = -floor(g_c(2)), floor(g_c(2))
120717  g_y = ht(:, 2)*gy
120718  DO gz = -floor(g_c(3)), floor(g_c(3))
120719  g_z = ht(:, 3)*gz
120720  g = g_x + g_y + g_z
120721  g_sq = g(1)**2 + g(2)**2 + g(3)**2
120722  IF (g_sq .GT. g_rad_sq) cycle
120723 
120724  exp_tot = exp(-alpha*g_sq)*exp(gaussi*dot_product(g, r1)) ! cost: exp_w*2 flops
120725 
120726  DO k = 1, 3
120727  g_pow_l(k, 0) = 1.0_dp
120728  DO l = 1, l_max
120729  g_pow_l(k, l) = g_pow_l(k, l - 1)*g(k)
120730  END DO
120731  END DO
120732 
120733  CALL pgf_sum_product_3c_rspace_3d(s_r, m_max, n_max, g, r2, beta, gamma, hmat, h_inv, vol, r_c, r_rad_sq)
120734 
120735  DO lco = 1, ncoset(l_max)
120736  CALL get_l(lco, l, lx, ly, lz)
120737  s_g_c_l(lco) = g_pow_l(1, lx)*g_pow_l(2, ly)*g_pow_l(3, lz)*(-1.0_dp)**l
120738  END DO
120739 
120740  DO nco = 1, ncoset(n_max)
120741  CALL get_l(nco, n)
120742  DO mco = 1, ncoset(m_max)
120743  CALL get_l(mco, m)
120744  DO lco = 1, ncoset(l_max)
120745  CALL get_l(lco, l)
120746  s_g_c(lco, mco, nco) = & ! cost: 8 flops
120747  s_g_c(lco, mco, nco) + &
120748  s_g_c_l(lco)* &
120749  exp_tot*i_pow(l + m + n)*(-1.0_dp)**m*s_r(mco, nco)
120750  END DO
120751  END DO
120752  END DO
120753  END DO
120754  END DO
120755  END DO
120756  s_g = real(s_g_c, kind=dp)/vol**2
120757 
120758  END SUBROUTINE pgf_sum_product_3c_gspace_3d
120759 
120760 ! **************************************************************************************************
120761 !> \brief ...
120762 !> \param S_R ...
120763 !> \param l_max ...
120764 !> \param m_max ...
120765 !> \param G ...
120766 !> \param R ...
120767 !> \param alpha ...
120768 !> \param beta ...
120769 !> \param hmat ...
120770 !> \param h_inv ...
120771 !> \param vol ...
120772 !> \param R_c ...
120773 !> \param R_rad_sq ...
120774 ! **************************************************************************************************
120775  PURE SUBROUTINE pgf_sum_product_3c_rspace_3d(S_R, l_max, m_max, G, R, alpha, beta, hmat, h_inv, vol, R_c, R_rad_sq)
120776  COMPLEX(KIND=dp), DIMENSION(:, :), INTENT(OUT) :: s_r
120777  INTEGER, INTENT(IN) :: l_max, m_max
120778  REAL(kind=dp), DIMENSION(3), INTENT(IN) :: g, r
120779  REAL(kind=dp), INTENT(IN) :: alpha, beta
120780  REAL(kind=dp), DIMENSION(3, 3), INTENT(IN) :: hmat, h_inv
120781  REAL(kind=dp), INTENT(IN) :: vol
120782  REAL(kind=dp), DIMENSION(3), INTENT(IN) :: r_c
120783  REAL(kind=dp), INTENT(IN) :: r_rad_sq
120784 
120785  COMPLEX(KIND=dp) :: exp_tot
120786  INTEGER :: k, l, lco, lx, ly, lz, m, mco, mx, my, &
120787  mz, sx, sy, sz, t, tco, tx, ty, tz
120788  COMPLEX(KIND=dp), DIMENSION(ncoset(l_max + m_max)) :: s_r_t
120789  REAL(kind=dp) :: c1, c2, rp_sq
120790  REAL(kind=dp), &
120791  DIMENSION(-1:l_max + m_max + 1, -1:l_max, -1:m_max) :: e1, e2, e3
120792  REAL(kind=dp), DIMENSION(3) :: r_l, r_r, rp, rx, ry, rz, s_shift
120793  REAL(kind=dp), DIMENSION(3, 0:l_max + m_max) :: r_pow_t
120794 
120795  c1 = 0.25_dp/(alpha + beta)
120796  c2 = alpha/(alpha + beta)
120797 
120798  s_r_t(:) = 0.0_dp
120799  s_r(:, :) = 0.0_dp
120800 
120801  s_shift = matmul(h_inv, r)
120802  r_l = -r_c + s_shift
120803  r_r = r_c + s_shift
120804 
120805  DO sx = ceiling(r_l(1)), floor(r_r(1))
120806  rx = hmat(:, 1)*sx
120807  DO sy = ceiling(r_l(2)), floor(r_r(2))
120808  ry = hmat(:, 2)*sy
120809  DO sz = ceiling(r_l(3)), floor(r_r(3))
120810  rz = hmat(:, 3)*sz
120811  rp = rx + ry + rz - r
120812  rp_sq = rp(1)**2 + rp(2)**2 + rp(3)**2
120813  IF (rp_sq .GT. r_rad_sq) cycle
120814 
120815  exp_tot = exp(-c1*rp_sq)*exp(-gaussi*c2*dot_product(rp, g)) ! cost: exp_w*2 flops
120816  DO k = 1, 3
120817  r_pow_t(k, 0) = 1.0_dp
120818  DO t = 1, l_max + m_max
120819  r_pow_t(k, t) = r_pow_t(k, t - 1)*rp(k)
120820  END DO
120821  END DO
120822 
120823  DO tco = 1, ncoset(l_max + m_max)
120824  CALL get_l(tco, t, tx, ty, tz)
120825  s_r_t(tco) = s_r_t(tco) + & ! cost: 7 flops
120826  r_pow_t(1, tx)*r_pow_t(2, ty)*r_pow_t(3, tz)* &
120827  (-1.0_dp)**t*i_pow(t)*exp_tot
120828  END DO
120829 
120830  END DO
120831  END DO
120832  END DO
120833 
120834  CALL create_gaussian_overlap_dist_to_hermite(l_max, m_max, alpha, beta, g(1), 0.0_dp, 1, e1)
120835  CALL create_gaussian_overlap_dist_to_hermite(l_max, m_max, alpha, beta, g(2), 0.0_dp, 1, e2)
120836  CALL create_gaussian_overlap_dist_to_hermite(l_max, m_max, alpha, beta, g(3), 0.0_dp, 1, e3)
120837 
120838  DO mco = 1, ncoset(m_max)
120839  CALL get_l(mco, m, mx, my, mz)
120840  DO lco = 1, ncoset(l_max)
120841  CALL get_l(lco, l, lx, ly, lz)
120842  DO tx = 0, lx + mx
120843  DO ty = 0, ly + my
120844  DO tz = 0, lz + mz
120845  tco = coset(tx, ty, tz)
120846  s_r(lco, mco) = s_r(lco, mco) + & ! cost: 4 flops
120847  e1(tx, lx, mx)*e2(ty, ly, my)*e3(tz, lz, mz)*s_r_t(tco)
120848 
120849  END DO
120850  END DO
120851  END DO
120852  END DO
120853  END DO
120854 
120855  s_r(:, :) = s_r(:, :)*vol/(twopi)**3*(pi/(alpha + beta))**1.5_dp
120856 
120857  END SUBROUTINE pgf_sum_product_3c_rspace_3d
120858 
120859 ! **************************************************************************************************
120860 !> \brief Roughly estimated number of floating point operations
120861 !> \param ns_R1 ...
120862 !> \param ns_R2 ...
120863 !> \param l ...
120864 !> \param m ...
120865 !> \param n ...
120866 !> \return ...
120867 ! **************************************************************************************************
120868  PURE FUNCTION nsum_3c_rspace_3d(ns_R1, ns_R2, l, m, n)
120869  REAL(kind=dp), INTENT(IN) :: ns_r1, ns_r2
120870  INTEGER, INTENT(IN) :: l, m, n
120871  INTEGER(KIND=int_8) :: nsum_3c_rspace_3d
120872 
120873  nsum_3c_rspace_3d = &
120874  nint( &
120875  ns_r1*( &
120876  ns_r2*(exp_w + ncoset(l + m + n)*4) + &
120877  3*nsum_gaussian_overlap(l, m, 2) + &
120878  ncoset(m)*ncoset(l)*( &
120879  ncoset(l + m)*2 + ncoset(n)*ncoset(l + m)*4)), &
120880  kind=int_8)
120881 
120882  END FUNCTION
120883 
120884 ! **************************************************************************************************
120885 !> \brief ...
120886 !> \param S_R ...
120887 !> \param l_max ...
120888 !> \param m_max ...
120889 !> \param n_max ...
120890 !> \param RA ...
120891 !> \param RB ...
120892 !> \param RC ...
120893 !> \param zeta ...
120894 !> \param zetb ...
120895 !> \param zetc ...
120896 !> \param a_mm ...
120897 !> \param hmat ...
120898 !> \param h_inv ...
120899 !> \param R_c ...
120900 !> \param R_rad ...
120901 ! **************************************************************************************************
120902  SUBROUTINE pgf_sum_3c_rspace_3d(S_R, l_max, m_max, n_max, RA, RB, RC, zeta, zetb, zetc, a_mm, &
120903  hmat, h_inv, R_c, R_rad)
120904  REAL(kind=dp), DIMENSION(:, :, :), INTENT(OUT) :: s_r
120905  INTEGER, INTENT(IN) :: l_max, m_max, n_max
120906  REAL(kind=dp), DIMENSION(3), INTENT(IN) :: ra, rb, rc
120907  REAL(kind=dp), INTENT(IN) :: zeta, zetb, zetc, a_mm
120908  REAL(kind=dp), DIMENSION(3, 3), INTENT(IN) :: hmat, h_inv
120909  REAL(kind=dp), DIMENSION(2, 3), INTENT(IN) :: r_c
120910  REAL(kind=dp), DIMENSION(2), INTENT(IN) :: r_rad
120911 
120912  INTEGER :: k, l, lco, lx, ly, lz, m, mco, mx, my, &
120913  mz, n, nco, nx, ny, nz, s1x, s1y, s1z, &
120914  s2x, s2y, s2z, t, tco, tnco, ttco, &
120915  ttx, tty, ttz, tx, ty, tz
120916  REAL(kind=dp) :: alpha, exp_tot, r1_sq, r_sq
120917  REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :) :: h_to_c
120918  REAL(kind=dp), &
120919  DIMENSION(-1:l_max + m_max + 1, -1:l_max, -1:m_max) :: e1, e2, e3
120920  REAL(kind=dp), DIMENSION(2) :: r_rad_sq
120921  REAL(kind=dp), DIMENSION(3) :: r, r1, r1_l, r1_r, r1_tmp, r1x, r1y, &
120922  r1z, r2_l, r2_r, r2x, r2y, r2z, &
120923  r_offset, r_tmp, s1_shift, s2_shift
120924  REAL(kind=dp), DIMENSION(3, 0:l_max + m_max + n_max) :: r_pow_t
120925  REAL(kind=dp), DIMENSION(ncoset(l_max + m_max), & ncoset(l_max), ncoset(m_max)) :: eco
120926  REAL(kind=dp), &
120927  DIMENSION(ncoset(l_max + m_max + n_max)) :: s_r_t
120928  REAL(kind=dp), DIMENSION(ncoset(l_max + m_max + n_max) & , ncoset(l_max + m_max + n_max)) :: h_to_c_tco
120929 
120930  alpha = 1.0_dp/((zeta + zetb + zetc)/((zeta + zetb)*zetc) + 4.0_dp*a_mm)
120931 
120932  eco(:, :, :) = 0.0_dp
120933  s_r(:, :, :) = 0.0_dp
120934  h_to_c_tco(:, :) = 0.0_dp
120935 
120936  r_offset = rc - (zeta*ra + zetb*rb)/(zeta + zetb)
120937 
120938  CALL create_hermite_to_cartesian(alpha, l_max + m_max + n_max, h_to_c)
120939 
120940  DO tco = 1, ncoset(l_max + m_max + n_max)
120941  CALL get_l(tco, t, tx, ty, tz)
120942  DO ttx = 0, tx
120943  DO tty = 0, ty
120944  DO ttz = 0, tz
120945  ttco = coset(ttx, tty, ttz)
120946  h_to_c_tco(ttco, tco) = h_to_c(ttx, tx)*h_to_c(tty, ty)*h_to_c(ttz, tz)
120947  END DO
120948  END DO
120949  END DO
120950  END DO
120951 
120952  s1_shift = matmul(h_inv, ra - rb)
120953  r1_l = -r_c(1, :) + s1_shift
120954  r1_r = r_c(1, :) + s1_shift
120955 
120956  r_rad_sq = r_rad**2
120957 
120958  DO s1x = ceiling(r1_l(1)), floor(r1_r(1))
120959  r1x = hmat(:, 1)*s1x
120960  DO s1y = ceiling(r1_l(2)), floor(r1_r(2))
120961  r1y = hmat(:, 2)*s1y
120962  DO s1z = ceiling(r1_l(3)), floor(r1_r(3))
120963  r1z = hmat(:, 3)*s1z
120964  r1 = r1x + r1y + r1z
120965  s_r_t(:) = 0.0_dp
120966  r1_tmp = r1 - (ra - rb)
120967  r1_sq = r1_tmp(1)**2 + r1_tmp(2)**2 + r1_tmp(3)**2
120968 
120969  IF (r1_sq .GT. r_rad_sq(1)) cycle
120970 
120971  r_tmp = r_offset + r1*zeta/(zeta + zetb)
120972  s2_shift = -matmul(h_inv, r_tmp)
120973  r2_l = -r_c(2, :) + s2_shift
120974  r2_r = r_c(2, :) + s2_shift
120975  DO s2x = ceiling(r2_l(1)), floor(r2_r(1))
120976  r2x = hmat(:, 1)*s2x
120977  DO s2y = ceiling(r2_l(2)), floor(r2_r(2))
120978  r2y = hmat(:, 2)*s2y
120979  DO s2z = ceiling(r2_l(3)), floor(r2_r(3))
120980  r2z = hmat(:, 3)*s2z
120981  r = r_tmp + r2x + r2y + r2z
120982  r_sq = r(1)**2 + r(2)**2 + r(3)**2
120983 
120984  IF (r_sq .GT. r_rad_sq(2)) cycle
120985 
120986  exp_tot = exp(-alpha*r_sq) ! cost: exp_w flops
120987  DO k = 1, 3
120988  r_pow_t(k, 0) = 1.0_dp
120989  DO t = 1, l_max + m_max + n_max
120990  r_pow_t(k, t) = r_pow_t(k, t - 1)*r(k)
120991  END DO
120992  END DO
120993  DO tco = 1, ncoset(l_max + m_max + n_max)
120994  CALL get_l(tco, t, tx, ty, tz)
120995  s_r_t(tco) = s_r_t(tco) + r_pow_t(1, tx)*r_pow_t(2, ty)*r_pow_t(3, tz)*exp_tot ! cost: 4 flops
120996  END DO
120997  END DO
120998  END DO
120999  END DO
121000 
121001  s_r_t(:) = matmul(transpose(h_to_c_tco), s_r_t)*(alpha/pi)**1.5_dp
121002 
121003  CALL create_gaussian_overlap_dist_to_hermite(l_max, m_max, zeta, zetb, ra(1) - r1(1), rb(1), 2, e1)
121004  CALL create_gaussian_overlap_dist_to_hermite(l_max, m_max, zeta, zetb, ra(2) - r1(2), rb(2), 2, e2)
121005  CALL create_gaussian_overlap_dist_to_hermite(l_max, m_max, zeta, zetb, ra(3) - r1(3), rb(3), 2, e3)
121006 
121007  DO mco = 1, ncoset(m_max)
121008  CALL get_l(mco, m, mx, my, mz)
121009  DO lco = 1, ncoset(l_max)
121010  CALL get_l(lco, l, lx, ly, lz)
121011  DO tx = 0, lx + mx
121012  DO ty = 0, ly + my
121013  DO tz = 0, lz + mz
121014  tco = coset(tx, ty, tz)
121015  eco(tco, lco, mco) = e1(tx, lx, mx)*e2(ty, ly, my)*e3(tz, lz, mz) ! cost: 2 flops
121016  END DO
121017  END DO
121018  END DO
121019  END DO
121020  END DO
121021 
121022  DO nco = 1, ncoset(n_max)
121023  CALL get_l(nco, n, nx, ny, nz)
121024  DO tco = 1, ncoset(l_max + m_max)
121025  CALL get_l(tco, t, tx, ty, tz)
121026  tnco = coset(tx + nx, ty + ny, tz + nz)
121027  s_r(:, :, nco) = s_r(:, :, nco) + & ! cost: 4 flops
121028  eco(tco, :, :)* &
121029  (-1)**n*s_r_t(tnco)
121030 
121031  END DO
121032  END DO
121033  END DO
121034  END DO
121035  END DO
121036  END SUBROUTINE pgf_sum_3c_rspace_3d
121037 
121038 ! **************************************************************************************************
121039 !> \brief Compute bounding box for ellipsoid. This is needed in order to find summation bounds for
121040 !> sphere for sums over non-orthogonal lattice vectors.
121041 !> \param s_rad sphere radius
121042 !> \param s_to_e sphere to ellipsoid trafo
121043 !> \return ...
121044 ! **************************************************************************************************
121045  PURE FUNCTION ellipsoid_bounds(s_rad, s_to_e)
121046  REAL(kind=dp), INTENT(IN) :: s_rad
121047  REAL(kind=dp), DIMENSION(3, 3), INTENT(IN) :: s_to_e
121048  REAL(kind=dp), DIMENSION(3) :: ellipsoid_bounds
121049 
121050  INTEGER :: i_xyz
121051 
121052  DO i_xyz = 1, 3
121053  ellipsoid_bounds(i_xyz) = sqrt(s_to_e(i_xyz, 1)**2 + s_to_e(i_xyz, 2)**2 + s_to_e(i_xyz, 3)**2)*s_rad
121054  END DO
121055 
121056  END FUNCTION ellipsoid_bounds
121057 
121058 ! **************************************************************************************************
121059 !> \brief Roughly estimated number of floating point operations
121060 !> \param l ...
121061 !> \param m ...
121062 !> \param H_or_C_product ...
121063 !> \return ...
121064 ! **************************************************************************************************
121065  PURE FUNCTION nsum_gaussian_overlap(l, m, H_or_C_product)
121066  INTEGER, INTENT(IN) :: l, m, h_or_c_product
121067  INTEGER :: nsum_gaussian_overlap
121068 
121069  INTEGER :: loop
121070 
121071  nsum_gaussian_overlap = exp_w
121072  loop = (m + 1)*(l + 1)*(m + l + 2)
121073  IF (h_or_c_product .EQ. 1) THEN
121074  nsum_gaussian_overlap = nsum_gaussian_overlap + loop*16
121075  ELSE
121076  nsum_gaussian_overlap = nsum_gaussian_overlap + loop*32
121077  END IF
121078  END FUNCTION
121079 
121080 ! **************************************************************************************************
121081 !> \brief ...
121082 !> \param lco ...
121083 !> \param l ...
121084 !> \param lx ...
121085 !> \param ly ...
121086 !> \param lz ...
121087 ! **************************************************************************************************
121088  PURE ELEMENTAL SUBROUTINE get_l(lco, l, lx, ly, lz)
121089  INTEGER, INTENT(IN) :: lco
121090  INTEGER, INTENT(OUT) :: l
121091  INTEGER, INTENT(OUT), OPTIONAL :: lx, ly, lz
121092 
121093  l = sum(indco(:, lco))
121094  IF (PRESENT(lx)) lx = indco(1, lco)
121095  IF (PRESENT(ly)) ly = indco(2, lco)
121096  IF (PRESENT(lz)) lz = indco(3, lco)
121097  END SUBROUTINE
121098 
121099 ! **************************************************************************************************
121100 !> \brief ...
121101 !> \param i ...
121102 !> \return ...
121103 ! **************************************************************************************************
121104  PURE ELEMENTAL FUNCTION i_pow(i)
121105  INTEGER, INTENT(IN) :: i
121106  COMPLEX(KIND=dp) :: i_pow
121107 
121108  COMPLEX(KIND=dp), DIMENSION(0:3), PARAMETER :: &
121109  ip = (/(1.0_dp, 0.0_dp), (0.0_dp, 1.0_dp), (-1.0_dp, 0.0_dp), (0.0_dp, -1.0_dp)/)
121110 
121111  i_pow = ip(mod(i, 4))
121112 
121113  END FUNCTION
121114 
121115 END MODULE eri_mme_lattice_summation
121116 
ao_util
All kind of helpful little routines.
Definition: ao_util.F:14
ao_util::exp_radius
real(kind=dp) function, public exp_radius(l, alpha, threshold, prefactor, epsabs, epsrel, rlow)
The radius of a primitive Gaussian function for a given threshold is calculated. g(r) = prefactor*r**...
Definition: ao_util.F:96
eri_mme_gaussian
Methods related to properties of Hermite and Cartesian Gaussian functions.
Definition: eri_mme_gaussian.F:15
eri_mme_gaussian::create_gaussian_overlap_dist_to_hermite
pure subroutine, public create_gaussian_overlap_dist_to_hermite(l, m, a, b, R1, R2, H_or_C_product, E)
Expand 1d product of cartesian (or hermite) gaussians into single hermite gaussians: Find E_t^{lm} s....
Definition: eri_mme_gaussian.F:194
eri_mme_gaussian::create_hermite_to_cartesian
pure subroutine, public create_hermite_to_cartesian(zet, l_max, h_to_c)
Create matrix to transform between cartesian and hermite gaussian basis functions.
Definition: eri_mme_gaussian.F:51
eri_mme_gaussian::eri_mme_longrange
integer, parameter, public eri_mme_longrange
Definition: eri_mme_gaussian.F:29
eri_mme_gaussian::eri_mme_coulomb
integer, parameter, public eri_mme_coulomb
Definition: eri_mme_gaussian.F:29
eri_mme_gaussian::eri_mme_yukawa
integer, parameter, public eri_mme_yukawa
Definition: eri_mme_gaussian.F:29
eri_mme_lattice_summation
Ewald sums to represent integrals in direct and reciprocal lattice.
Definition: eri_mme_lattice_summation.F:15
eri_mme_lattice_summation::pgf_sum_3c_1d
subroutine, public pgf_sum_3c_1d(S_G, RA, RB, RC, zeta, zetb, zetc, a_mm, lgth, R_bounds_3)
Compute Ewald-like sum for 3-center integrals in 1 dimension S_G(l, m, n, alpha, beta,...
Definition: eri_mme_lattice_summation.F:736
eri_mme_lattice_summation::pgf_sum_2c_rspace_1d
pure subroutine, public pgf_sum_2c_rspace_1d(S_R, R, alpha, lgth, R_c)
Compute Ewald-like sum for 2-center ERIs in R space in 1 dimension S_R(l, alpha) = SQRT(alpha/pi) sum...
Definition: eri_mme_lattice_summation.F:514
eri_mme_lattice_summation::pgf_sum_3c_3d
subroutine, public pgf_sum_3c_3d(S_G, la_max, lb_max, lc_max, RA, RB, RC, zeta, zetb, zetc, a_mm, hmat, h_inv, vol, G_bounds_1, R_bounds_2, R_bounds_3, G_rads_1, R_rads_2, R_rads_3, method, method_out, order)
As pgf_sum_3c_1d but 3d sum required for non-orthorhombic cells.
Definition: eri_mme_lattice_summation.F:120272
eri_mme_lattice_summation::get_l
pure elemental subroutine, public get_l(lco, l, lx, ly, lz)
...
Definition: eri_mme_lattice_summation.F:121093
eri_mme_lattice_summation::eri_mme_3c_get_bounds
subroutine, public eri_mme_3c_get_bounds(hmat, h_inv, vol, is_ortho, G_min, R_min, la_max, lb_max, lc_max, zeta, zetb, zetc, a_mm, sum_precision, n_sum_1d, n_sum_3d, G_bounds_1, G_rads_1, R_bounds_2, R_rads_2, R_bounds_3, R_rads_3)
Get summation bounds for 3c integrals.
Definition: eri_mme_lattice_summation.F:244
eri_mme_lattice_summation::eri_mme_2c_get_bounds
subroutine, public eri_mme_2c_get_bounds(hmat, h_inv, vol, is_ortho, G_min, R_min, la_max, lb_max, zeta, zetb, a_mm, sum_precision, n_sum_1d, n_sum_3d, G_bounds, G_rad, R_bounds, R_rad)
Get summation bounds for 2c integrals.
Definition: eri_mme_lattice_summation.F:177
eri_mme_lattice_summation::pgf_sum_2c_gspace_1d
pure subroutine, public pgf_sum_2c_gspace_1d(S_G, R, alpha, inv_lgth, G_c)
Compute Ewald-like sum for 2-center ERIs in G space in 1 dimension S_G(l, alpha) = (-i)^l*inv_lgth*su...
Definition: eri_mme_lattice_summation.F:359
eri_mme_lattice_summation::eri_mme_3c_get_rads
subroutine, public eri_mme_3c_get_rads(la_max, lb_max, lc_max, zeta, zetb, zetc, a_mm, G_min, R_min, sum_precision, G_rads_1, R_rads_2, R_rads_3)
Get summation radii for 3c integrals.
Definition: eri_mme_lattice_summation.F:111
eri_mme_lattice_summation::eri_mme_2c_get_rads
subroutine, public eri_mme_2c_get_rads(la_max, lb_max, zeta, zetb, a_mm, G_min, R_min, sum_precision, G_rad, R_rad)
Get summation radii for 2c integrals.
Definition: eri_mme_lattice_summation.F:73
eri_mme_lattice_summation::pgf_sum_2c_gspace_1d_deltal
pure subroutine, public pgf_sum_2c_gspace_1d_deltal(S_G, alpha, inv_lgth, G_min, G_c, delta_l, prefactor)
Compute 1d sum S_G(l, alpha) = inv_lgth*sum_G( C(l, alpha, delta_l, G) ) with C(l,...
Definition: eri_mme_lattice_summation.F:656
eri_mme_lattice_summation::ellipsoid_bounds
pure real(kind=dp) function, dimension(3), public ellipsoid_bounds(s_rad, s_to_e)
Compute bounding box for ellipsoid. This is needed in order to find summation bounds for sphere for s...
Definition: eri_mme_lattice_summation.F:121050
eri_mme_lattice_summation::pgf_sum_2c_gspace_3d
pure subroutine, public pgf_sum_2c_gspace_3d(S_G, l_max, R, alpha, h_inv, G_c, G_rad, vol, potential, pot_par)
As pgf_sum_2c_gspace_1d but 3d sum required for non-orthorhombic cells.
Definition: eri_mme_lattice_summation.F:414
eri_mme_lattice_summation::pgf_sum_2c_rspace_3d
pure subroutine, public pgf_sum_2c_rspace_3d(S_R, l_max, R, alpha, hmat, h_inv, R_c, R_rad)
As pgf_sum_2c_rspace_1d but 3d sum required for non-orthorhombic cells.
Definition: eri_mme_lattice_summation.F:570
gamma
Calculation of the incomplete Gamma function F_n(t) for multi-center integrals over Cartesian Gaussia...
Definition: gamma.F:15
kinds
Defines the basic variable types.
Definition: kinds.F:23
kinds::int_8
integer, parameter, public int_8
Definition: kinds.F:54
kinds::dp
integer, parameter, public dp
Definition: kinds.F:34
mathconstants
Definition of mathematical constants and functions.
Definition: mathconstants.F:16
mathconstants::pi
real(kind=dp), parameter, public pi
Definition: mathconstants.F:110
mathconstants::gaussi
complex(kind=dp), parameter, public gaussi
Definition: mathconstants.F:142
mathconstants::twopi
real(kind=dp), parameter, public twopi
Definition: mathconstants.F:112
orbital_pointers
Provides Cartesian and spherical orbital pointers and indices.
Definition: orbital_pointers.F:15
orbital_pointers::ncoset
integer, dimension(:), allocatable, public ncoset
Definition: orbital_pointers.F:42
orbital_pointers::coset
integer, dimension(:, :, :), allocatable, public coset
Definition: orbital_pointers.F:45
orbital_pointers::indco
integer, dimension(:, :), allocatable, public indco
Definition: orbital_pointers.F:43